data_r5uf0sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-06-28 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5uf0 
_cell.length_a      57.0490 
_cell.length_b      73.0300 
_cell.length_c      33.5960 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.350 
_diffrn_reflns.pdbx_d_res_low    44.958 
_diffrn_reflns.limit_h_max       42 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       54 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       24 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            31596 
_diffrn_reflns.pdbx_number_obs   30953 
# 
_entry.id   5uf0 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5uf0 
_symmetry.space_group_name_H-M   "P 21 21 2" 
_symmetry.Int_Tables_number      18 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"           
2 "-X,  -Y,  Z"         
3 "X+1/2,  -Y+1/2,  -Z" 
4 "-X+1/2,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 0  0  1  o 474.6356 11.39025  2260.281       107.9861  2260.281       107.9861  2260.281       107.9861  0.000000       0.000000  
1 1 1 0  0  2  o 150.7144 2.564638  226.4923       7.691627  239.6431       11.49361  215.8260       10.35109  0.000000       0.000000  
1 1 1 0  0  3  o 173.2131 2.947631  300.5516       10.19665  303.7477       14.57599  297.4886       14.26937  0.000000       0.000000  
1 1 1 0  0  4  o 253.2164 4.303564  642.4835       21.76366  649.0691       31.09348  636.1583       30.47283  0.000000       0.000000  
1 1 1 0  0  5  o 189.4021 3.230623  359.1779       12.21311  351.1158       16.88866  368.0158       17.68256  0.000000       0.000000  
1 1 1 0  0  6  o 529.8951 9.014097  2819.509       95.33671  2888.539       138.0777  2756.619       131.7945  0.000000       0.000000  
1 1 1 0  0  7  o 79.83842 2.063066  63.87329       3.289365  63.87329       3.289365  63.87329       3.289365  0.000000       0.000000  
1 1 1 0  0  8  o 265.3817 4.526378  705.8076       23.99325  703.9764       33.88016  707.6499       33.98323  0.000000       0.000000  
1 1 1 0  0  9  o 12.25603 5.830083  2.212917       1.617947  2.212917       1.617947  2.212917       1.617947  0.000000       0.000000  
1 1 1 0  0  10 o 389.1980 6.628432  1517.008       51.45648  1470.888       70.54776  1569.434       75.21740  0.000000       0.000000  
1 1 1 0  0  11 o 30.06013 2.040261  9.440302       1.140436  8.788870       1.909072  9.801761       1.422060  0.000000       0.000000  
1 1 1 0  0  12 o 183.4651 3.179308  337.4207       11.64861  332.0369       16.30612  343.0315       16.64640  0.000000       0.000000  
1 1 1 0  0  13 o 212.1394 5.165513  451.5750       21.88734  451.5750       21.88734  451.5750       21.88734  0.000000       0.000000  
1 1 1 0  0  14 f 247.9531 4.280095  617.8477       21.19410  621.6369       30.26996  614.2036       29.68457  0.000000       0.000000  
1 1 1 0  0  15 o 73.15470 1.810586  53.63234       2.570632  54.25104       4.154257  53.24843       3.272385  0.000000       0.000000  
1 1 1 0  0  16 f 94.05484 1.996887  89.11668       3.734916  82.54366       5.370520  95.27338       5.197659  0.000000       0.000000  
1 1 1 0  0  17 o 47.24286 2.124845  19.22242       1.608727  28.77528       3.858712  17.21271       1.769876  0.000000       0.000000  
1 1 1 0  0  18 o 39.57039 2.738894  15.64502       1.774115  17.17242       3.799997  15.21930       2.006181  0.000000       0.000000  
1 1 1 0  0  19 o 72.95888 2.070075  54.52650       2.883893  50.81583       4.726563  56.72718       3.639951  0.000000       0.000000  
1 1 1 0  0  20 o 45.56381 2.776685  21.15561       2.022694  21.95560       4.428634  20.94473       2.273699  0.000000       0.000000  
1 1 1 0  0  21 o 10.44442 4.917626  0.3459203      1.729413  0.5024110E-02  5.162779  0.3890069      1.835454  0.000000       0.000000  
1 1 1 0  0  22 o 57.59363 4.928551  34.98290       5.597327  34.98290       5.597327  34.98290       5.597327  0.000000       0.000000  
1 1 1 0  0  23 o 8.586063 5.544634  0.3590860      2.148521  0.3590860      2.148521  0.3590860      2.148521  0.000000       0.000000  
1 1 1 0  0  24 o 48.25074 1.737939  23.60695       1.672385  23.60695       1.672385  23.60695       1.672385  0.000000       0.000000  
1 1 1 0  1  1  o 167.4722 2.007947  280.2551       6.711602  289.9345       9.812778  271.7467       9.200098  0.000000       0.000000  
1 1 1 0  1  2  o 231.0853 2.773976  534.6003       12.81119  539.5403       18.26084  529.8121       17.97800  0.000000       0.000000  
1 1 1 0  1  3  o 49.59163 0.8241940 25.05809       0.7743919 23.25551       1.297815  26.05471       0.9650070 0.000000       0.000000  
1 1 1 0  1  4  o 336.9406 4.039634  1137.213       27.20475  1135.392       38.41299  1139.045       38.53394  0.000000       0.000000  
1 1 1 0  1  5  o 134.4822 1.635995  180.5569       4.388079  188.4553       6.464140  173.8065       5.975935  0.000000       0.000000  
1 1 1 0  1  6  o 357.6989 4.299591  1280.636       30.70333  1245.521       42.20828  1320.099       44.74479  0.000000       0.000000  
1 1 1 0  1  7  o 187.0760 3.200784  350.3859       11.96796  350.3859       11.96796  350.3859       11.96796  0.000000       0.000000  
1 1 1 0  1  8  o 655.3543 7.870149  4307.530       103.0428  4231.863       143.1812  4388.823       148.4084  0.000000       0.000000  
1 1 1 0  1  9  f 561.5050 8.268060  3174.609       87.69896  3187.856       107.8673  3148.778       150.6268  0.000000       0.000000  
1 1 1 0  1  10 o 133.0101 1.667990  176.9436       4.431602  171.8984       6.143249  182.4178       6.399040  0.000000       0.000000  
1 1 1 0  1  11 o 345.5836 4.165106  1197.825       28.76781  1203.059       40.91624  1192.708       40.45531  0.000000       0.000000  
1 1 1 0  1  12 o 284.3747 4.233467  806.2671       22.44539  795.5043       27.14440  829.5360       39.91240  0.000000       0.000000  
1 1 1 0  1  13 o 94.52007 1.789292  89.47205       3.379775  89.47205       3.379775  89.47205       3.379775  0.000000       0.000000  
1 1 1 0  1  14 o 63.95250 1.172011  41.01571       1.471708  40.92408       2.299869  41.07924       1.915163  0.000000       0.000000  
1 1 1 0  1  15 o 40.72343 2.069485  14.63336       1.203877  20.26556       3.288080  13.76147       1.293710  0.000000       0.000000  
1 1 1 0  1  16 o 9.914916 3.960606  1.169943       1.007014  1.795843       2.176152  0.9993931      1.135957  0.000000       0.000000  
1 1 1 0  1  17 o 28.80850 2.518873  8.615485       1.399901  9.418433       2.176392  8.048839       1.828310  0.000000       0.000000  
1 1 1 0  1  18 o 92.39432 1.495509  85.24859       2.681318  88.00385       4.373806  83.58966       3.393850  0.000000       0.000000  
1 1 1 0  1  19 o 33.47889 2.649599  13.74894       1.275799  8.428082       2.485747  15.65183       1.486527  0.000000       0.000000  
1 1 1 0  1  20 o 40.46776 2.279883  16.93541       1.375304  16.92085       3.266634  16.93855       1.516232  0.000000       0.000000  
1 1 1 0  1  21 o 64.70103 1.815227  42.31878       1.992102  43.16428       4.089326  42.05570       2.281067  0.000000       0.000000  
1 1 1 0  1  22 o 11.77557 7.308102  1.848047       3.348478  1.848047       3.348478  1.848047       3.348478  0.000000       0.000000  
1 1 1 0  1  23 o 83.24226 1.951621  70.64400       3.245179  70.64400       3.245179  70.64400       3.245179  0.000000       0.000000  
1 1 1 0  1  24 o 10.28517 3.431647  1.973362       0.9914836 -2.508714      3.230778  2.439371       1.041752  0.000000       0.000000  
1 1 1 0  2  0  o 345.2112 5.859342  1189.719       40.26756  1136.744       54.33736  1254.251       59.97261  0.000000       0.000000  
1 1 1 0  2  1  o 79.82223 0.9740282 63.75444       1.553520  62.91914       2.166701  64.63817       2.228624  0.000000       0.000000  
1 1 1 0  2  2  o 75.59885 1.133819  57.76447       1.641563  55.32594       2.713444  59.17216       2.061630  0.000000       0.000000  
1 1 1 0  2  3  o 239.1734 2.876329  572.4789       13.74502  582.7034       19.76129  562.8964       19.13082  0.000000       0.000000  
1 1 1 0  2  4  o 248.5375 2.988103  618.2544       14.83838  608.4866       20.65894  628.6634       21.32626  0.000000       0.000000  
1 1 1 0  2  5  o 171.9177 2.076854  295.9280       7.136293  295.4046       10.08374  296.4533       10.10077  0.000000       0.000000  
1 1 1 0  2  6  o 201.4808 2.430420  406.3255       9.784190  400.2245       13.63137  412.8088       14.05208  0.000000       0.000000  
1 1 1 0  2  7  o 187.1850 3.202725  350.7935       11.98220  350.7935       11.98220  350.7935       11.98220  0.000000       0.000000  
1 1 1 0  2  8  o 272.4949 4.050876  730.5432       20.27595  778.1633       37.36284  710.6652       24.13971  0.000000       0.000000  
1 1 1 0  2  9  o 233.2987 3.444817  548.7053       15.29872  556.6676       19.02349  534.1280       25.73998  0.000000       0.000000  
1 1 1 0  2  10 o 92.60783 1.251818  85.89832       2.315195  84.84531       3.322097  86.89268       3.228279  0.000000       0.000000  
1 1 1 0  2  11 o 53.17841 1.314245  27.81240       1.361047  25.91155       1.721807  30.97849       2.222144  0.000000       0.000000  
1 1 1 0  2  12 o 123.7729 1.947403  150.8908       4.495183  146.3903       5.417057  160.8430       8.055433  0.000000       0.000000  
1 1 1 0  2  13 o 140.3511 2.471724  197.3186       6.933375  197.3186       6.933375  197.3186       6.933375  0.000000       0.000000  
1 1 1 0  2  14 o 51.50523 1.261965  26.99468       1.222820  25.54298       2.083066  27.75797       1.510465  0.000000       0.000000  
1 1 1 0  2  15 o 173.6445 2.172575  302.4131       7.537753  301.9301       10.78283  302.8747       10.54126  0.000000       0.000000  
1 1 1 0  2  16 o 54.73727 1.493517  31.53908       1.510712  26.05818       2.549375  34.50531       1.875472  0.000000       0.000000  
1 1 1 0  2  17 o 40.59572 2.091041  16.71113       1.674809  18.22863       2.481931  15.44241       2.269389  0.000000       0.000000  
1 1 1 0  2  18 o 15.34593 3.777958  3.513442       1.100488  2.027708       2.247144  3.982192       1.262208  0.000000       0.000000  
1 1 1 0  2  19 o 48.13426 1.699906  24.39514       1.458947  21.37258       2.653392  25.70491       1.746680  0.000000       0.000000  
1 1 1 0  2  20 o 79.26861 1.645077  63.67261       2.359528  63.09814       4.370730  63.90889       2.803079  0.000000       0.000000  
1 1 1 0  2  21 o 9.471822 4.288349  0.5664024      1.240680  1.610820       3.322348  0.3971522      1.337435  0.000000       0.000000  
1 1 1 0  2  22 o 54.47656 2.478144  32.95852       1.697373  28.44870       4.738159  33.62248       1.818033  0.000000       0.000000  
1 1 1 0  2  23 o 6.658641 3.937817  0.6053295      0.8848714 0.6053295      0.8848714 0.6053295      0.8848714 0.000000       0.000000  
1 1 1 0  2  24 o 25.26563 4.272510  9.910819       1.151710  6.984091       3.268018  10.32586       1.230667  0.000000       0.000000  
1 1 1 0  3  1  o 127.7726 1.547142  163.4211       3.951054  163.5262       5.587067  163.3160       5.588202  0.000000       0.000000  
1 1 1 0  3  2  o 498.8247 5.989435  2494.682       59.71501  2496.884       84.51038  2492.487       84.38931  0.000000       0.000000  
1 1 1 0  3  3  o 366.5660 5.071745  1351.361       32.34786  1337.714       63.95831  1356.052       37.49731  0.000000       0.000000  
1 1 1 0  3  4  o 55.54205 0.7872915 30.83420       0.8728868 29.73288       1.201788  32.06395       1.269925  0.000000       0.000000  
1 1 1 0  3  5  o 252.7075 3.748809  632.0065       17.53241  618.7822       21.02918  662.1528       31.75066  0.000000       0.000000  
1 1 1 0  3  6  o 79.70537 1.045497  63.58981       1.665193  62.84663       2.335180  64.35868       2.375207  0.000000       0.000000  
1 1 1 0  3  7  o 283.8078 4.827713  806.6982       27.38513  806.6982       27.38513  806.6982       27.38513  0.000000       0.000000  
1 1 1 0  3  8  o 261.2857 3.880670  674.2508       18.72421  709.5369       34.08147  658.9956       22.40911  0.000000       0.000000  
1 1 1 0  3  9  o 338.1500 4.066565  1144.462       27.46487  1171.144       39.75324  1120.094       37.98917  0.000000       0.000000  
1 1 1 0  3  10 o 184.3268 2.255155  339.7063       8.299490  329.9694       11.42486  350.5861       12.07676  0.000000       0.000000  
1 1 1 0  3  11 o 34.71413 1.335900  12.26755       0.8808756 11.78669       1.463860  12.54051       1.102907  0.000000       0.000000  
1 1 1 0  3  12 o 152.1754 2.313871  232.3786       6.685861  232.9375       8.264515  231.3200       11.37379  0.000000       0.000000  
1 1 1 0  3  13 o 200.1636 3.450276  401.6193       13.80322  401.6193       13.80322  401.6193       13.80322  0.000000       0.000000  
1 1 1 0  3  14 o 31.96794 1.629826  10.38109       0.9249057 10.40199       1.742666  10.37289       1.091291  0.000000       0.000000  
1 1 1 0  3  15 o 38.25894 1.720354  16.06576       1.144592  12.09019       2.046129  17.87638       1.380852  0.000000       0.000000  
1 1 1 0  3  16 o 70.47677 1.341748  50.34386       1.832068  47.58603       2.928834  52.11659       2.348198  0.000000       0.000000  
1 1 1 0  3  17 f 131.8724 2.197770  170.3480       5.404960  162.6168       6.493802  187.7806       9.751204  0.000000       0.000000  
1 1 1 0  3  18 o 9.529640 3.834944  1.217149       1.035575  1.175040       2.017433  1.232214       1.206680  0.000000       0.000000  
1 1 1 0  3  19 o 16.73655 3.880682  4.125098       1.163248  2.559262       2.441529  4.584916       1.323067  0.000000       0.000000  
1 1 1 0  3  20 o 15.47453 3.465068  3.852757       0.7608182 1.638927       2.520933  4.074607       0.7980294 0.000000       0.000000  
1 1 1 0  3  21 f 21.41601 4.942685  4.821276       0.8968154 7.706642       4.389565  4.695591       0.9161395 0.000000       0.000000  
1 1 1 0  3  22 o 9.741575 4.474994  0.5468512      0.9916036 2.442921       3.949545  0.4192917      1.024416  0.000000       0.000000  
1 1 1 0  3  23 o 6.147599 3.850064  0.3516671      0.9519432 0.3516671      0.9519432 0.3516671      0.9519432 0.000000       0.000000  
1 1 1 0  3  24 o 11.15615 4.205290  2.036369       1.025738  2.584611       2.908494  1.958495       1.096169  0.000000       0.000000  
1 1 1 0  4  0  o 326.9900 5.552484  1071.512       36.25613  1087.017       51.99794  1056.843       50.57930  0.000000       0.000000  
1 1 1 0  4  1  o 192.7368 2.318754  371.8934       8.932384  371.6692       12.61956  372.1185       12.64507  0.000000       0.000000  
1 1 1 0  4  2  o 369.2290 4.434048  1364.953       32.70609  1342.077       45.40223  1389.627       47.15430  0.000000       0.000000  
1 1 1 0  4  3  o 486.1462 5.830119  2369.157       56.64824  2378.513       80.41965  2359.943       79.80924  0.000000       0.000000  
1 1 1 0  4  4  o 16.65875 1.174760  3.016178       0.3421516 2.490109       0.6109781 3.256534       0.4129830 0.000000       0.000000  
1 1 1 0  4  5  o 91.76169 1.630806  84.28499       2.986374  86.77490       4.329202  82.02447       4.124940  0.000000       0.000000  
1 1 1 0  4  6  o 668.9276 8.046061  4498.907       107.5546  4446.696       150.3497  4553.629       153.9238  0.000000       0.000000  
1 1 1 0  4  7  o 124.6676 1.949752  153.4313       4.447218  161.2594       8.225316  150.1976       5.286555  0.000000       0.000000  
1 1 1 0  4  8  o 372.8051 5.493407  1390.604       38.46886  1401.556       67.10838  1385.244       46.94812  0.000000       0.000000  
1 1 1 0  4  9  o 452.4860 5.441267  2052.106       49.20152  2026.481       68.80344  2078.924       70.38647  0.000000       0.000000  
1 1 1 0  4  10 o 6.476836 2.803532  0.3289964      0.7051595 -0.2218632     1.128866  0.6814855      0.9030143 0.000000       0.000000  
1 1 1 0  4  11 o 24.16730 1.722682  5.710836       0.7950063 7.607026       1.315991  4.621127       0.9976247 0.000000       0.000000  
1 1 1 0  4  12 o 77.52490 1.174761  60.03197       1.799800  61.31739       2.769604  59.09236       2.367937  0.000000       0.000000  
1 1 1 0  4  13 o 365.6663 5.413614  1365.168       37.95065  1289.358       62.28890  1409.923       47.85922  0.000000       0.000000  
1 1 1 0  4  14 o 30.76569 1.746059  9.667131       0.9943734 9.627804       1.731776  9.686475       1.214546  0.000000       0.000000  
1 1 1 0  4  15 o 153.3296 1.955921  235.6517       5.986908  237.0350       8.686627  234.4000       8.262796  0.000000       0.000000  
1 1 1 0  4  16 o 23.34414 3.112446  6.356252       1.062504  5.390424       2.089914  6.692899       1.233858  0.000000       0.000000  
1 1 1 0  4  17 f 57.19273 1.783418  32.65988       2.020173  29.80054       2.690490  36.35543       3.058712  0.000000       0.000000  
1 1 1 0  4  18 o 118.2588 1.986292  141.6677       4.370180  138.7890       7.698953  143.0362       5.308244  0.000000       0.000000  
1 1 1 0  4  19 o 92.73184 1.768940  85.42884       2.485703  88.97626       5.993031  84.69179       2.731757  0.000000       0.000000  
1 1 1 0  4  20 o 17.48031 4.379822  2.766066       0.7898618 5.929799       3.225786  2.564283       0.8146610 0.000000       0.000000  
1 1 1 0  4  21 o 60.71338 2.069812  41.49685       1.874552  32.04126       4.196540  43.85384       2.095200  0.000000       0.000000  
1 1 1 0  4  22 o 28.91889 4.538456  9.817028       1.144297  10.46560       4.223444  9.765647       1.188761  0.000000       0.000000  
1 1 1 0  4  23 o 22.93521 2.249212  5.532290       1.013555  5.532290       1.013555  5.532290       1.013555  0.000000       0.000000  
1 1 1 0  4  24 o 10.40001 3.820538  2.019469       1.103824  0.1911650      2.807574  2.353748       1.200500  0.000000       0.000000  
1 1 1 0  5  1  o 247.2547 2.974692  612.1088       14.70020  615.9785       20.88487  608.3092       20.69489  0.000000       0.000000  
1 1 1 0  5  2  o 691.2031 8.301877  4791.078       114.5782  4667.445       157.8572  4928.735       166.5697  0.000000       0.000000  
1 1 1 0  5  3  o 165.3728 2.002539  273.7674       6.618792  274.8099       9.401219  272.7427       9.320078  0.000000       0.000000  
1 1 1 0  5  4  o 19.90236 1.386988  4.072867       0.5418971 4.278721       0.7773687 3.878277       0.7558027 0.000000       0.000000  
1 1 1 0  5  5  o 142.1768 2.455267  200.2066       6.909818  220.2069       10.67118  185.7662       9.067442  0.000000       0.000000  
1 1 1 0  5  6  o 323.4500 4.787777  1038.400       28.74724  1078.492       51.66186  1020.418       34.59850  0.000000       0.000000  
1 1 1 0  5  7  o 130.9716 2.300748  171.7186       6.022501  171.7186       6.022501  171.7186       6.022501  0.000000       0.000000  
1 1 1 0  5  8  o 435.0917 6.035898  1899.412       45.49638  1895.496       90.72461  1900.727       52.58661  0.000000       0.000000  
1 1 1 0  5  9  o 203.0063 2.478631  412.6119       10.05659  408.7570       14.16987  416.5242       14.27504  0.000000       0.000000  
1 1 1 0  5  10 o 71.82873 1.289768  51.25961       1.752652  53.06720       3.030706  50.35135       2.148317  0.000000       0.000000  
1 1 1 0  5  11 o 148.0933 2.261879  220.7183       6.388050  222.9959       7.951937  216.5739       10.72665  0.000000       0.000000  
1 1 1 0  5  12 o 266.5619 3.231467  712.6404       17.21637  711.0493       24.34870  714.2313       24.34654  0.000000       0.000000  
1 1 1 0  5  13 o 239.3867 3.600836  577.9744       16.22913  569.2471       28.00758  582.3859       19.91294  0.000000       0.000000  
1 1 1 0  5  14 o 256.5361 3.137585  660.9680       16.08684  653.9445       22.67559  668.0847       22.82561  0.000000       0.000000  
1 1 1 0  5  15 o 92.04975 1.361894  85.13439       2.494698  82.07400       3.657170  87.79771       3.411681  0.000000       0.000000  
1 1 1 0  5  16 f 113.3181 1.753263  132.7861       3.497075  120.3309       6.630368  137.5862       4.116159  0.000000       0.000000  
1 1 1 0  5  17 o 229.8975 3.526261  524.3851       14.77886  562.6367       27.60071  509.0097       17.49878  0.000000       0.000000  
1 1 1 0  5  18 o 11.01907 3.762686  1.893960       1.096138  -0.2026240     2.387428  2.453969       1.233876  0.000000       0.000000  
1 1 1 0  5  19 o 9.882613 3.679857  1.352564       0.7583245 0.8647500      2.373894  1.407999       0.8002535 0.000000       0.000000  
1 1 1 0  5  20 o 12.74076 3.175669  2.747664       0.7919393 -1.797467      3.178530  3.048487       0.8177270 0.000000       0.000000  
1 1 1 0  5  21 o 71.36842 2.038188  50.06739       2.576736  56.38245       5.072561  47.87114       2.991433  0.000000       0.000000  
1 1 1 0  5  22 o 7.383407 3.529372  0.1799289      0.9757327 -2.344245      3.419071  0.4037278      1.018070  0.000000       0.000000  
1 1 1 0  5  23 o 24.62466 2.179563  6.340325       1.057459  6.340325       1.057459  6.340325       1.057459  0.000000       0.000000  
1 1 1 0  5  24 f 30.38122 3.951633  14.58692       1.303933  7.430278       2.967920  16.29873       1.451525  0.000000       0.000000  
1 1 1 0  6  0  o 94.51473 1.663697  89.39700       3.137798  91.90394       4.554543  87.13214       4.329070  0.000000       0.000000  
1 1 1 0  6  1  o 481.8625 5.780630  2326.305       55.64990  2368.781       80.12138  2286.714       77.35327  0.000000       0.000000  
1 1 1 0  6  2  o 35.12220 0.6639478 12.35886       0.4655653 12.04671       0.6527197 12.68213       0.6642494 0.000000       0.000000  
1 1 1 0  6  3  o 374.3232 4.494429  1403.697       33.62250  1415.217       47.94882  1392.554       47.15977  0.000000       0.000000  
1 1 1 0  6  4  o 91.98422 1.422214  84.90289       2.477915  84.24954       4.233578  85.24335       3.056074  0.000000       0.000000  
1 1 1 0  6  5  o 5.120816 2.078505  0.3390126      0.3306120 0.3210031      0.5156466 0.3515839      0.4308169 0.000000       0.000000  
1 1 1 0  6  6  f 210.5996 3.132625  439.8006       12.25839  456.8406       21.99350  432.1215       14.76437  0.000000       0.000000  
1 1 1 0  6  7  o 236.4504 3.324464  550.4677       13.30281  578.1564       27.80740  542.2503       15.14873  0.000000       0.000000  
1 1 1 0  6  8  o 85.13100 1.418496  72.65611       2.310978  72.40281       3.864531  72.79710       2.883322  0.000000       0.000000  
1 1 1 0  6  9  f 25.51065 1.742641  7.056413       0.8003675 5.674037       1.350171  7.805358       0.9938042 0.000000       0.000000  
1 1 1 0  6  10 f 46.74248 1.269345  21.75212       1.164085  23.01961       1.837322  20.90211       1.504610  0.000000       0.000000  
1 1 1 0  6  11 o 58.21488 1.276426  33.37726       1.382866  35.69162       2.484452  32.33839       1.664549  0.000000       0.000000  
1 1 1 0  6  12 o 109.4268 1.740945  120.4575       3.620381  118.4935       6.127757  121.5106       4.487302  0.000000       0.000000  
1 1 1 0  6  13 o 261.4219 3.656143  685.0516       19.10754  685.0516       19.10754  685.0516       19.10754  0.000000       0.000000  
1 1 1 0  6  14 o 11.34406 3.464128  1.732975       0.7122886 1.869256       1.612121  1.699917       0.7939926 0.000000       0.000000  
1 1 1 0  6  15 o 97.11784 1.562008  95.57501       2.612447  92.57718       5.213112  96.58034       3.018871  0.000000       0.000000  
1 1 1 0  6  16 o 146.6088 2.192625  208.5308       5.281282  228.7885       11.62169  203.2587       5.928823  0.000000       0.000000  
1 1 1 0  6  17 o 25.35342 2.647508  6.086903       0.9586513 8.038063       2.376157  5.707571       1.047702  0.000000       0.000000  
1 1 1 0  6  18 o 61.62850 1.492922  36.02267       1.347320  41.58273       3.472093  35.03704       1.461871  0.000000       0.000000  
1 1 1 0  6  19 o 17.57826 3.739274  4.087475       0.7927775 3.582889       2.438813  4.147094       0.8383051 0.000000       0.000000  
1 1 1 0  6  20 o 35.78197 2.673707  16.67158       1.054046  9.662294       2.785813  17.84266       1.138699  0.000000       0.000000  
1 1 1 0  6  21 o 8.692530 3.929238  0.7231829      0.9424481 -0.5233294     3.533139  0.8186703      0.9778796 0.000000       0.000000  
1 1 1 0  6  22 o 10.63786 4.319314  1.442421       0.9638897 1.779911       3.396477  1.412860       1.005218  0.000000       0.000000  
1 1 1 0  6  23 o 3.912093 2.817174  -1.233421      0.9589304 -1.233421      0.9589304 -1.233421      0.9589304 0.000000       0.000000  
1 1 1 0  6  24 o 10.11797 4.016807  1.820614       1.097197  1.251983       2.907850  1.915011       1.184774  0.000000       0.000000  
1 1 1 0  7  1  o 424.9131 5.098119  1809.264       43.29705  1806.341       61.11709  1812.210       61.34612  0.000000       0.000000  
1 1 1 0  7  2  o 318.9091 3.830227  1018.552       24.41262  1025.842       34.75978  1011.457       34.29424  0.000000       0.000000  
1 1 1 0  7  3  o 339.8516 5.005857  1158.285       32.05003  1157.994       55.47289  1158.431       39.26706  0.000000       0.000000  
1 1 1 0  7  4  o 187.8454 2.799730  350.7197       9.787892  345.8304       11.81532  361.4140       17.47441  0.000000       0.000000  
1 1 1 0  7  5  o 268.0756 3.231735  719.2396       17.30332  703.2879       23.92974  736.7197       25.04985  0.000000       0.000000  
1 1 1 0  7  6  o 272.1363 4.641886  741.7200       25.24809  741.7200       25.24809  741.7200       25.24809  0.000000       0.000000  
1 1 1 0  7  7  o 150.6389 2.626093  225.9055       7.857328  214.0818       10.47209  241.1363       11.88550  0.000000       0.000000  
1 1 1 0  7  8  o 88.00768 1.689821  77.52647       2.967359  81.33141       4.286149  74.02407       4.112211  0.000000       0.000000  
1 1 1 0  7  9  o 72.71730 1.234827  54.72497       1.678709  47.72543       2.835697  58.50149       2.082910  0.000000       0.000000  
1 1 1 0  7  10 o 43.93048 1.388847  19.70085       1.185797  17.97263       1.842841  20.92202       1.549092  0.000000       0.000000  
1 1 1 0  7  11 o 90.94972 1.427099  82.00552       2.236380  84.56530       4.531578  81.18137       2.571320  0.000000       0.000000  
1 1 1 0  7  12 o 119.9628 1.889751  142.9785       4.231356  147.7276       7.516007  140.7749       5.119787  0.000000       0.000000  
1 1 1 0  7  13 o 99.65765 1.540101  99.42049       3.068017  99.42049       3.068017  99.42049       3.068017  0.000000       0.000000  
1 1 1 0  7  14 o 62.42270 1.317652  38.67772       1.377695  39.86112       2.902560  38.33358       1.565250  0.000000       0.000000  
1 1 1 0  7  15 o 191.0670 2.742141  360.3917       8.838095  378.7412       18.55123  355.0040       10.05220  0.000000       0.000000  
1 1 1 0  7  16 o 10.00176 3.854406  0.8255990      0.8852670 2.696893       2.078152  0.4107413      0.9784886 0.000000       0.000000  
1 1 1 0  7  17 o 21.78531 3.171370  4.848310       0.9151356 6.064806       2.276916  4.613938       0.9994108 0.000000       0.000000  
1 1 1 0  7  18 o 103.7080 1.692266  108.4935       2.956032  107.6214       6.125000  108.7583       3.375116  0.000000       0.000000  
1 1 1 0  7  19 o 48.04321 1.626609  22.47972       1.106071  24.72438       2.920545  22.10387       1.195092  0.000000       0.000000  
1 1 1 0  7  20 o 6.130162 3.090524  -0.5055688     0.7824489 -1.289309      2.607743  -0.4280285     0.8202425 0.000000       0.000000  
1 1 1 0  7  21 o 84.76994 1.772417  73.54475       2.704710  71.80650       5.028314  74.25243       3.208392  0.000000       0.000000  
1 1 1 0  7  22 o 51.78173 2.275063  28.81551       1.529143  26.70329       4.210665  29.13640       1.641192  0.000000       0.000000  
1 1 1 0  7  23 o 19.55787 2.795384  4.105720       1.059818  4.105720       1.059818  4.105720       1.059818  0.000000       0.000000  
1 1 1 0  7  24 o 15.04638 3.418110  4.138043       1.113033  1.145682       2.709168  4.745683       1.220822  0.000000       0.000000  
1 1 1 0  8  0  f 475.9282 8.088867  2272.409       76.89202  2258.915       108.1094  2286.224       109.3853  0.000000       0.000000  
1 1 1 0  8  1  o 49.68838 0.7740712 24.70506       0.7680619 25.43234       1.106845  24.02962       1.066675  0.000000       0.000000  
1 1 1 0  8  2  o 498.1777 5.982725  2480.738       59.42062  2382.558       80.65392  2597.291       87.87680  0.000000       0.000000  
1 1 1 0  8  3  o 246.8039 3.664370  604.6022       16.79407  594.7509       20.22260  626.4952       30.14670  0.000000       0.000000  
1 1 1 0  8  4  o 312.1459 3.754547  976.4975       23.42374  980.3093       33.24778  972.7410       33.00589  0.000000       0.000000  
1 1 1 0  8  5  o 132.8808 2.005172  178.6227       5.093757  183.1499       6.385068  170.6981       8.447720  0.000000       0.000000  
1 1 1 0  8  6  o 154.4109 2.319096  238.4367       6.740990  239.9793       11.70548  237.6712       8.245538  0.000000       0.000000  
1 1 1 0  8  7  o 16.45012 3.278859  3.001598       0.9590402 3.001598       0.9590402 3.001598       0.9590402 0.000000       0.000000  
1 1 1 0  8  8  o 190.1225 2.672815  363.2845       8.866745  359.4187       17.45569  364.6288       10.29362  0.000000       0.000000  
1 1 1 0  8  9  o 211.8298 2.988870  443.3949       10.77149  461.2007       22.29167  437.9710       12.30316  0.000000       0.000000  
1 1 1 0  8  10 o 94.17570 1.544320  90.06686       2.814002  83.71223       4.496875  94.15681       3.607652  0.000000       0.000000  
1 1 1 0  8  11 o 7.909368 3.041562  0.6964641      0.8129702 -0.7030537     1.358877  1.476617       1.014567  0.000000       0.000000  
1 1 1 0  8  12 f 41.88598 1.401411  17.96206       1.139440  16.15973       1.765396  19.24897       1.491766  0.000000       0.000000  
1 1 1 0  8  13 o 90.02976 1.438763  82.80043       2.306136  77.73428       4.336638  84.79797       2.723088  0.000000       0.000000  
1 1 1 0  8  14 o 21.67834 2.564094  5.288018       0.8240445 4.704617       1.646304  5.483048       0.9518689 0.000000       0.000000  
1 1 1 0  8  15 o 96.91779 1.643267  94.64367       2.987588  92.94050       5.187009  95.48919       3.654688  0.000000       0.000000  
1 1 1 0  8  16 o 152.1192 2.375464  228.9940       6.676561  242.0515       12.14604  223.3402       7.992355  0.000000       0.000000  
1 1 1 0  8  17 o 120.2866 1.996946  138.9895       4.228406  159.6354       8.493936  132.1873       4.875461  0.000000       0.000000  
1 1 1 0  8  18 o 32.90631 1.459570  10.90996       0.9565160 10.90996       0.9565160 10.90996       0.9565160 0.000000       0.000000  
1 1 1 0  8  19 o 8.121841 3.549858  0.3003778      0.7315438 1.726682       2.103584  0.1041532      0.7802441 0.000000       0.000000  
1 1 1 0  8  20 o 7.654591 3.958045  0.8850662      0.7714822 0.8850662      0.7714822 0.8850662      0.7714822 0.000000       0.000000  
1 1 1 0  8  21 o 8.694378 3.744635  0.9205306      1.009395  0.2338946      2.534055  1.050025       1.100468  0.000000       0.000000  
1 1 1 0  8  22 o 14.74579 3.048372  4.024371       1.110490  -1.298983      2.708764  5.099807       1.217505  0.000000       0.000000  
1 1 1 0  8  23 o 4.158665 2.946730  -0.8879554     0.9367064 -0.8879554     0.9367064 -0.8879554     0.9367064 0.000000       0.000000  
1 1 1 0  8  24 o 9.076462 3.561542  1.449644       1.061261  -1.100206      2.635123  1.943290       1.159448  0.000000       0.000000  
1 1 1 0  9  1  o 63.90780 1.278805  40.94224       1.631562  41.43011       2.314595  40.46042       2.300226  0.000000       0.000000  
1 1 1 0  9  2  o 13.71022 2.039870  1.927010       0.4659499 1.598839       0.5574308 2.688054       0.8488800 0.000000       0.000000  
1 1 1 0  9  3  o 45.20381 0.8121093 20.47100       0.7330825 20.22737       1.027740  20.72334       1.045971  0.000000       0.000000  
1 1 1 0  9  4  o 207.7146 3.067216  436.7552       12.19836  448.3340       15.32432  416.7295       20.15329  0.000000       0.000000  
1 1 1 0  9  5  o 332.6357 4.924599  1101.059       30.51811  1133.748       54.36504  1086.019       36.87655  0.000000       0.000000  
1 1 1 0  9  6  o 519.9692 6.245794  2710.238       64.88229  2760.263       93.43387  2663.649       90.16805  0.000000       0.000000  
1 1 1 0  9  7  o 165.5085 2.878798  274.2267       9.522868  274.2267       9.522868  274.2267       9.522868  0.000000       0.000000  
1 1 1 0  9  8  o 136.2262 2.435568  184.6097       6.594261  199.7912       9.941110  172.6809       8.812030  0.000000       0.000000  
1 1 1 0  9  9  o 29.62483 1.743445  9.420647       0.9371088 7.665353       1.582216  10.36909       1.163048  0.000000       0.000000  
1 1 1 0  9  10 f 180.9763 2.703816  331.4754       9.396370  316.2182       15.41883  340.4892       11.85129  0.000000       0.000000  
1 1 1 0  9  11 o 81.19474 1.661914  65.71847       2.672663  63.10021       3.534840  69.21299       4.083733  0.000000       0.000000  
1 1 1 0  9  12 o 118.3826 1.869967  140.4219       4.196786  140.5876       7.172025  140.3356       5.175355  0.000000       0.000000  
1 1 1 0  9  13 o 93.54118 1.578501  88.00719       2.826575  86.69625       4.708767  88.74567       3.534145  0.000000       0.000000  
1 1 1 0  9  14 o 100.9612 1.583956  102.7378       2.799967  101.0087       5.471389  103.3513       3.259050  0.000000       0.000000  
1 1 1 0  9  15 o 128.0075 1.906641  163.9359       4.209741  165.1991       8.467884  163.5212       4.851781  0.000000       0.000000  
1 1 1 0  9  16 o 91.01805 1.640215  82.49844       2.784024  85.01727       4.945996  81.33025       3.368305  0.000000       0.000000  
1 1 1 0  9  17 o 48.45378 1.690149  23.55623       1.611231  24.86058       2.497695  22.62658       2.108641  0.000000       0.000000  
1 1 1 0  9  18 o 99.14879 1.569795  98.58009       3.111120  98.58009       3.111120  98.58009       3.111120  0.000000       0.000000  
1 1 1 0  9  19 o 46.66861 1.576439  22.39199       1.098522  21.57708       2.626663  22.56474       1.209366  0.000000       0.000000  
1 1 1 0  9  20 o 52.86076 1.281552  28.06941       1.353108  28.06941       1.353108  28.06941       1.353108  0.000000       0.000000  
1 1 1 0  9  21 o 11.38132 4.119608  1.067832       0.7575834 3.954921       2.484813  0.7719588      0.7954558 0.000000       0.000000  
1 1 1 0  9  22 o 27.45329 3.360678  8.518123       1.280877  8.892613       2.865702  8.424629       1.431867  0.000000       0.000000  
1 1 1 0  9  23 f 8.484106 3.050420  1.114988       0.8958244 -3.276781      2.321110  1.883660       0.9710611 0.000000       0.000000  
1 1 1 0  9  24 o 9.359133 4.084514  1.137795       1.070213  2.473928       2.862250  0.9206355      1.153910  0.000000       0.000000  
1 1 1 0  10 0  o 335.2532 5.709302  1127.091       38.23133  1122.975       53.88203  1131.265       54.25443  0.000000       0.000000  
1 1 1 0  10 1  o 109.4450 1.377512  119.9072       3.013029  120.5910       4.279397  119.2350       4.242968  0.000000       0.000000  
1 1 1 0  10 2  o 124.1567 1.544688  154.3136       3.832816  153.4140       5.387742  155.2354       5.453702  0.000000       0.000000  
1 1 1 0  10 3  o 185.4495 2.781141  341.0937       9.583859  335.1707       11.54415  354.2287       17.19146  0.000000       0.000000  
1 1 1 0  10 4  o 275.6834 4.073656  762.5615       21.18003  760.3421       36.55484  763.6830       25.98647  0.000000       0.000000  
1 1 1 0  10 5  o 162.5953 2.439639  266.5654       7.554612  259.0057       12.69098  270.7143       9.401862  0.000000       0.000000  
1 1 1 0  10 6  o 179.0988 3.105032  321.4643       11.10656  324.0989       15.81957  318.9032       15.59690  0.000000       0.000000  
1 1 1 0  10 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  10 8  o 327.3829 4.598067  1055.902       25.47128  1109.164       53.25000  1040.100       29.00468  0.000000       0.000000  
1 1 1 0  10 9  o 136.4377 2.113857  185.8297       5.456264  188.5138       9.396885  184.4645       6.701741  0.000000       0.000000  
1 1 1 0  10 10 o 102.7877 1.573604  106.1838       2.860964  105.0799       5.513333  106.5906       3.346843  0.000000       0.000000  
1 1 1 0  10 11 o 84.46209 1.476898  71.56954       2.413308  71.20311       3.930311  71.79132       3.057581  0.000000       0.000000  
1 1 1 0  10 12 o 153.7842 2.225439  236.7809       6.841536  236.7809       6.841536  236.7809       6.841536  0.000000       0.000000  
1 1 1 0  10 13 o 19.03630 2.765955  3.804622       0.8460687 4.535223       1.620304  3.530742       0.9920563 0.000000       0.000000  
1 1 1 0  10 14 o 71.48744 1.348581  51.79199       1.700114  50.08786       3.268137  52.42426       1.990674  0.000000       0.000000  
1 1 1 0  10 15 o 11.90596 3.749378  2.010811       0.8790273 1.894053       1.846495  2.045025       0.9995565 0.000000       0.000000  
1 1 1 0  10 16 o 171.8351 2.485084  296.9972       7.375629  297.2683       14.77354  296.9072       8.512367  0.000000       0.000000  
1 1 1 0  10 17 o 28.65220 2.423886  9.008861       1.204071  7.367892       2.068813  9.849458       1.480693  0.000000       0.000000  
1 1 1 0  10 18 o 5.610920 3.545414  0.1743976      0.8288031 0.1743976      0.8288031 0.1743976      0.8288031 0.000000       0.000000  
1 1 1 0  10 19 o 60.20739 1.470075  34.22784       1.332149  40.30587       3.330637  33.07034       1.453472  0.000000       0.000000  
1 1 1 0  10 20 o 74.61404 1.386435  55.92150       2.067356  55.92150       2.067356  55.92150       2.067356  0.000000       0.000000  
1 1 1 0  10 21 f 32.91252 2.135965  11.61356       0.9712172 10.98011       2.464208  11.73006       1.056756  0.000000       0.000000  
1 1 1 0  10 22 o 37.92232 2.248273  15.58557       1.120016  14.76991       3.012561  15.71640       1.206498  0.000000       0.000000  
1 1 1 0  10 23 o 13.54641 3.819789  2.941588       0.9383945 2.279716       2.672716  3.034651       1.002197  0.000000       0.000000  
1 1 1 0  10 24 o 20.72271 3.987347  7.053225       1.142805  4.759781       2.828743  7.500558       1.249295  0.000000       0.000000  
1 1 1 0  11 1  o 298.1697 3.592835  890.1276       21.39769  910.7592       30.94151  871.2164       29.62332  0.000000       0.000000  
1 1 1 0  11 2  o 517.2498 7.674909  2670.240       73.79530  2629.669       88.98518  2759.595       132.0590  0.000000       0.000000  
1 1 1 0  11 3  o 178.5198 2.669849  318.9506       8.965925  320.4066       15.58309  318.2301       10.96215  0.000000       0.000000  
1 1 1 0  11 4  o 61.80271 1.364737  38.22917       1.681286  36.58564       2.310491  40.07887       2.451131  0.000000       0.000000  
1 1 1 0  11 5  o 106.0446 1.951912  112.6087       4.130620  115.1874       5.979137  110.2543       5.713097  0.000000       0.000000  
1 1 1 0  11 6  o 551.1892 6.635902  3046.579       73.10075  3060.381       104.0587  3033.131       102.7146  0.000000       0.000000  
1 1 1 0  11 7  o 401.0339 5.909322  1613.644       44.68186  1610.695       77.17938  1615.131       54.79924  0.000000       0.000000  
1 1 1 0  11 8  o 69.82668 1.494732  48.61491       2.051867  50.49474       3.217799  47.32678       2.663668  0.000000       0.000000  
1 1 1 0  11 9  o 42.43014 1.760888  17.89507       1.466803  16.33140       1.907810  20.15565       2.293887  0.000000       0.000000  
1 1 1 0  11 10 o 71.48679 1.441167  51.63400       2.011179  49.28411       3.156848  53.23934       2.609230  0.000000       0.000000  
1 1 1 0  11 11 f 12.93671 3.569849  2.323553       1.031329  3.459357       1.417617  1.046507       1.503179  0.000000       0.000000  
1 1 1 0  11 12 o 66.61545 1.355610  44.44149       1.804425  44.44149       1.804425  44.44149       1.804425  0.000000       0.000000  
1 1 1 0  11 13 o 56.36388 1.395980  32.30067       1.541537  29.50142       2.351541  34.41011       2.041344  0.000000       0.000000  
1 1 1 0  11 14 o 132.4975 1.956743  175.4932       4.500521  177.1869       8.971756  174.9237       5.202426  0.000000       0.000000  
1 1 1 0  11 15 o 61.49832 1.385046  37.93619       1.478397  38.04216       2.935235  37.90017       1.711316  0.000000       0.000000  
1 1 1 0  11 16 o 18.17892 3.354584  3.527434       0.9226993 4.737088       1.930912  3.169474       1.050387  0.000000       0.000000  
1 1 1 0  11 17 o 60.96649 1.378066  37.12844       1.412957  37.84588       2.948820  36.91463       1.609789  0.000000       0.000000  
1 1 1 0  11 18 o 82.46512 1.440240  68.19630       2.373772  68.19630       2.373772  68.19630       2.373772  0.000000       0.000000  
1 1 1 0  11 19 o 14.14805 3.783795  2.139950       0.7792389 3.871452       2.010086  1.833710       0.8453445 0.000000       0.000000  
1 1 1 0  11 20 o 19.69407 3.482081  6.551361       0.8620284 2.624691       2.266099  7.215706       0.9321027 0.000000       0.000000  
1 1 1 0  11 21 o 40.23205 1.813085  16.57671       1.064163  16.75425       2.624628  16.54179       1.164145  0.000000       0.000000  
1 1 1 0  11 22 o 8.464356 3.304505  1.122491       0.8795241 -2.478023      2.705316  1.548030       0.9300476 0.000000       0.000000  
1 1 1 0  11 23 o 20.67400 3.840478  5.003819       0.9642631 6.450861       2.680888  4.788798       1.033424  0.000000       0.000000  
1 1 1 0  11 24 f 13.04981 3.790398  3.143328       1.081175  1.838903       2.657932  3.401957       1.183514  0.000000       0.000000  
1 1 1 0  12 0  o 37.46450 1.756104  14.12923       1.309643  14.12923       1.309643  14.12923       1.309643  0.000000       0.000000  
1 1 1 0  12 1  o 137.6886 2.081685  191.7543       5.474784  183.5307       9.100519  196.4186       6.853720  0.000000       0.000000  
1 1 1 0  12 2  o 35.48967 1.134511  12.38433       0.7491013 13.47772       1.345270  11.89293       0.9018590 0.000000       0.000000  
1 1 1 0  12 3  o 205.0985 2.492066  421.1979       10.21525  423.5949       14.52327  418.8510       14.37103  0.000000       0.000000  
1 1 1 0  12 4  o 343.5288 4.136234  1182.324       28.39862  1175.932       39.93464  1188.864       40.39269  0.000000       0.000000  
1 1 1 0  12 5  o 449.5468 5.419076  2025.243       48.68292  1998.416       68.09795  2053.285       69.62350  0.000000       0.000000  
1 1 1 0  12 6  o 332.7094 4.005978  1108.647       26.63905  1111.545       37.76319  1105.777       37.58405  0.000000       0.000000  
1 1 1 0  12 7  o 105.8634 2.031594  112.3251       4.294104  113.8368       6.116430  110.8557       6.030053  0.000000       0.000000  
1 1 1 0  12 8  o 198.2577 2.426614  393.2900       9.610841  402.0622       13.85577  385.1558       13.34233  0.000000       0.000000  
1 1 1 0  12 9  o 311.8632 4.618620  975.8446       27.14113  976.5747       46.96365  975.4786       33.25731  0.000000       0.000000  
1 1 1 0  12 10 o 193.1463 2.915233  371.4620       10.54815  381.3501       18.57957  366.7591       12.81335  0.000000       0.000000  
1 1 1 0  12 11 o 144.0527 2.106720  205.9276       5.224021  211.9781       10.59773  203.9855       6.004178  0.000000       0.000000  
1 1 1 0  12 12 o 117.9854 1.813478  139.3647       4.277015  139.3647       4.277015  139.3647       4.277015  0.000000       0.000000  
1 1 1 0  12 13 o 105.4331 1.628337  111.9931       3.047377  110.1842       5.830400  112.6731       3.574490  0.000000       0.000000  
1 1 1 0  12 14 o 183.8579 2.659013  329.0226       8.138413  358.5179       17.55726  320.9508       9.184756  0.000000       0.000000  
1 1 1 0  12 15 o 93.32898 1.637150  87.09381       2.876680  88.25298       4.997483  86.51941       3.517957  0.000000       0.000000  
1 1 1 0  12 16 o 58.38866 1.455680  34.77230       1.573091  32.95715       2.765145  35.64087       1.912789  0.000000       0.000000  
1 1 1 0  12 17 o 92.06563 1.553943  81.56211       2.357433  91.71268       5.192546  78.92667       2.645828  0.000000       0.000000  
1 1 1 0  12 18 o 76.60441 1.451620  57.55863       1.841791  61.71466       3.980451  56.42641       2.077574  0.000000       0.000000  
1 1 1 0  12 19 o 102.6296 1.711666  102.1984       2.854098  113.8698       6.389233  99.28883       3.190071  0.000000       0.000000  
1 1 1 0  12 20 o 36.74630 1.829943  13.45443       1.162392  14.76700       2.333545  13.02126       1.340541  0.000000       0.000000  
1 1 1 0  12 21 o 8.280201 3.612273  0.1001319      0.7617143 2.267474       2.170356  -0.2043329     0.8134589 0.000000       0.000000  
1 1 1 0  12 22 o 5.505992 2.789548  -0.7810166     0.8755879 -2.234921      2.372139  -0.5516849     0.9421160 0.000000       0.000000  
1 1 1 0  12 23 o 7.921902 3.604613  0.6842921      0.9286122 0.5065739      2.698904  0.7081562      0.9889964 0.000000       0.000000  
1 1 1 0  12 24 o 7.847982 3.599803  0.7879851      1.059509  0.6206448      2.701626  0.8184001      1.151776  0.000000       0.000000  
1 1 1 0  13 1  o 146.8001 1.817918  215.7578       5.333742  216.0090       7.551757  215.5078       7.534373  0.000000       0.000000  
1 1 1 0  13 2  o 366.5362 4.410830  1346.566       32.31356  1348.561       45.76042  1344.580       45.63640  0.000000       0.000000  
1 1 1 0  13 3  o 370.8669 4.462397  1378.346       33.07723  1382.577       46.92714  1374.167       46.63081  0.000000       0.000000  
1 1 1 0  13 4  o 447.3138 5.374974  2005.334       48.04511  1981.962       67.13278  2029.873       68.78961  0.000000       0.000000  
1 1 1 0  13 5  o 143.0119 1.788427  204.7404       5.111647  203.9557       7.200916  205.5375       7.257336  0.000000       0.000000  
1 1 1 0  13 6  o 651.8104 7.847812  4255.965       102.0972  4400.006       149.2056  4129.136       140.0074  0.000000       0.000000  
1 1 1 0  13 7  o 306.5876 3.702657  937.6186       22.61699  988.5648       33.64294  895.6071       30.55069  0.000000       0.000000  
1 1 1 0  13 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  13 9  o 217.9296 2.429795  475.0345       10.37414  478.5041       16.41389  472.7266       13.38702  0.000000       0.000000  
1 1 1 0  13 10 o 156.5837 2.425320  241.3256       7.048069  257.6796       12.75146  234.1315       8.457383  0.000000       0.000000  
1 1 1 0  13 11 o 31.22958 1.933553  9.868380       1.198123  9.868380       1.198123  9.868380       1.198123  0.000000       0.000000  
1 1 1 0  13 12 o 107.5331 1.669996  113.1686       3.086558  121.2486       6.334870  110.6533       3.534476  0.000000       0.000000  
1 1 1 0  13 13 o 88.00153 1.480747  75.75314       2.271399  81.49451       4.567191  73.86643       2.618141  0.000000       0.000000  
1 1 1 0  13 14 o 31.92657 1.785758  9.992887       1.044858  11.47156       1.920575  9.371250       1.245268  0.000000       0.000000  
1 1 1 0  13 15 o 15.79791 3.714430  3.198374       0.9798119 3.197903       1.866512  3.198553       1.151179  0.000000       0.000000  
1 1 1 0  13 16 o 24.22743 3.263446  6.492817       1.417873  6.404643       2.032308  6.576435       1.979102  0.000000       0.000000  
1 1 1 0  13 17 o 28.87472 2.021795  8.511436       0.9346707 8.830828       2.030154  8.425526       1.052895  0.000000       0.000000  
1 1 1 0  13 18 o 10.14273 3.244351  1.631734       0.8339978 -0.1097345     1.831369  2.087384       0.9367719 0.000000       0.000000  
1 1 1 0  13 19 o 28.32779 2.009377  7.646537       0.9069286 9.607002       2.077878  7.185165       1.008013  0.000000       0.000000  
1 1 1 0  13 20 o 52.55745 1.572537  26.36386       1.494415  32.10173       2.891484  24.27256       1.745637  0.000000       0.000000  
1 1 1 0  13 21 o 15.17472 3.531393  3.705821       1.270021  0.6837424      2.253923  5.111695       1.537303  0.000000       0.000000  
1 1 1 0  13 22 o 8.010394 3.525038  0.7969766      0.9592148 0.1813534      2.315377  0.9245259      1.053909  0.000000       0.000000  
1 1 1 0  13 23 o 6.496440 3.248230  -0.6427813     0.9596599 0.3631747      2.547134  -0.8091980     1.036002  0.000000       0.000000  
1 1 1 0  13 24 o 23.08682 4.070596  8.205273       1.346224  6.338875       2.779371  8.777359       1.538775  0.000000       0.000000  
1 1 1 0  14 0  o 469.1120 7.985792  2207.590       74.78078  2257.019       108.1014  2162.229       103.5569  0.000000       0.000000  
1 1 1 0  14 1  o 371.0732 4.465621  1379.652       33.11333  1363.109       46.27262  1397.016       47.40661  0.000000       0.000000  
1 1 1 0  14 2  o 66.38345 1.017117  44.13089       1.348958  43.83071       1.900883  44.43542       1.914621  0.000000       0.000000  
1 1 1 0  14 3  o 419.1304 5.040628  1760.673       42.22438  1751.227       59.37655  1770.337       60.05786  0.000000       0.000000  
1 1 1 0  14 4  o 382.8421 4.605423  1467.307       35.21804  1500.353       50.90646  1436.973       48.77362  0.000000       0.000000  
1 1 1 0  14 5  o 254.0603 3.078951  645.8644       15.62614  634.0344       21.67650  658.6631       22.54658  0.000000       0.000000  
1 1 1 0  14 6  o 84.97055 1.237814  72.23867       2.099783  73.64338       3.043927  70.96335       2.900356  0.000000       0.000000  
1 1 1 0  14 7  o 72.31001 1.189045  52.32525       1.716443  50.98849       2.376302  53.78355       2.481980  0.000000       0.000000  
1 1 1 0  14 8  o 244.2912 3.629574  600.7757       16.79573  606.3112       20.74302  590.2374       28.62076  0.000000       0.000000  
1 1 1 0  14 9  o 152.6369 2.699532  233.0581       8.214107  224.8312       11.20945  242.5988       12.07138  0.000000       0.000000  
1 1 1 0  14 10 o 171.2858 2.605031  292.0082       8.340750  300.1754       14.75733  288.1747       10.11051  0.000000       0.000000  
1 1 1 0  14 11 o 59.58056 1.454617  35.57026       1.731045  35.57026       1.731045  35.57026       1.731045  0.000000       0.000000  
1 1 1 0  14 12 o 324.3076 4.547112  1061.906       25.62660  1055.395       50.76342  1064.132       29.68715  0.000000       0.000000  
1 1 1 0  14 13 o 29.24025 1.948150  8.422433       1.035061  9.731029       1.918695  7.885289       1.229273  0.000000       0.000000  
1 1 1 0  14 14 o 141.4098 2.084042  201.2896       5.179233  199.2375       10.08069  202.0255       6.036942  0.000000       0.000000  
1 1 1 0  14 15 o 132.7014 2.001002  175.6503       4.585549  179.0014       9.231557  174.5527       5.283453  0.000000       0.000000  
1 1 1 0  14 16 f 6.741086 3.023888  0.2590547      0.8290961 -1.062081      1.796435  0.6166252      0.9345844 0.000000       0.000000  
1 1 1 0  14 17 o 19.78031 2.647839  4.138893       1.018126  4.138893       1.018126  4.138893       1.018126  0.000000       0.000000  
1 1 1 0  14 18 o 120.9718 1.878824  146.0935       3.880127  151.1664       7.964574  144.5148       4.443035  0.000000       0.000000  
1 1 1 0  14 19 o 86.09444 1.513735  75.65951       2.263786  72.94976       4.446838  76.60743       2.630105  0.000000       0.000000  
1 1 1 0  14 20 o 18.02686 3.554376  4.057288       0.9203343 3.834461       2.107616  4.109788       1.023024  0.000000       0.000000  
1 1 1 0  14 21 o 9.728945 3.473104  1.533240       0.8869203 0.2888849      1.957240  1.854789       0.9949356 0.000000       0.000000  
1 1 1 0  14 22 o 6.272558 3.936818  0.3613419      1.002016  0.3613419      1.002016  0.3613419      1.002016  0.000000       0.000000  
1 1 1 0  14 23 o 6.454845 3.041627  0.1321752      0.9284371 -2.482806      2.492585  0.5534253      1.000427  0.000000       0.000000  
1 1 1 0  14 24 o 16.81838 3.904807  4.549621       1.072810  4.127849       2.661345  4.631456       1.172275  0.000000       0.000000  
1 1 1 0  15 1  o 292.6158 3.535025  857.5845       20.67387  861.7142       29.38511  853.5370       29.09163  0.000000       0.000000  
1 1 1 0  15 2  o 55.35391 0.9958084 30.58254       1.098081  29.10131       1.489702  32.34492       1.624940  0.000000       0.000000  
1 1 1 0  15 3  o 15.78417 2.260608  2.781761       0.6270347 2.431631       0.9045096 3.105696       0.8700177 0.000000       0.000000  
1 1 1 0  15 4  o 45.45390 1.045633  20.72358       0.9482269 20.52464       1.328011  20.93049       1.354368  0.000000       0.000000  
1 1 1 0  15 5  o 197.7339 2.421020  391.2387       9.564261  398.3013       13.75868  384.6346       13.30456  0.000000       0.000000  
1 1 1 0  15 6  o 105.4955 1.428710  111.3347       3.010533  108.4623       4.178998  114.4337       4.340677  0.000000       0.000000  
1 1 1 0  15 7  o 114.3800 1.868580  131.2735       4.021061  130.4532       6.965009  131.6836       4.924658  0.000000       0.000000  
1 1 1 0  15 8  o 185.1142 2.795120  343.4497       9.735015  343.5061       11.91213  343.3363       16.89216  0.000000       0.000000  
1 1 1 0  15 9  o 305.4142 4.538922  935.0203       26.00989  931.8551       31.71578  941.5212       45.45354  0.000000       0.000000  
1 1 1 0  15 10 o 38.49704 1.770782  14.91855       1.357212  14.91855       1.357212  14.91855       1.357212  0.000000       0.000000  
1 1 1 0  15 11 o 205.7781 2.942926  419.1819       10.33816  435.8507       21.27962  414.0322       11.82780  0.000000       0.000000  
1 1 1 0  15 12 o 114.0908 1.786549  126.4286       3.464403  138.3011       7.262341  122.9308       3.941823  0.000000       0.000000  
1 1 1 0  15 13 o 134.3155 2.009139  178.6940       4.647856  185.3381       9.436619  176.5659       5.340564  0.000000       0.000000  
1 1 1 0  15 14 o 60.76719 1.449514  37.31253       1.698606  36.19975       2.760933  37.99025       2.154638  0.000000       0.000000  
1 1 1 0  15 15 o 110.1368 1.719003  123.2185       3.391910  118.3482       6.351963  125.1612       4.011776  0.000000       0.000000  
1 1 1 0  15 16 f 129.8989 1.982066  166.4803       4.364963  175.9531       9.104874  163.6534       4.973799  0.000000       0.000000  
1 1 1 0  15 17 o 17.21389 3.002074  3.210217       0.9467391 3.210217       0.9467391 3.210217       0.9467391 0.000000       0.000000  
1 1 1 0  15 18 o 10.07362 3.785766  1.085862       0.8421486 2.550937       1.922866  0.7381435      0.9367700 0.000000       0.000000  
1 1 1 0  15 19 o 29.59734 1.901056  8.861452       0.9106720 9.442419       1.970579  8.703682       1.026908  0.000000       0.000000  
1 1 1 0  15 20 o 14.46107 3.935882  2.566796       0.9055598 3.657428       2.070490  2.308824       1.006979  0.000000       0.000000  
1 1 1 0  15 21 o 21.73419 3.296751  5.558742       0.8908828 5.448449       2.206991  5.580212       0.9737411 0.000000       0.000000  
1 1 1 0  15 22 f 14.34723 4.440181  2.715781       1.112442  2.715781       1.112442  2.715781       1.112442  0.000000       0.000000  
1 1 1 0  15 23 o 9.189835 3.414543  1.501837       0.9830290 -1.509132      2.573968  2.016001       1.063655  0.000000       0.000000  
1 1 1 0  16 0  o 316.6459 5.410635  1005.140       34.21955  1000.373       48.15918  1010.000       48.63180  0.000000       0.000000  
1 1 1 0  16 1  o 320.6187 3.866816  1029.661       24.77935  1029.636       35.03945  1029.687       35.04713  0.000000       0.000000  
1 1 1 0  16 2  o 162.9674 2.019170  265.8802       6.576651  265.5264       9.290336  266.2356       9.311278  0.000000       0.000000  
1 1 1 0  16 3  o 34.45089 1.491210  11.07736       0.9431217 14.47070       1.784042  9.761233       1.111066  0.000000       0.000000  
1 1 1 0  16 4  f 105.5736 1.404673  111.5618       2.963224  113.0988       4.231065  110.0821       4.151335  0.000000       0.000000  
1 1 1 0  16 5  o 102.3571 1.998838  103.9444       4.053250  113.5093       6.218732  96.88000       5.344422  0.000000       0.000000  
1 1 1 0  16 6  o 101.7326 1.757175  104.0696       3.338469  102.6532       5.853151  104.7525       4.064429  0.000000       0.000000  
1 1 1 0  16 7  o 132.7008 1.702395  176.3060       4.514638  175.9978       6.350635  176.6209       6.419244  0.000000       0.000000  
1 1 1 0  16 8  o 374.2012 6.383312  1404.854       47.74179  1404.854       47.74179  1404.854       47.74179  0.000000       0.000000  
1 1 1 0  16 9  o 120.2104 1.931103  144.8539       4.382379  144.6885       7.549335  144.9379       5.382030  0.000000       0.000000  
1 1 1 0  16 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  16 11 o 121.5888 1.844112  148.7751       3.982291  146.8662       7.619513  149.4925       4.671028  0.000000       0.000000  
1 1 1 0  16 12 o 44.97712 1.683026  20.30966       1.497315  17.69642       2.043397  23.33976       2.200349  0.000000       0.000000  
1 1 1 0  16 13 o 52.86486 1.450800  28.53056       1.426867  26.86466       2.476557  29.35834       1.745735  0.000000       0.000000  
1 1 1 0  16 14 o 39.88938 1.756627  14.06873       1.237861  20.86345       2.553623  11.98170       1.415257  0.000000       0.000000  
1 1 1 0  16 15 o 7.801990 3.681550  -0.8943426     1.625592  0.6235065      1.918450  -4.758859      3.061145  0.000000       0.000000  
1 1 1 0  16 16 o 33.01163 1.990844  10.63938       1.098274  12.23346       2.328257  10.18315       1.245560  0.000000       0.000000  
1 1 1 0  16 17 o 7.869681 3.158309  0.7795515      0.8386177 -0.7390371     1.691101  1.274785       0.9657273 0.000000       0.000000  
1 1 1 0  16 18 o 28.43213 2.053373  7.888069       0.9436697 9.374848       2.091199  7.507895       1.057459  0.000000       0.000000  
1 1 1 0  16 19 o 18.97045 3.427669  4.170736       1.029588  4.676692       1.943918  3.973463       1.213823  0.000000       0.000000  
1 1 1 0  16 20 f 20.55773 3.592966  5.106431       1.170283  4.992212       2.166063  5.153517       1.390736  0.000000       0.000000  
1 1 1 0  16 21 o 20.36129 3.111017  4.138884       0.9280736 6.177102       2.108100  3.648882       1.033628  0.000000       0.000000  
1 1 1 0  16 22 o 30.89816 3.202113  12.59316       1.194231  8.368351       2.691202  13.62909       1.332625  0.000000       0.000000  
1 1 1 0  16 23 f 21.41727 3.818651  5.409385       1.109118  6.980633       2.670954  5.081995       1.219205  0.000000       0.000000  
1 1 1 0  17 1  o 237.0254 2.879980  562.4031       13.64137  556.6354       19.08725  568.4249       19.50309  0.000000       0.000000  
1 1 1 0  17 2  o 160.0040 1.989216  256.1040       6.357825  261.7983       9.175900  250.8458       8.817452  0.000000       0.000000  
1 1 1 0  17 3  o 392.5185 4.730205  1543.154       37.10345  1525.754       51.89698  1561.349       53.06698  0.000000       0.000000  
1 1 1 0  17 4  o 98.20488 1.350824  96.54728       2.650666  95.68006       3.718017  97.44364       3.779967  0.000000       0.000000  
1 1 1 0  17 5  o 65.91655 1.527888  42.89956       1.805997  45.18052       3.448045  42.03723       2.120071  0.000000       0.000000  
1 1 1 0  17 6  o 84.07906 1.260175  70.71256       2.114956  69.00303       2.915573  72.61120       3.072599  0.000000       0.000000  
1 1 1 0  17 7  o 101.2492 1.951493  102.7600       3.943908  99.09495       5.536428  106.5360       5.619558  0.000000       0.000000  
1 1 1 0  17 8  o 304.8850 3.692684  931.1579       22.48629  954.2693       32.54747  910.0529       31.10255  0.000000       0.000000  
1 1 1 0  17 9  o 105.0297 1.728883  109.0764       3.422940  114.9630       5.990212  106.2224       4.170980  0.000000       0.000000  
1 1 1 0  17 10 o 15.45169 3.845679  2.847329       0.9627997 2.559449       1.107248  3.739794       1.949550  0.000000       0.000000  
1 1 1 0  17 11 f 52.11880 1.473905  25.75803       1.370390  30.81130       2.707357  24.01734       1.588983  0.000000       0.000000  
1 1 1 0  17 12 o 64.29366 1.364971  41.58722       1.623591  41.17760       2.895185  41.77513       1.960959  0.000000       0.000000  
1 1 1 0  17 13 o 14.86681 3.335272  3.371946       1.088303  0.8130941      1.987588  4.467607       1.300594  0.000000       0.000000  
1 1 1 0  17 14 o 17.53748 3.577063  3.327901       1.051362  5.473352       1.916656  2.404495       1.257423  0.000000       0.000000  
1 1 1 0  17 15 o 25.32773 2.375641  5.455327       1.015940  9.106906       2.299494  4.569677       1.132460  0.000000       0.000000  
1 1 1 0  17 16 o 159.2526 2.346799  254.7550       7.471043  254.7550       7.471043  254.7550       7.471043  0.000000       0.000000  
1 1 1 0  17 17 o 44.38649 1.507280  20.56108       1.161978  18.58402       2.225790  21.30177       1.362362  0.000000       0.000000  
1 1 1 0  17 18 o 14.10723 3.728649  2.432374       0.8553909 3.369492       1.812230  2.163742       0.9702786 0.000000       0.000000  
1 1 1 0  17 19 f 19.88378 3.091368  4.030160       0.9057247 5.521578       2.003004  3.646831       1.015472  0.000000       0.000000  
1 1 1 0  17 20 o 32.74520 2.053233  10.37096       1.058229  12.64557       2.455817  9.852307       1.172688  0.000000       0.000000  
1 1 1 0  17 21 o 8.647974 3.794784  0.5035539      0.9443499 2.142924       2.349680  0.1877357      1.031309  0.000000       0.000000  
1 1 1 0  17 22 o 10.07474 3.831253  1.790146       1.121383  0.4911177      2.359203  2.169302       1.274572  0.000000       0.000000  
1 1 1 0  17 23 o 10.62103 4.186466  2.094328       1.251177  1.927604       2.506337  2.149668       1.443971  0.000000       0.000000  
1 1 1 0  18 0  o 536.8046 9.135500  2889.640       97.90195  2949.085       141.2454  2834.672       135.8223  0.000000       0.000000  
1 1 1 0  18 1  o 40.87910 1.478938  17.38683       1.128779  15.15836       1.889562  18.62333       1.407523  0.000000       0.000000  
1 1 1 0  18 2  o 286.9604 3.472261  824.3995       19.91073  814.6595       27.81433  834.6362       28.51480  0.000000       0.000000  
1 1 1 0  18 3  o 242.6092 2.956142  587.7208       14.30381  565.6135       19.47671  613.6052       21.07499  0.000000       0.000000  
1 1 1 0  18 4  o 87.80141 1.601168  77.06720       2.627610  77.79041       4.625189  76.72255       3.192903  0.000000       0.000000  
1 1 1 0  18 5  o 172.7892 2.635371  298.6615       8.551611  297.7993       10.43717  300.4227       14.91633  0.000000       0.000000  
1 1 1 0  18 6  o 5.843770 2.786762  -0.5543964     0.9284739 0.1136955      1.131859  -1.928815      1.623431  0.000000       0.000000  
1 1 1 0  18 7  o 69.76540 1.198818  48.54804       1.665144  51.39950       2.478626  46.20259       2.247973  0.000000       0.000000  
1 1 1 0  18 8  o 58.93603 1.378047  35.49899       1.583910  31.20034       2.419598  38.72234       2.095227  0.000000       0.000000  
1 1 1 0  18 9  o 51.71313 1.754102  26.98241       1.802481  28.06333       2.517600  25.84566       2.581798  0.000000       0.000000  
1 1 1 0  18 10 o 97.94215 1.711999  95.53622       3.074259  94.58462       3.670899  97.77100       5.625490  0.000000       0.000000  
1 1 1 0  18 11 o 119.3561 1.573374  142.7445       3.752430  144.9116       5.295344  140.5587       5.318204  0.000000       0.000000  
1 1 1 0  18 12 o 28.39447 2.049557  8.153143       1.105050  8.982621       1.842877  7.687452       1.380837  0.000000       0.000000  
1 1 1 0  18 13 f 71.30904 1.454025  52.83481       1.927835  45.77934       3.279057  56.56181       2.383231  0.000000       0.000000  
1 1 1 0  18 14 o 94.28140 1.767349  88.20903       3.210167  93.10344       5.353239  85.46067       4.011462  0.000000       0.000000  
1 1 1 0  18 15 o 177.0371 2.565869  320.2607       8.045408  305.8609       15.31656  325.7477       9.454813  0.000000       0.000000  
1 1 1 0  18 16 o 66.28070 1.488578  44.06950       1.971067  44.06950       1.971067  44.06950       1.971067  0.000000       0.000000  
1 1 1 0  18 17 o 60.02668 1.382755  35.94464       1.444069  36.97188       2.873027  35.59740       1.670407  0.000000       0.000000  
1 1 1 0  18 18 o 36.28979 1.738554  13.79341       1.066169  12.83432       2.120821  14.11776       1.233347  0.000000       0.000000  
1 1 1 0  18 19 o 9.697136 3.764337  0.9312819      0.9199455 2.565152       1.913248  0.4399402      1.049191  0.000000       0.000000  
1 1 1 0  18 20 o 52.88625 1.530003  28.26210       1.498846  28.92517       2.675702  27.95889       1.809373  0.000000       0.000000  
1 1 1 0  18 21 o 21.99538 2.573161  5.163852       1.105740  5.163852       1.105740  5.163852       1.105740  0.000000       0.000000  
1 1 1 0  18 22 o 28.95587 2.577344  8.343248       1.186027  10.94499       2.688061  7.714318       1.321627  0.000000       0.000000  
1 1 1 0  18 23 o 36.56433 2.407897  15.52886       1.302406  13.54877       2.915371  16.02257       1.455746  0.000000       0.000000  
1 1 1 0  19 1  o 91.88133 1.606109  84.96053       2.796674  83.39513       4.756076  85.78787       3.457612  0.000000       0.000000  
1 1 1 0  19 2  o 260.9038 3.867631  687.6993       19.26136  662.9606       32.13051  701.5765       24.06482  0.000000       0.000000  
1 1 1 0  19 3  o 655.0402 9.638234  4352.316       120.3400  4433.413       150.0730  4206.247       201.4093  0.000000       0.000000  
1 1 1 0  19 4  o 210.9861 3.173264  446.0127       12.62047  445.9638       15.47057  446.1100       21.82070  0.000000       0.000000  
1 1 1 0  19 5  o 149.9863 1.900244  225.1644       5.694915  228.5851       8.157035  221.9115       7.954438  0.000000       0.000000  
1 1 1 0  19 6  o 114.1376 2.157242  130.2466       4.908698  137.1939       7.196731  124.2028       6.712438  0.000000       0.000000  
1 1 1 0  19 7  o 34.75710 1.689917  12.56735       1.124808  10.78994       1.748416  13.82242       1.469206  0.000000       0.000000  
1 1 1 0  19 8  o 114.2693 1.853322  129.5522       3.980771  134.6893       6.984437  127.0806       4.844671  0.000000       0.000000  
1 1 1 0  19 9  o 224.9900 2.754169  507.2341       12.37972  499.8026       17.21350  515.1961       17.81724  0.000000       0.000000  
1 1 1 0  19 10 o 136.6107 2.189956  182.4444       5.415110  176.3666       6.371178  198.2605       10.27766  0.000000       0.000000  
1 1 1 0  19 11 o 272.4435 3.318863  745.7634       18.07106  752.4016       25.72253  739.2941       25.39332  0.000000       0.000000  
1 1 1 0  19 12 o 76.60663 1.513837  58.62312       2.220665  59.76501       3.724707  57.99340       2.766021  0.000000       0.000000  
1 1 1 0  19 13 o 27.14767 2.498507  7.515638       1.179604  8.070923       2.224718  7.298473       1.391278  0.000000       0.000000  
1 1 1 0  19 14 o 44.53041 1.805246  20.20845       1.550473  19.46562       2.482602  20.68346       1.985250  0.000000       0.000000  
1 1 1 0  19 15 o 120.5376 1.889902  148.8106       4.071836  139.8794       7.607043  152.3972       4.820567  0.000000       0.000000  
1 1 1 0  19 16 o 10.04001 3.900291  0.8337221      0.9440544 2.770766       2.118065  0.3535031      1.054604  0.000000       0.000000  
1 1 1 0  19 17 o 12.30934 3.117513  2.457680       0.9323545 -0.1092466     1.929989  3.239096       1.064852  0.000000       0.000000  
1 1 1 0  19 18 o 70.16364 1.558482  48.74784       2.041580  52.50451       3.648434  47.03528       2.463361  0.000000       0.000000  
1 1 1 0  19 19 o 12.76534 5.680825  2.471465       1.525118  2.471465       1.525118  2.471465       1.525118  0.000000       0.000000  
1 1 1 0  19 20 o 5.374077 2.734769  -1.262880      0.8962547 -0.9613651     1.962180  -1.342370      1.007495  0.000000       0.000000  
1 1 1 0  19 21 o 9.947948 4.793162  1.599778       1.097068  1.599778       1.097068  1.599778       1.097068  0.000000       0.000000  
1 1 1 0  19 22 o 17.11834 4.232735  3.659955       1.135935  5.961238       2.443295  3.025366       1.283031  0.000000       0.000000  
1 1 1 0  19 23 o 10.00794 3.988714  1.905285       1.110210  1.767407       2.580112  1.936615       1.229893  0.000000       0.000000  
1 1 1 0  20 0  o 246.4368 4.246313  608.6674       20.90046  605.2955       29.39194  612.1164       29.72632  0.000000       0.000000  
1 1 1 0  20 1  o 356.9346 4.308314  1276.284       30.73142  1288.646       43.90301  1264.408       43.03166  0.000000       0.000000  
1 1 1 0  20 2  o 69.80939 1.450305  48.80861       1.923876  49.05228       3.268780  48.67946       2.379701  0.000000       0.000000  
1 1 1 0  20 3  o 309.2262 3.743759  957.7945       23.13600  950.3801       32.45174  965.4585       32.99346  0.000000       0.000000  
1 1 1 0  20 4  o 296.7432 4.403862  885.4791       24.71567  890.8274       30.44905  875.1494       42.31654  0.000000       0.000000  
1 1 1 0  20 5  o 246.5843 3.008150  608.7172       14.81781  621.3573       21.37272  597.0181       20.56187  0.000000       0.000000  
1 1 1 0  20 6  o 311.5819 4.587558  987.2529       27.53880  924.6420       44.59711  1025.841       35.01127  0.000000       0.000000  
1 1 1 0  20 7  o 21.58840 2.220861  4.916179       0.9069524 5.507134       1.311260  4.374167       1.255787  0.000000       0.000000  
1 1 1 0  20 8  o 31.66593 1.891932  10.60911       1.135189  8.045413       1.685118  12.73922       1.536021  0.000000       0.000000  
1 1 1 0  20 9  o 33.34306 1.551073  11.32216       1.016876  12.89425       1.439053  9.754313       1.437109  0.000000       0.000000  
1 1 1 0  20 10 o 87.51672 1.609816  77.91231       2.639863  80.13584       3.243864  73.55202       4.542543  0.000000       0.000000  
1 1 1 0  20 11 o 85.05673 1.291123  72.12236       2.179592  69.49313       2.897598  75.54867       3.307786  0.000000       0.000000  
1 1 1 0  20 12 o 48.30766 1.512404  23.14887       1.354197  24.44005       2.432907  22.56925       1.630052  0.000000       0.000000  
1 1 1 0  20 13 f 9.827164 4.032223  1.186838       1.290827  1.613926       1.826261  0.7604563      1.824751  0.000000       0.000000  
1 1 1 0  20 14 o 47.25941 1.742394  22.50655       1.451235  22.71919       2.797751  22.42827       1.697455  0.000000       0.000000  
1 1 1 0  20 15 o 45.85426 1.760496  21.16120       1.609348  21.16120       1.609348  21.16120       1.609348  0.000000       0.000000  
1 1 1 0  20 16 o 8.626543 3.655072  0.8382223      0.9894170 0.9044864      1.979165  0.8161442      1.142417  0.000000       0.000000  
1 1 1 0  20 17 o 75.47101 1.449869  59.16833       2.005393  52.75896       3.532600  62.21598       2.435953  0.000000       0.000000  
1 1 1 0  20 18 o 11.80160 3.969661  1.979886       0.9590229 2.422392       1.934498  1.835697       1.104271  0.000000       0.000000  
1 1 1 0  20 19 o 24.56838 2.462851  6.287308       1.188089  6.287308       1.188089  6.287308       1.188089  0.000000       0.000000  
1 1 1 0  20 20 o 14.92805 3.900810  2.979151       0.9656747 3.401018       2.057646  2.859988       1.093588  0.000000       0.000000  
1 1 1 0  20 21 o 14.25559 3.454286  3.405394       1.014499  1.503480       2.183066  3.929261       1.145729  0.000000       0.000000  
1 1 1 0  20 22 o 11.74858 4.370734  2.457108       1.259675  3.006549       2.349780  2.235530       1.492212  0.000000       0.000000  
1 1 1 0  20 23 o 26.55274 3.343743  8.138620       1.445246  10.18083       2.802267  7.398570       1.686905  0.000000       0.000000  
1 1 1 0  21 1  o 19.90496 2.445267  4.363832       0.8699825 4.869308       1.190732  3.785021       1.274185  0.000000       0.000000  
1 1 1 0  21 2  o 468.3269 6.936161  2192.894       60.76201  2173.951       73.78409  2232.811       107.1073  0.000000       0.000000  
1 1 1 0  21 3  o 110.4087 1.825016  122.8647       3.831136  124.5726       4.758096  119.7161       6.460305  0.000000       0.000000  
1 1 1 0  21 4  o 504.4250 7.432971  2581.232       71.50028  2494.223       119.5388  2629.701       89.21970  0.000000       0.000000  
1 1 1 0  21 5  o 41.51203 1.516059  17.33478       1.193978  17.50763       2.019545  17.24190       1.480413  0.000000       0.000000  
1 1 1 0  21 6  o 98.12582 1.674606  97.39149       3.168378  92.94884       5.145511  100.1047       4.021105  0.000000       0.000000  
1 1 1 0  21 7  o 61.52110 1.210833  37.98457       1.484522  38.65123       2.048900  37.24784       2.153896  0.000000       0.000000  
1 1 1 0  21 8  o 143.7234 1.836929  206.6333       5.270373  201.3755       7.249611  212.5269       7.675473  0.000000       0.000000  
1 1 1 0  21 9  o 183.5653 2.285549  337.4871       8.379763  331.0634       11.60476  344.4860       12.11313  0.000000       0.000000  
1 1 1 0  21 10 o 113.0755 1.913186  124.9919       3.883488  121.0389       4.546413  135.6598       7.468744  0.000000       0.000000  
1 1 1 0  21 11 o 50.67873 1.551158  24.37582       1.464718  30.01825       2.687130  21.99068       1.747081  0.000000       0.000000  
1 1 1 0  21 12 o 96.01602 1.741493  92.49623       3.163929  92.51891       5.422249  92.48452       3.895951  0.000000       0.000000  
1 1 1 0  21 13 o 24.54025 5.179926  7.586167       1.988000  7.718953       2.273347  7.154587       4.098472  0.000000       0.000000  
1 1 1 0  21 14 o 70.66992 1.588973  49.30310       1.930879  52.00231       3.935560  48.44739       2.215908  0.000000       0.000000  
1 1 1 0  21 15 o 105.3750 1.751194  112.6812       3.259302  109.5917       6.259952  113.8302       3.817564  0.000000       0.000000  
1 1 1 0  21 16 o 96.22900 1.643103  95.80003       2.839177  87.20602       5.214372  99.42157       3.384941  0.000000       0.000000  
1 1 1 0  21 17 o 5.973105 2.925146  -0.8726537     1.016197  -0.6359881     1.839736  -0.9765640     1.219038  0.000000       0.000000  
1 1 1 0  21 18 o 6.786031 3.168510  -0.2055631E-01 0.9612541 -0.1031351     1.833649  0.1073799E-01  1.128793  0.000000       0.000000  
1 1 1 0  21 19 o 53.89195 1.687714  28.35948       1.615937  32.38586       3.173357  26.94991       1.877607  0.000000       0.000000  
1 1 1 0  21 20 o 39.17025 1.742507  15.03084       1.186408  17.38954       2.398720  14.26697       1.365068  0.000000       0.000000  
1 1 1 0  21 21 o 42.10221 1.798264  17.41870       1.294437  20.59132       2.693313  16.46574       1.476095  0.000000       0.000000  
1 1 1 0  21 22 o 8.288996 3.604796  -0.1224247     1.047267  2.769290       2.075555  -1.110086      1.212999  0.000000       0.000000  
1 1 1 0  22 0  o 159.5750 4.014634  255.2039       12.79472  255.2039       12.79472  255.2039       12.79472  0.000000       0.000000  
1 1 1 0  22 1  o 573.7177 9.820843  3322.411       112.5367  3341.038       160.0217  3304.184       158.2941  0.000000       0.000000  
1 1 1 0  22 2  o 464.4774 6.884463  2160.832       59.88609  2193.734       105.2294  2145.071       72.83038  0.000000       0.000000  
1 1 1 0  22 3  o 356.9185 5.295026  1277.501       35.52082  1284.637       61.84414  1273.988       43.39202  0.000000       0.000000  
1 1 1 0  22 4  o 9.063839 3.411044  1.147399       0.8720552 0.6039622      1.293346  1.600419       1.180861  0.000000       0.000000  
1 1 1 0  22 5  o 32.45574 1.619552  10.71424       1.038479  11.13938       1.443722  10.25844       1.494876  0.000000       0.000000  
1 1 1 0  22 6  o 131.1067 2.093020  168.4273       5.063915  182.2684       9.284279  162.5660       6.041726  0.000000       0.000000  
1 1 1 0  22 7  o 335.5900 4.067339  1130.424       27.27106  1112.939       37.94896  1149.096       39.21649  0.000000       0.000000  
1 1 1 0  22 8  o 89.17420 1.322234  79.65834       2.355864  79.66929       3.327053  79.64734       3.336357  0.000000       0.000000  
1 1 1 0  22 9  o 90.80724 1.331063  82.62764       2.414239  83.39703       3.379309  81.82557       3.450298  0.000000       0.000000  
1 1 1 0  22 10 o 24.53159 3.622743  6.765314       1.566105  6.684541       2.232394  6.843589       2.197627  0.000000       0.000000  
1 1 1 0  22 11 o 72.76031 1.239385  52.73120       1.790282  50.23357       2.381704  55.97559       2.714497  0.000000       0.000000  
1 1 1 0  22 12 o 187.7560 3.286468  353.7672       12.33263  353.7672       12.33263  353.7672       12.33263  0.000000       0.000000  
1 1 1 0  22 13 o 25.65618 2.604345  6.895296       1.188412  7.161815       2.064947  6.763299       1.453200  0.000000       0.000000  
1 1 1 0  22 14 o 6.517797 4.268291  -0.7523789E-01 1.331767  -0.7523789E-01 1.331767  -0.7523789E-01 1.331767  0.000000       0.000000  
1 1 1 0  22 15 o 79.24995 1.578506  61.52242       2.124178  66.37410       4.436854  60.07968       2.419483  0.000000       0.000000  
1 1 1 0  22 16 o 15.73575 3.695148  3.612075       1.041998  2.318043       2.164241  4.002553       1.188861  0.000000       0.000000  
1 1 1 0  22 17 o 7.671062 3.328328  0.5678999      0.9733198 -0.3960067     1.819298  0.9544226      1.152057  0.000000       0.000000  
1 1 1 0  22 18 o 58.75890 1.620945  34.40362       1.840689  37.55605       3.051537  32.60056       2.307814  0.000000       0.000000  
1 1 1 0  22 19 o 39.35885 1.722665  15.73207       1.193223  16.29138       2.305602  15.52746       1.394500  0.000000       0.000000  
1 1 1 0  22 20 o 24.20808 2.727762  6.245100       1.291766  6.245100       1.291766  6.245100       1.291766  0.000000       0.000000  
1 1 1 0  22 21 o 27.42246 2.440668  7.541514       1.163391  9.769588       2.363376  6.828944       1.336540  0.000000       0.000000  
1 1 1 0  22 22 o 6.896220 3.268673  0.1111264      1.048061  0.2292072      2.107867  0.7234722E-01  1.207962  0.000000       0.000000  
1 1 1 0  23 1  o 106.3582 1.460068  113.2734       3.103124  113.4324       4.404526  113.1168       4.372607  0.000000       0.000000  
1 1 1 0  23 2  o 230.6396 2.822796  532.6809       13.00798  541.3316       18.68743  524.5494       18.11792  0.000000       0.000000  
1 1 1 0  23 3  o 177.1902 2.208887  314.0734       7.815608  322.9626       11.34364  306.0404       10.78350  0.000000       0.000000  
1 1 1 0  23 4  o 15.94448 3.275922  3.111749       0.9016114 3.139430       1.216073  3.077959       1.343583  0.000000       0.000000  
1 1 1 0  23 5  o 165.8295 2.086870  275.4491       6.916389  275.3936       9.774426  275.5049       9.788088  0.000000       0.000000  
1 1 1 0  23 6  o 34.15984 1.602685  11.83585       1.084114  11.60913       1.556778  12.04932       1.510603  0.000000       0.000000  
1 1 1 0  23 7  o 187.7313 2.334597  353.1772       8.759436  353.4793       12.41026  352.8772       12.36528  0.000000       0.000000  
1 1 1 0  23 8  o 41.69487 1.345432  17.50216       1.114617  17.51328       1.528448  17.48954       1.628962  0.000000       0.000000  
1 1 1 0  23 9  o 65.86520 1.551690  43.37889       1.896590  44.06508       3.381470  43.06395       2.290847  0.000000       0.000000  
1 1 1 0  23 10 o 90.94469 1.342250  82.71324       2.436680  87.31660       3.534484  78.54370       3.363818  0.000000       0.000000  
1 1 1 0  23 11 o 111.7942 1.921939  122.2864       3.869714  118.3964       4.539964  132.6209       7.399854  0.000000       0.000000  
1 1 1 0  23 12 o 95.69527 1.392822  90.51171       2.630294  84.24558       3.415296  99.64648       4.123613  0.000000       0.000000  
1 1 1 0  23 13 o 27.91253 2.991542  9.422362       1.201916  6.450830       2.272845  10.57593       1.416124  0.000000       0.000000  
1 1 1 0  23 14 o 69.61244 1.572816  49.22192       1.969428  47.68113       3.662142  49.84884       2.335978  0.000000       0.000000  
1 1 1 0  23 15 o 29.79833 2.240860  9.388973       1.153416  8.559747       2.208192  9.700103       1.352600  0.000000       0.000000  
1 1 1 0  23 16 o 79.53992 1.610357  62.65385       2.370740  67.00189       4.302724  60.75843       2.840861  0.000000       0.000000  
1 1 1 0  23 17 o 9.310385 3.755623  1.183178       0.9733084 1.168129       2.001324  1.187840       1.113913  0.000000       0.000000  
1 1 1 0  23 18 o 30.26125 2.094828  8.704292       1.094868  11.45660       2.260050  7.860288       1.251532  0.000000       0.000000  
1 1 1 0  23 19 o 38.93073 1.727868  15.31315       1.191618  16.13470       2.288246  15.00745       1.395819  0.000000       0.000000  
1 1 1 0  23 20 f 15.49628 4.149580  3.495825       1.136068  3.704491       2.228081  3.422516       1.320639  0.000000       0.000000  
1 1 1 0  23 21 o 15.22193 4.507480  3.482774       1.266513  4.661478       2.385308  3.020005       1.494597  0.000000       0.000000  
1 1 1 0  23 22 o 7.460930 3.524258  -0.4944928E-01 1.226570  1.329746       2.248693  -0.6335929     1.463447  0.000000       0.000000  
1 1 1 0  24 0  o 228.2558 3.961205  522.4528       18.05903  523.4120       25.60065  521.5026       25.47846  0.000000       0.000000  
1 1 1 0  24 1  o 89.48176 1.333354  80.18350       2.383613  80.92553       3.400538  79.46675       3.342098  0.000000       0.000000  
1 1 1 0  24 2  o 85.86993 1.310531  73.73048       2.245896  76.46935       3.271320  71.28860       3.088879  0.000000       0.000000  
1 1 1 0  24 3  o 69.68318 1.229040  48.64222       1.710126  47.91111       2.387976  49.41193       2.450191  0.000000       0.000000  
1 1 1 0  24 4  o 266.3532 3.249812  710.7292       17.28945  726.8098       24.99414  695.9742       23.94176  0.000000       0.000000  
1 1 1 0  24 5  o 59.51913 1.241674  35.51672       1.474310  35.83723       2.126925  35.22029       2.045440  0.000000       0.000000  
1 1 1 0  24 6  o 36.96983 1.535033  13.80013       1.125793  14.14815       1.635043  13.48641       1.552394  0.000000       0.000000  
1 1 1 0  24 7  o 85.09573 1.586740  73.82619       2.570193  76.91579       3.223131  68.43067       4.259354  0.000000       0.000000  
1 1 1 0  24 8  o 214.6612 3.270473  459.1275       13.06573  473.5815       23.32269  452.5164       15.77326  0.000000       0.000000  
1 1 1 0  24 9  o 25.58745 1.909471  6.676682       0.9496946 6.072006       1.247585  7.509882       1.464479  0.000000       0.000000  
1 1 1 0  24 10 o 8.014697 3.362993  0.7152100      0.9343255 1.002236       1.266837  0.3728691      1.383533  0.000000       0.000000  
1 1 1 0  24 11 o 87.17606 1.635407  76.07224       2.645832  75.76374       3.195724  76.74457       4.717676  0.000000       0.000000  
1 1 1 0  24 12 o 62.54050 1.249053  39.19394       1.552992  38.71880       2.096206  39.77203       2.312166  0.000000       0.000000  
1 1 1 0  24 13 o 6.179819 2.856233  -0.4726718     0.9101918 0.6281183      1.253200  -1.701613      1.324139  0.000000       0.000000  
1 1 1 0  24 14 o 10.79843 3.855741  1.776225       1.053812  1.054358       1.913384  2.090532       1.262558  0.000000       0.000000  
1 1 1 0  24 15 o 69.18900 1.550013  47.79293       1.889607  49.13959       3.687323  47.31333       2.200516  0.000000       0.000000  
1 1 1 0  24 16 f 11.25136 3.648895  1.968164       1.053277  0.4710523      1.874855  2.658562       1.273183  0.000000       0.000000  
1 1 1 0  24 17 o 34.87403 2.119023  12.52282       1.452411  13.77429       2.153427  11.47842       1.967219  0.000000       0.000000  
1 1 1 0  24 18 o 10.78664 4.105328  1.747853       1.157860  2.084339       1.995778  1.577140       1.421548  0.000000       0.000000  
1 1 1 0  24 19 o 6.781360 4.257062  0.3773467      1.172439  0.3773467      1.172439  0.3773467      1.172439  0.000000       0.000000  
1 1 1 0  24 20 o 9.531083 3.852718  1.487202       1.105889  1.135661       2.097041  1.622632       1.301591  0.000000       0.000000  
1 1 1 0  24 21 o 29.63871 2.367969  8.224778       1.192745  13.06475       2.578759  6.907565       1.345295  0.000000       0.000000  
1 1 1 0  24 22 o 14.13480 4.409586  2.689723       1.108300  5.903234       2.511005  1.912218       1.235120  0.000000       0.000000  
1 1 1 0  25 1  o 293.1631 3.562277  860.5095       20.84753  836.0771       28.64494  888.0256       30.39889  0.000000       0.000000  
1 1 1 0  25 2  f 223.8839 2.749522  502.0770       12.29908  494.1512       17.12799  510.5140       17.67180  0.000000       0.000000  
1 1 1 0  25 3  o 41.29645 1.372943  17.18088       1.126939  18.32178       1.601148  16.06087       1.586419  0.000000       0.000000  
1 1 1 0  25 4  o 169.2363 2.133569  286.9352       7.216413  286.4529       10.19664  287.4191       10.21448  0.000000       0.000000  
1 1 1 0  25 5  o 38.06701 1.807884  15.39514       1.284673  12.19070       2.054385  17.45285       1.646260  0.000000       0.000000  
1 1 1 0  25 6  o 130.2991 1.718383  170.0027       4.473368  173.2421       6.419046  166.9441       6.237455  0.000000       0.000000  
1 1 1 0  25 7  o 122.0404 2.336960  149.4509       5.693798  145.8170       7.975923  153.2273       8.130803  0.000000       0.000000  
1 1 1 0  25 8  o 52.08380 1.355819  27.12744       1.404814  25.19050       1.911691  29.40132       2.071309  0.000000       0.000000  
1 1 1 0  25 9  o 196.2549 3.007319  388.1669       11.14940  383.3435       19.12372  390.6507       13.72299  0.000000       0.000000  
1 1 1 0  25 10 o 162.7417 2.906070  265.6013       9.452041  265.6013       9.452041  265.6013       9.452041  0.000000       0.000000  
1 1 1 0  25 11 o 12.55583 3.825485  2.235560       1.029381  1.586517       1.434744  2.924083       1.477736  0.000000       0.000000  
1 1 1 0  25 12 o 64.33351 1.402892  41.57462       1.787347  41.52336       2.699229  41.61465       2.385184  0.000000       0.000000  
1 1 1 0  25 13 o 53.60091 1.236676  28.84389       1.312428  28.66149       1.748360  29.07935       1.986464  0.000000       0.000000  
1 1 1 0  25 14 o 15.66159 3.913132  2.833877       1.050949  4.647142       1.984064  2.126699       1.239051  0.000000       0.000000  
1 1 1 0  25 15 o 68.42022 1.613423  46.22227       2.010698  49.61863       3.753455  44.85538       2.381179  0.000000       0.000000  
1 1 1 0  25 16 f 37.43372 1.820404  13.26447       1.235198  17.08270       2.377998  11.85364       1.445497  0.000000       0.000000  
1 1 1 0  25 17 o 40.50658 1.745450  16.36555       1.284720  17.76680       2.387119  15.79420       1.524303  0.000000       0.000000  
1 1 1 0  25 18 f 13.00073 4.289425  2.170306       1.089767  3.881473       2.258201  1.650820       1.244239  0.000000       0.000000  
1 1 1 0  25 19 o 17.03580 3.867571  3.918716       1.164608  3.566590       1.761953  4.191914       1.551968  0.000000       0.000000  
1 1 1 0  25 20 o 11.97016 4.281600  2.076017       1.231353  3.843228       2.195406  1.264927       1.487323  0.000000       0.000000  
1 1 1 0  25 21 o 7.682826 3.588423  -0.2071690     1.085772  1.976730       2.333719  -0.8104953     1.226616  0.000000       0.000000  
1 1 1 0  25 22 o 9.588976 4.069777  0.5190800      1.090944  4.317310       2.618077  -0.2790062     1.200098  0.000000       0.000000  
1 1 1 0  26 0  o 104.9184 2.065514  110.1776       4.322145  106.1879       5.946291  114.6466       6.293334  0.000000       0.000000  
1 1 1 0  26 1  o 123.0141 1.635981  151.5376       4.021402  153.0524       5.736325  150.0737       5.639162  0.000000       0.000000  
1 1 1 0  26 2  o 303.3866 3.688420  920.6251       22.30879  964.4335       32.99874  883.7486       30.27564  0.000000       0.000000  
1 1 1 0  26 3  o 101.9041 1.442547  104.0132       2.937392  104.2308       4.151798  103.7951       4.156404  0.000000       0.000000  
1 1 1 0  26 4  o 124.1216 1.651048  154.2916       4.094785  153.0099       5.733438  155.6261       5.850127  0.000000       0.000000  
1 1 1 0  26 5  o 13.93343 3.672923  2.621578       0.9545152 2.819621       1.340299  2.417764       1.359686  0.000000       0.000000  
1 1 1 0  26 6  o 167.6962 2.626548  280.6075       8.204945  286.4993       14.58534  277.8797       9.924155  0.000000       0.000000  
1 1 1 0  26 7  o 196.3980 2.448049  386.4774       9.600857  377.5038       13.25042  396.3958       13.93041  0.000000       0.000000  
1 1 1 0  26 8  o 41.17480 1.429119  17.08939       1.170740  17.28668       1.653004  16.89082       1.658361  0.000000       0.000000  
1 1 1 0  26 9  o 147.3652 3.861568  218.2748       11.36391  218.2748       11.36391  218.2748       11.36391  0.000000       0.000000  
1 1 1 0  26 10 o 205.0093 2.550357  421.9321       10.44852  419.0403       14.64714  424.9284       14.90922  0.000000       0.000000  
1 1 1 0  26 11 o 198.9096 3.039757  392.5618       11.24022  414.1093       20.20829  382.9091       13.52555  0.000000       0.000000  
1 1 1 0  26 12 o 78.79362 1.306394  62.31004       2.055011  63.19824       2.870846  61.37666       2.942944  0.000000       0.000000  
1 1 1 0  26 13 f 27.71030 1.808126  8.250074       0.9366140 9.597788       1.230207  6.391629       1.444622  0.000000       0.000000  
1 1 1 0  26 14 o 26.15839 2.636366  7.430014       1.141399  6.966260       2.099276  7.624648       1.359986  0.000000       0.000000  
1 1 1 0  26 15 o 52.25188 1.645136  27.79080       1.506896  27.35587       2.916894  27.94913       1.759938  0.000000       0.000000  
1 1 1 0  26 16 o 9.893759 3.803333  0.7871758      1.331901  -1.559549      1.971362  2.758006       1.806591  0.000000       0.000000  
1 1 1 0  26 17 o 33.60080 2.222543  12.02413       1.433494  10.42451       2.166288  13.27022       1.911978  0.000000       0.000000  
1 1 1 0  26 18 o 63.03900 1.650851  40.09760       2.078198  40.09760       2.078198  40.09760       2.078198  0.000000       0.000000  
1 1 1 0  26 19 o 17.42311 4.169532  4.527121       1.334680  3.633993       2.270432  4.998736       1.649855  0.000000       0.000000  
1 1 1 0  26 20 o 47.56046 1.776209  22.25287       1.491336  26.55417       2.970358  20.80317       1.724437  0.000000       0.000000  
1 1 1 0  26 21 o 16.83325 4.188678  3.358865       1.060845  6.272187       2.475979  2.703804       1.174069  0.000000       0.000000  
1 1 1 0  27 1  o 208.4309 2.573583  435.3344       10.71912  430.6361       14.99234  440.2476       15.33162  0.000000       0.000000  
1 1 1 0  27 2  o 126.0682 1.672237  159.1599       4.212395  157.2762       5.896255  161.1236       6.020131  0.000000       0.000000  
1 1 1 0  27 3  o 11.92173 3.721022  2.052764       0.9273825 2.143143       1.302571  1.959860       1.320650  0.000000       0.000000  
1 1 1 0  27 4  o 26.88090 2.022752  7.253033       1.058432  9.559781       1.607198  5.486429       1.406497  0.000000       0.000000  
1 1 1 0  27 5  f 74.59233 1.683529  55.35684       2.254783  56.99246       4.272933  54.72563       2.654444  0.000000       0.000000  
1 1 1 0  27 6  o 122.1783 1.645761  149.4966       4.016925  152.5860       5.772873  146.5968       5.592976  0.000000       0.000000  
1 1 1 0  27 7  o 19.70456 3.598910  4.306161       1.209505  3.186926       1.510875  6.303296       2.018234  0.000000       0.000000  
1 1 1 0  27 8  o 129.5775 2.421103  168.2690       6.269519  168.2690       6.269519  168.2690       6.269519  0.000000       0.000000  
1 1 1 0  27 9  o 19.60286 4.143053  5.331530       1.347612  3.499988       2.800278  5.883546       1.537338  0.000000       0.000000  
1 1 1 0  27 10 o 91.66291 1.630685  84.85406       2.917707  81.54559       4.595298  87.08871       3.776638  0.000000       0.000000  
1 1 1 0  27 11 o 8.761544 3.284262  -0.8435978E-01 0.9556082 -1.631807      1.209835  2.482536       1.558196  0.000000       0.000000  
1 1 1 0  27 12 o 52.17727 1.274543  27.48736       1.319417  30.39212       1.853095  24.50067       1.879050  0.000000       0.000000  
1 1 1 0  27 13 o 11.91277 3.601290  2.025233       0.8593327 1.921866       1.118246  2.174311       1.342934  0.000000       0.000000  
1 1 1 0  27 14 o 40.01532 1.747694  15.60437       1.307976  18.29986       2.342034  14.38258       1.576788  0.000000       0.000000  
1 1 1 0  27 15 o 6.715907 3.230777  -0.4445246     1.056489  -0.4703232     2.179353  -0.4365994     1.207912  0.000000       0.000000  
1 1 1 0  27 16 o 35.55310 2.214712  12.92875       1.469828  13.73434       2.545549  12.52583       1.800259  0.000000       0.000000  
1 1 1 0  27 17 o 11.89878 3.503119  2.263826       1.113575  -0.3539046     2.148576  3.225259       1.302111  0.000000       0.000000  
1 1 1 0  27 18 o 11.31683 5.201916  1.985475       1.281066  1.985475       1.281066  1.985475       1.281066  0.000000       0.000000  
1 1 1 0  27 19 o 49.79251 1.713452  23.90680       1.469716  29.15182       3.060750  22.33502       1.675521  0.000000       0.000000  
1 1 1 0  27 20 o 8.388476 3.722687  0.2902001      1.045933  2.357524       2.247679  -0.2811876     1.181668  0.000000       0.000000  
1 1 1 0  27 21 o 8.401309 3.402918  0.9280158      1.160744  -2.906215      2.448583  2.039398       1.318279  0.000000       0.000000  
1 1 1 0  28 0  o 208.1310 3.647337  433.1956       15.12464  414.9001       20.53577  454.8847       22.35934  0.000000       0.000000  
1 1 1 0  28 1  o 39.26117 1.461316  15.52955       1.136036  15.76954       1.690337  15.33185       1.534184  0.000000       0.000000  
1 1 1 0  28 2  o 10.07818 3.726008  1.300213       0.9517138 0.8512451      1.174494  2.158724       1.624112  0.000000       0.000000  
1 1 1 0  28 3  f 9.154550 3.832372  0.8351918      1.100658  1.526547       2.004950  0.5369621      1.316826  0.000000       0.000000  
1 1 1 0  28 4  o 74.89586 1.282016  56.04333       1.914833  52.55748       2.625501  60.00443       2.798760  0.000000       0.000000  
1 1 1 0  28 5  o 224.0160 3.402002  501.8596       14.25082  496.9984       17.29716  512.1323       25.14433  0.000000       0.000000  
1 1 1 0  28 6  o 72.08071 1.612751  52.26999       2.164262  52.46801       2.628306  51.85292       3.814360  0.000000       0.000000  
1 1 1 0  28 7  o 91.52570 1.720732  83.80338       2.946838  83.36552       3.584330  84.71661       5.176443  0.000000       0.000000  
1 1 1 0  28 8  o 97.67120 1.434747  95.59428       2.799389  95.07060       3.914458  96.14245       4.004961  0.000000       0.000000  
1 1 1 0  28 9  o 88.82477 1.998091  79.09435       3.545605  79.09435       3.545605  79.09435       3.545605  0.000000       0.000000  
1 1 1 0  28 10 o 30.25311 1.882913  9.395837       1.117414  9.530960       1.518353  9.236185       1.650418  0.000000       0.000000  
1 1 1 0  28 11 o 9.037212 3.532344  1.146448       0.9345576 1.405325       1.254436  0.8235421      1.401005  0.000000       0.000000  
1 1 1 0  28 12 o 14.40202 3.478665  2.760062       0.9090144 3.041979       1.218151  2.405810       1.365513  0.000000       0.000000  
1 1 1 0  28 13 o 22.10992 3.467940  5.759421       1.175168  5.316302       2.236478  5.928432       1.381215  0.000000       0.000000  
1 1 1 0  28 14 o 15.29205 3.064436  3.151978       0.8564318 3.988814       1.106094  1.899247       1.353320  0.000000       0.000000  
1 1 1 0  28 15 o 64.35297 1.605476  41.50692       1.880056  42.83469       3.479035  40.95925       2.234408  0.000000       0.000000  
1 1 1 0  28 16 o 86.44798 1.706168  73.36012       2.576514  80.56356       5.175989  70.98723       2.970723  0.000000       0.000000  
1 1 1 0  28 17 o 48.63586 1.867612  23.95615       1.810832  23.95615       1.810832  23.95615       1.810832  0.000000       0.000000  
1 1 1 0  28 18 o 63.19536 1.744904  40.35547       2.201680  40.35547       2.201680  40.35547       2.201680  0.000000       0.000000  
1 1 1 0  28 19 o 8.394648 3.475925  0.7538255      1.186034  -2.291456      2.282125  1.880702       1.388238  0.000000       0.000000  
1 1 1 0  28 20 o 32.99789 2.390810  10.66418       1.443524  16.20446       2.711825  8.473646       1.705182  0.000000       0.000000  
1 1 1 0  28 21 o 9.630507 4.126258  1.398805       1.369740  3.270133       2.413909  0.5101274      1.663482  0.000000       0.000000  
1 1 1 0  29 1  o 127.7818 2.415436  163.6973       6.157920  168.5062       8.936622  159.3496       8.497213  0.000000       0.000000  
1 1 1 0  29 2  o 103.0102 1.785884  107.0830       3.488279  108.6215       4.320639  104.2029       5.911642  0.000000       0.000000  
1 1 1 0  29 3  f 68.70044 1.558675  46.38219       1.959808  44.94915       2.327599  49.87271       3.632648  0.000000       0.000000  
1 1 1 0  29 4  o 8.364618 3.370743  0.6103542      0.9515177 1.672090       1.401577  -0.2973430     1.295923  0.000000       0.000000  
1 1 1 0  29 5  o 181.4097 2.788389  332.7433       9.619713  338.0916       11.95621  322.9258       16.19899  0.000000       0.000000  
1 1 1 0  29 6  o 9.211362 3.650526  1.011356       1.061487  0.2359636      1.498245  1.792831       1.504111  0.000000       0.000000  
1 1 1 0  29 7  o 72.04299 1.319552  51.84706       1.894819  55.97366       2.778339  48.25865       2.590834  0.000000       0.000000  
1 1 1 0  29 8  o 77.44193 1.561441  58.71489       2.290697  64.78805       4.002034  55.75568       2.793579  0.000000       0.000000  
1 1 1 0  29 9  o 91.79510 1.785637  85.02499       3.065957  83.37261       5.345574  85.83501       3.742760  0.000000       0.000000  
1 1 1 0  29 10 o 9.195765 3.672862  1.135224       1.007655  0.9878759      1.320675  1.340506       1.558832  0.000000       0.000000  
1 1 1 0  29 11 o 21.24191 2.641573  4.868095       1.007132  4.801160       1.309503  4.965018       1.575773  0.000000       0.000000  
1 1 1 0  29 12 f 51.44309 1.270227  26.37736       1.287387  25.15251       1.677199  28.13399       2.008558  0.000000       0.000000  
1 1 1 0  29 13 o 76.59175 1.277158  58.63163       1.939377  56.60272       2.570719  61.31164       2.954550  0.000000       0.000000  
1 1 1 0  29 14 o 48.47037 1.672054  22.93930       1.383211  22.14063       1.578640  25.57919       2.870088  0.000000       0.000000  
1 1 1 0  29 15 o 36.02715 2.293523  13.68229       1.577356  12.62619       2.490650  14.38955       2.038197  0.000000       0.000000  
1 1 1 0  29 16 o 7.719602 3.499171  0.3496251      1.138196  -0.5871097     2.219857  0.6837216      1.325723  0.000000       0.000000  
1 1 1 0  29 17 o 35.48387 2.066810  13.44607       1.314016  12.26951       2.349868  13.98134       1.584983  0.000000       0.000000  
1 1 1 0  29 18 o 7.314737 3.507691  -0.2233409     1.304000  -0.8087773     2.604281  -0.2745106E-01 1.506447  0.000000       0.000000  
1 1 1 0  29 19 o 19.19029 3.903515  4.255500       1.175900  6.674193       2.355054  3.452235       1.357188  0.000000       0.000000  
1 1 1 0  29 20 o 9.146500 3.831871  1.437995       1.185897  0.7790236      2.267241  1.686184       1.391412  0.000000       0.000000  
1 1 1 0  29 21 o 7.508734 3.557717  0.1529821      1.163446  1.616219       2.391541  -0.3006850     1.331647  0.000000       0.000000  
1 1 1 0  30 0  o 226.1272 3.947282  512.7825       17.80609  497.1735       24.46285  530.3710       25.96770  0.000000       0.000000  
1 1 1 0  30 1  o 126.3989 1.687412  160.0116       4.260637  162.9452       6.131413  157.2723       5.924798  0.000000       0.000000  
1 1 1 0  30 2  o 196.0789 2.446239  385.6048       9.585630  382.5321       13.45045  388.7759       13.66433  0.000000       0.000000  
1 1 1 0  30 3  o 49.62932 1.577027  25.51821       1.477700  27.36961       1.861567  22.36437       2.429679  0.000000       0.000000  
1 1 1 0  30 4  o 33.01136 2.041806  10.87580       1.268708  10.25068       1.557869  12.10689       2.186212  0.000000       0.000000  
1 1 1 0  30 5  o 78.47600 1.535441  61.72440       2.308841  61.98111       3.852716  61.58054       2.884096  0.000000       0.000000  
1 1 1 0  30 6  o 169.0288 2.616575  287.1631       8.392285  286.2241       14.29713  287.6567       10.36605  0.000000       0.000000  
1 1 1 0  30 7  o 226.4725 2.805575  514.8358       12.69016  504.5652       17.55860  526.0671       18.36150  0.000000       0.000000  
1 1 1 0  30 8  o 149.1710 1.937352  222.8286       5.768338  216.7229       7.922832  229.7159       8.414693  0.000000       0.000000  
1 1 1 0  30 9  o 127.9706 2.151545  165.0963       5.171886  162.9815       8.966641  166.1507       6.331183  0.000000       0.000000  
1 1 1 0  30 10 o 44.95314 1.435265  20.33242       1.273093  20.10034       1.686455  20.63989       1.941139  0.000000       0.000000  
1 1 1 0  30 11 o 50.26022 1.336673  25.51174       1.334458  26.74842       1.840364  24.14060       1.937823  0.000000       0.000000  
1 1 1 0  30 12 o 8.453979 3.327729  0.7946637      0.8703891 0.1315370      1.155127  1.665713       1.323893  0.000000       0.000000  
1 1 1 0  30 13 o 51.36087 1.268156  26.62317       1.294928  27.45488       1.778825  25.68552       1.888720  0.000000       0.000000  
1 1 1 0  30 14 o 9.632299 3.671553  1.363458       0.9013938 1.416206       1.033708  1.196070       1.841436  0.000000       0.000000  
1 1 1 0  30 15 o 19.31371 3.992609  5.013649       1.188721  4.048117       2.601198  5.268517       1.336434  0.000000       0.000000  
1 1 1 0  30 16 o 98.20873 1.815193  97.18987       3.562638  97.18987       3.562638  97.18987       3.562638  0.000000       0.000000  
1 1 1 0  30 17 o 20.89734 3.662983  4.941296       1.182096  6.174099       2.363886  4.530221       1.365025  0.000000       0.000000  
1 1 1 0  30 18 o 19.50466 4.058977  4.859989       1.243850  5.604366       2.461785  4.604812       1.441367  0.000000       0.000000  
1 1 1 0  30 19 o 16.62727 4.130217  3.611758       1.385578  7.050735       2.377498  1.842985       1.705067  0.000000       0.000000  
1 1 1 0  30 20 o 7.835121 3.572687  0.6731346      1.105224  0.5885772      2.323889  0.6978511      1.256413  0.000000       0.000000  
1 1 1 0  31 1  o 44.05161 1.879661  19.59614       1.641238  18.82953       2.249363  20.46894       2.400082  0.000000       0.000000  
1 1 1 0  31 2  o 40.46339 1.824849  17.19434       1.377140  14.63986       2.273612  18.67461       1.730753  0.000000       0.000000  
1 1 1 0  31 3  o 97.94250 1.744800  96.07800       3.239185  96.65868       5.540137  95.77638       3.992748  0.000000       0.000000  
1 1 1 0  31 4  o 42.87252 1.696008  18.53570       1.406688  18.73622       2.266748  18.41011       1.793910  0.000000       0.000000  
1 1 1 0  31 5  o 147.0953 2.311097  219.2880       6.540890  209.1427       10.67825  225.3807       8.275030  0.000000       0.000000  
1 1 1 0  31 6  o 161.3555 2.074863  261.1379       6.690802  261.0087       9.440436  261.2683       9.484161  0.000000       0.000000  
1 1 1 0  31 7  f 199.2294 2.499695  398.0437       9.943111  388.1363       13.69522  409.0873       14.45924  0.000000       0.000000  
1 1 1 0  31 8  o 51.41005 1.416750  26.59882       1.451013  27.31322       2.037266  25.86331       2.067144  0.000000       0.000000  
1 1 1 0  31 9  o 10.66889 4.282485  1.549380       1.318710  1.114964       2.577475  1.703415       1.534800  0.000000       0.000000  
1 1 1 0  31 10 o 55.34999 1.321507  30.59811       1.447888  29.26805       1.914317  32.37611       2.213318  0.000000       0.000000  
1 1 1 0  31 11 o 43.42030 2.043413  18.62545       1.570912  20.53697       3.051708  17.93632       1.832328  0.000000       0.000000  
1 1 1 0  31 12 o 12.75506 3.171205  2.340897       0.8890845 3.342304       1.163352  0.9346827      1.378580  0.000000       0.000000  
1 1 1 0  31 13 o 36.06187 1.491473  13.08761       1.053395  12.50413       1.367777  13.93820       1.651446  0.000000       0.000000  
1 1 1 0  31 14 o 6.544024 2.966011  0.1544073      0.8192546 0.3475301E-01  1.028625  0.3619837      1.354820  0.000000       0.000000  
1 1 1 0  31 15 o 76.13628 1.477147  58.63863       2.220407  58.32413       3.397526  58.87310       2.933572  0.000000       0.000000  
1 1 1 0  31 16 o 8.385781 3.789687  0.7111505E-01  1.148907  1.767385       2.388673  -0.4394125     1.310445  0.000000       0.000000  
1 1 1 0  31 17 o 14.82670 4.541015  2.743071       1.282458  5.275896       2.554129  1.889241       1.482948  0.000000       0.000000  
1 1 1 0  31 18 o 39.94718 2.069595  16.47822       1.494236  17.76453       2.770142  15.95037       1.774533  0.000000       0.000000  
1 1 1 0  31 19 o 15.73521 3.806724  4.429051       1.265240  2.055981       2.799099  5.038421       1.418416  0.000000       0.000000  
1 1 1 0  31 20 o 8.477438 3.824054  0.8901792      1.157856  2.019176       2.471554  0.5727333      1.310565  0.000000       0.000000  
1 1 1 0  32 0  o 24.21275 3.340510  6.502574       1.387743  6.033541       2.232319  6.798012       1.771690  0.000000       0.000000  
1 1 1 0  32 1  f 104.0150 1.475516  108.4067       3.066604  107.8997       4.311077  108.9259       4.363056  0.000000       0.000000  
1 1 1 0  32 2  f 145.2273 1.888710  211.2251       5.478059  216.5841       7.924630  206.3206       7.581077  0.000000       0.000000  
1 1 1 0  32 3  o 99.18143 1.468731  98.58530       2.910536  97.97871       4.105755  99.19805       4.126565  0.000000       0.000000  
1 1 1 0  32 4  o 118.2201 1.628880  140.0030       3.846458  137.3860       5.346560  142.8107       5.537912  0.000000       0.000000  
1 1 1 0  32 5  o 92.72632 1.434422  86.00170       2.653135  83.04894       3.630323  89.38679       3.887014  0.000000       0.000000  
1 1 1 0  32 6  o 80.40306 1.573326  65.10503       2.411867  64.09441       4.048576  65.66102       3.002885  0.000000       0.000000  
1 1 1 0  32 7  o 6.711473 3.164387  -0.3640518     1.107812  -0.4590798     1.554058  -0.2658719     1.579621  0.000000       0.000000  
1 1 1 0  32 8  o 122.0868 1.679688  149.5818       4.097860  149.3022       5.782039  149.8639       5.808550  0.000000       0.000000  
1 1 1 0  32 9  o 51.44736 1.908343  26.99841       1.771514  26.25795       3.254520  27.31017       2.111774  0.000000       0.000000  
1 1 1 0  32 10 o 16.27383 4.378952  3.535876       1.247591  3.808077       2.419884  3.437332       1.456012  0.000000       0.000000  
1 1 1 0  32 11 o 61.12490 1.316192  37.41604       1.596897  36.20783       2.134317  38.95254       2.406877  0.000000       0.000000  
1 1 1 0  32 12 o 9.133838 3.697865  1.143353       0.9896671 1.287994       1.138512  0.6961240      2.001964  0.000000       0.000000  
1 1 1 0  32 13 o 31.19764 1.618508  9.888188       0.9860589 9.519006       1.284813  10.41729       1.538117  0.000000       0.000000  
1 1 1 0  32 14 f 22.09803 2.187833  5.209323       0.8996662 5.270381       1.160787  5.117468       1.423744  0.000000       0.000000  
1 1 1 0  32 15 o 39.01872 1.487187  15.64256       1.117563  16.15537       1.430351  14.83892       1.790595  0.000000       0.000000  
1 1 1 0  32 16 o 70.05544 1.695546  50.44482       2.132094  48.88304       3.968110  51.07871       2.528016  0.000000       0.000000  
1 1 1 0  32 17 o 22.46125 3.280697  5.237268       1.202160  8.115612       2.332264  4.195839       1.402883  0.000000       0.000000  
1 1 1 0  32 18 o 19.71462 4.231852  5.368918       1.417924  5.505850       2.365304  5.292107       1.771522  0.000000       0.000000  
1 1 1 0  32 19 o 11.72299 4.566153  2.704547       1.509022  2.544422       2.739319  2.774310       1.808105  0.000000       0.000000  
1 1 1 0  32 20 o 8.041960 3.733582  0.6573180      1.217159  1.615470       2.549094  0.3743508      1.385278  0.000000       0.000000  
1 1 1 0  33 1  o 72.44452 1.315384  52.35680       1.898160  48.30787       2.580638  57.12939       2.801784  0.000000       0.000000  
1 1 1 0  33 2  o 156.1521 2.008717  244.2844       6.264145  250.5585       9.070154  238.5627       8.661637  0.000000       0.000000  
1 1 1 0  33 3  o 91.17561 1.421633  83.32636       2.589509  82.73738       3.648681  83.92411       3.675704  0.000000       0.000000  
1 1 1 0  33 4  f 105.4522 1.532207  111.4649       3.228296  111.8253       4.591219  111.1124       4.540207  0.000000       0.000000  
1 1 1 0  33 5  o 59.96500 1.382383  36.13418       1.651924  35.52162       2.384906  36.69912       2.290310  0.000000       0.000000  
1 1 1 0  33 6  o 15.77413 4.336930  3.587417       1.332283  3.961913       1.597662  2.732522       2.413892  0.000000       0.000000  
1 1 1 0  33 7  o 62.66712 1.384440  39.45138       1.731319  38.89627       2.448304  40.00663       2.448607  0.000000       0.000000  
1 1 1 0  33 8  o 109.2932 1.564823  119.8622       3.417033  119.2031       4.793958  120.5428       4.871812  0.000000       0.000000  
1 1 1 0  33 9  o 58.39137 1.879439  34.46498       1.936852  34.46590       3.725486  34.46463       2.267362  0.000000       0.000000  
1 1 1 0  33 10 o 67.90813 1.289769  46.35276       1.745355  46.71804       2.398520  45.94163       2.544557  0.000000       0.000000  
1 1 1 0  33 11 o 54.75452 1.615861  29.36326       1.604730  28.14235       1.891763  32.49599       3.030308  0.000000       0.000000  
1 1 1 0  33 12 o 10.99858 2.917044  1.662104       0.8292799 2.917727       1.095703  -0.2158972E-01 1.268804  0.000000       0.000000  
1 1 1 0  33 13 o 62.68623 1.279077  39.29270       1.586290  37.53912       2.088248  41.68504       2.439101  0.000000       0.000000  
1 1 1 0  33 14 o 40.55390 1.344230  16.29346       1.047809  15.31097       1.303930  18.08431       1.760434  0.000000       0.000000  
1 1 1 0  33 15 o 8.807986 3.361909  0.8886679      0.8468971 0.2315914      1.066008  2.013066       1.394481  0.000000       0.000000  
1 1 1 0  33 16 o 11.82384 3.984485  2.320982       1.196966  0.7743089      2.385821  2.841232       1.383708  0.000000       0.000000  
1 1 1 0  33 17 o 20.28160 4.297024  5.552206       1.536249  7.189008       2.347347  4.325862       2.031820  0.000000       0.000000  
1 1 1 0  33 18 o 10.55844 3.934173  2.012601       1.259092  0.2375137E-01  2.585151  2.631106       1.441639  0.000000       0.000000  
1 1 1 0  33 19 o 8.149973 3.700950  0.3832946      1.143937  2.019019       2.270571  -0.1731264     1.324286  0.000000       0.000000  
1 1 1 0  34 0  o 225.5744 3.963918  511.4893       17.85042  518.0779       25.70164  505.3497       24.81055  0.000000       0.000000  
1 1 1 0  34 1  o 60.84989 1.298897  37.16866       1.577116  37.78924       2.216747  36.53256       2.244265  0.000000       0.000000  
1 1 1 0  34 2  o 24.20713 2.341269  6.027339       1.112917  5.815527       1.569070  6.241782       1.578780  0.000000       0.000000  
1 1 1 0  34 3  o 235.1756 2.909546  555.9372       13.67532  558.5817       19.43041  553.3415       19.25049  0.000000       0.000000  
1 1 1 0  34 4  o 59.03697 1.347592  34.99746       1.587436  35.44584       2.248426  34.55182       2.241536  0.000000       0.000000  
1 1 1 0  34 5  o 43.88211 1.605109  19.41394       1.399660  20.26930       2.026623  18.63387       1.935364  0.000000       0.000000  
1 1 1 0  34 6  o 19.84519 3.332986  4.597569       1.139668  4.343470       1.703313  4.803528       1.533497  0.000000       0.000000  
1 1 1 0  34 7  f 8.593040 3.079405  0.6025243      0.8990083 2.056467       1.185313  -1.366639      1.379432  0.000000       0.000000  
1 1 1 0  34 8  o 73.38570 1.369600  54.08058       2.006507  53.46305       2.798342  54.73405       2.878619  0.000000       0.000000  
1 1 1 0  34 9  o 14.46689 3.409988  2.821150       0.8636886 3.006663       1.039613  2.407858       1.551717  0.000000       0.000000  
1 1 1 0  34 10 o 48.73959 1.881879  23.93530       1.828494  23.93530       1.828494  23.93530       1.828494  0.000000       0.000000  
1 1 1 0  34 11 o 43.75159 1.452585  19.43225       1.259981  21.10202       1.767479  17.70692       1.796644  0.000000       0.000000  
1 1 1 0  34 12 o 38.29338 1.487085  15.04337       1.117716  16.17204       1.508321  13.66873       1.664584  0.000000       0.000000  
1 1 1 0  34 13 o 55.50230 1.410269  31.16437       1.558716  30.12503       2.240857  32.13865       2.169586  0.000000       0.000000  
1 1 1 0  34 14 f 7.181633 3.115444  0.5306218      0.8356449 0.6975989      1.057151  0.2525150      1.364313  0.000000       0.000000  
1 1 1 0  34 15 o 9.029255 3.742811  1.011425       1.245601  -1.585936      2.604914  1.781356       1.418251  0.000000       0.000000  
1 1 1 0  34 16 o 28.36092 2.966959  8.822247       1.379001  9.309400       2.642531  8.639934       1.616576  0.000000       0.000000  
1 1 1 0  34 17 o 9.358779 5.207969  1.452453       1.423785  1.452453       1.423785  1.452453       1.423785  0.000000       0.000000  
1 1 1 0  34 18 o 59.67030 2.000318  36.89613       2.226435  40.00631       3.952844  35.45095       2.694504  0.000000       0.000000  
1 1 1 0  34 19 o 11.70358 3.984078  2.659010       1.142142  1.984332       2.196314  2.909091       1.337169  0.000000       0.000000  
1 1 1 0  35 1  o 93.96818 1.442585  88.48315       2.707199  89.95238       3.895651  87.11097       3.764815  0.000000       0.000000  
1 1 1 0  35 2  o 189.2331 2.383316  359.6059       9.013621  360.1608       12.76720  359.0545       12.72727  0.000000       0.000000  
1 1 1 0  35 3  o 114.5428 1.605404  131.4953       3.673116  128.9637       5.108880  134.2041       5.284722  0.000000       0.000000  
1 1 1 0  35 4  o 106.5064 1.548853  113.7762       3.295909  113.0502       4.628096  114.5233       4.694860  0.000000       0.000000  
1 1 1 0  35 5  o 8.443787 3.617518  0.7055300      1.121870  0.2520260      1.675254  1.074276       1.510615  0.000000       0.000000  
1 1 1 0  35 6  o 10.07445 4.281420  0.3973367      1.300613  2.704474       2.763668  -0.2589982     1.474049  0.000000       0.000000  
1 1 1 0  35 7  o 7.601275 3.330369  0.3692386      1.011240  -0.2221288     1.437477  0.9486356      1.422854  0.000000       0.000000  
1 1 1 0  35 8  o 64.54457 1.310627  41.88357       1.685919  42.15200       2.321862  41.58422       2.451952  0.000000       0.000000  
1 1 1 0  35 9  o 30.76521 2.261723  9.656443       1.376633  9.656443       1.376633  9.656443       1.376633  0.000000       0.000000  
1 1 1 0  35 10 o 54.92256 1.341114  30.35629       1.468624  31.53973       2.112156  29.24859       2.043442  0.000000       0.000000  
1 1 1 0  35 11 o 71.97142 1.329502  52.15319       1.909881  52.20224       2.660271  52.10102       2.743618  0.000000       0.000000  
1 1 1 0  35 12 f 30.11057 1.873234  9.371370       1.110666  9.302095       1.596993  9.436268       1.545699  0.000000       0.000000  
1 1 1 0  35 13 o 43.10663 1.410186  18.87566       1.197184  19.05663       1.586685  18.63645       1.824203  0.000000       0.000000  
1 1 1 0  35 14 o 81.97541 1.378366  67.69774       2.244150  65.84336       2.999835  70.05441       3.381802  0.000000       0.000000  
1 1 1 0  35 15 o 33.71004 1.740772  11.24026       1.099442  10.30191       1.331057  13.25513       1.950463  0.000000       0.000000  
1 1 1 0  35 16 o 9.560542 3.612585  1.529527       0.9719328 1.833442       1.131144  0.6721039      1.899939  0.000000       0.000000  
1 1 1 0  35 17 o 16.66945 4.181323  3.784356       1.132942  4.784937       2.347881  3.480665       1.293497  0.000000       0.000000  
1 1 1 0  35 18 o 10.20108 4.293129  1.663609       1.264193  2.847294       2.772501  1.352905       1.420454  0.000000       0.000000  
1 1 1 0  36 0  o 9.622382 3.993212  0.6726738      1.451689  -1.226048      2.206678  2.121380       1.927518  0.000000       0.000000  
1 1 1 0  36 1  o 44.03822 1.542923  19.58372       1.350886  18.93731       1.921989  20.21483       1.899099  0.000000       0.000000  
1 1 1 0  36 2  o 124.1861 1.701528  154.6788       4.221207  157.8451       6.065228  151.7044       5.878525  0.000000       0.000000  
1 1 1 0  36 3  o 87.89990 1.414313  77.45071       2.482119  79.65310       3.584100  75.42094       3.440778  0.000000       0.000000  
1 1 1 0  36 4  o 31.07425 3.372921  11.17176       1.482271  9.093643       3.071237  11.80281       1.692430  0.000000       0.000000  
1 1 1 0  36 5  o 33.42719 1.904481  11.49926       1.244900  9.830962       1.763036  13.15819       1.758083  0.000000       0.000000  
1 1 1 0  36 6  o 6.821117 3.146517  -0.2578184E-01 1.009544  0.2166019      1.300900  -0.3927560     1.600700  0.000000       0.000000  
1 1 1 0  36 7  o 8.381163 3.562119  0.1351537      1.111427  -0.9287380     1.415156  1.847688       1.795458  0.000000       0.000000  
1 1 1 0  36 8  o 69.95657 1.346091  49.09471       1.878307  52.17407       2.720546  46.28986       2.596451  0.000000       0.000000  
1 1 1 0  36 9  o 10.12920 3.653488  1.519745       0.9384791 1.157966       1.297647  1.916478       1.358890  0.000000       0.000000  
1 1 1 0  36 10 o 16.06721 3.274811  3.167207       0.9667543 1.951803       1.278288  4.791348       1.477679  0.000000       0.000000  
1 1 1 0  36 11 o 16.38214 3.276333  3.270876       0.9131352 3.092269       1.175387  3.542776       1.450232  0.000000       0.000000  
1 1 1 0  36 12 o 32.86941 1.675910  11.26820       1.067584  12.47227       1.431824  9.760793       1.602063  0.000000       0.000000  
1 1 1 0  36 13 o 37.04129 1.507773  13.86627       1.097391  13.24875       1.436978  14.73034       1.699812  0.000000       0.000000  
1 1 1 0  36 14 o 17.32116 3.526220  3.967693       1.071656  4.578892       1.406068  3.120547       1.655367  0.000000       0.000000  
1 1 1 0  36 15 o 24.72954 3.518549  7.583619       1.199284  7.891633       1.364679  6.538943       2.513250  0.000000       0.000000  
1 1 1 0  36 16 f 6.454016 3.030919  0.2361058E-01  0.9202353 0.6207959E-01  1.094318  -0.6928044E-01 1.700493  0.000000       0.000000  
1 1 1 0  36 17 f 5.755989 2.869788  -1.267375      1.225808  -3.278359      2.259929  -0.4290979     1.459098  0.000000       0.000000  
1 1 1 0  36 18 o 19.25772 4.153792  4.559173       1.402497  4.559173       1.402497  4.559173       1.402497  0.000000       0.000000  
1 1 1 0  37 1  o 19.23072 4.663611  4.918797       1.664496  6.060662       2.356543  3.781935       2.351372  0.000000       0.000000  
1 1 1 0  37 2  o 198.6180 3.585872  399.4671       14.20937  411.2296       20.66459  388.9175       19.57021  0.000000       0.000000  
1 1 1 0  37 3  o 78.43706 1.721923  61.67133       2.489123  61.32652       2.990023  62.44976       4.492508  0.000000       0.000000  
1 1 1 0  37 4  o 42.08936 1.987298  17.92700       1.533604  17.75084       1.845430  18.32023       2.757138  0.000000       0.000000  
1 1 1 0  37 5  o 15.05553 4.458853  3.004767       1.219088  2.724110       1.415830  3.809369       2.397255  0.000000       0.000000  
1 1 1 0  37 6  o 13.10778 4.096847  2.484177       1.088946  2.448111       1.329168  2.557800       1.899074  0.000000       0.000000  
1 1 1 0  37 7  o 14.54818 3.645884  2.801373       0.9981967 3.657274       1.477327  2.082362       1.354043  0.000000       0.000000  
1 1 1 0  37 8  o 66.31476 1.325541  44.22102       1.754633  44.00582       2.455418  44.44559       2.508277  0.000000       0.000000  
1 1 1 0  37 9  o 52.29479 1.512357  27.62834       1.558907  27.76379       2.388294  27.52779       2.057713  0.000000       0.000000  
1 1 1 0  37 10 o 8.630720 3.415463  1.075123       0.8760417 1.224411       1.149127  0.8679591      1.353670  0.000000       0.000000  
1 1 1 0  37 11 o 7.564640 3.190497  0.6846931      0.8391498 0.8666925      1.087346  0.4166621      1.319549  0.000000       0.000000  
1 1 1 0  37 12 o 9.572142 3.610892  1.233011       0.9547942 0.6355966      1.236748  2.114400       1.502198  0.000000       0.000000  
1 1 1 0  37 13 o 16.38968 3.214172  3.513362       0.8933514 3.881189       1.112245  2.844693       1.499630  0.000000       0.000000  
1 1 1 0  37 14 o 37.57904 1.662151  14.15478       1.209262  13.03931       1.526692  16.03299       1.981041  0.000000       0.000000  
1 1 1 0  37 15 o 51.08568 1.471186  26.87057       1.469836  27.52708       1.919420  25.93976       2.285501  0.000000       0.000000  
1 1 1 0  37 16 o 7.648108 3.328949  0.5722506      0.9402041 0.1004865      1.179359  1.394953       1.557418  0.000000       0.000000  
1 1 1 0  37 17 o 4.985061 2.540542  -2.210403      1.188301  -6.239434      2.377637  -0.8689498     1.371933  0.000000       0.000000  
1 1 1 0  37 18 o 5.902350 2.924804  -1.443035      1.352146  -7.209536      2.796516  0.3163987      1.544712  0.000000       0.000000  
1 1 1 0  38 0  o 63.22479 1.936857  40.18625       2.370510  40.72464       3.843306  39.85567       3.011593  0.000000       0.000000  
1 1 1 0  38 1  o 44.81914 1.449113  20.25253       1.292623  21.03351       1.852559  19.51157       1.804480  0.000000       0.000000  
1 1 1 0  38 2  o 18.83548 3.229946  4.203765       1.052785  5.062499       1.479930  3.323980       1.497959  0.000000       0.000000  
1 1 1 0  38 3  o 53.22034 1.357327  28.49553       1.440147  28.86161       2.068940  28.15143       2.005874  0.000000       0.000000  
1 1 1 0  38 4  o 10.53242 3.756226  1.644415       1.085816  2.307314       1.361777  0.4873108      1.799154  0.000000       0.000000  
1 1 1 0  38 5  o 151.2486 1.993981  230.0973       6.022697  236.9767       8.722587  223.8292       8.326007  0.000000       0.000000  
1 1 1 0  38 6  o 66.44875 1.328059  44.21004       1.758236  41.13203       2.400412  47.77305       2.582615  0.000000       0.000000  
1 1 1 0  38 7  o 34.58255 1.806376  11.82695       1.206725  14.07269       1.984359  10.50911       1.520099  0.000000       0.000000  
1 1 1 0  38 8  f 82.23579 1.375346  68.05525       2.258155  67.57714       3.140345  68.56718       3.249476  0.000000       0.000000  
1 1 1 0  38 9  o 26.50439 1.982611  7.349771       1.026266  6.690578       1.446938  8.017087       1.455823  0.000000       0.000000  
1 1 1 0  38 10 o 8.049282 3.397215  0.7812542      0.9473933 0.6898172      1.338441  0.8730680      1.341196  0.000000       0.000000  
1 1 1 0  38 11 o 17.15061 3.349600  3.615857       0.9898355 3.390991       1.341243  3.884812       1.466853  0.000000       0.000000  
1 1 1 0  38 12 o 8.700730 3.927042  0.5953385      1.246913  0.4007577      2.763744  0.6450686      1.397197  0.000000       0.000000  
1 1 1 0  38 13 o 9.122454 3.363757  0.9994594      0.9997475 2.226813       1.314700  -0.6834390     1.539468  0.000000       0.000000  
1 1 1 0  38 14 o 9.501209 3.790300  1.287595       1.064738  0.8154046      1.344241  2.082623       1.744255  0.000000       0.000000  
1 1 1 0  38 15 o 6.978069 3.313148  0.2550460E-01  1.053451  0.1282148      1.182352  -0.3700020     2.320155  0.000000       0.000000  
1 1 1 0  38 16 o 6.750864 3.020279  -0.3740907E-01 0.9669356 1.252383       1.317955  -1.540962      1.422984  0.000000       0.000000  
1 1 1 0  38 17 o 7.895744 3.788376  -0.8992963E-01 1.744508  -1.297515      2.783410  0.6913207      2.238791  0.000000       0.000000  
1 1 1 0  39 1  o 29.78551 2.437370  9.311849       1.415924  8.791900       2.015087  9.818926       1.989989  0.000000       0.000000  
1 1 1 0  39 2  f 95.04849 1.992132  90.98199       3.776826  94.57403       5.470703  87.71094       5.220551  0.000000       0.000000  
1 1 1 0  39 3  o 7.654446 3.344856  0.4926932      0.9893440 0.7132948      1.398458  0.2716586      1.399830  0.000000       0.000000  
1 1 1 0  39 4  f 63.18205 1.492984  39.45174       1.815704  42.95590       3.046731  37.52177       2.261094  0.000000       0.000000  
1 1 1 0  39 5  o 5.361298 2.636418  -0.9959688     0.9470071 -1.053407      1.401280  -0.9476805     1.284826  0.000000       0.000000  
1 1 1 0  39 6  o 17.00348 3.121684  3.634732       0.9589991 5.038073       1.336583  2.145737       1.376768  0.000000       0.000000  
1 1 1 0  39 7  o 70.44528 1.339594  49.96875       1.883977  50.26384       2.643225  49.66404       2.685981  0.000000       0.000000  
1 1 1 0  39 8  o 13.34678 3.668754  2.540712       0.9631535 2.010619       1.409583  3.004950       1.319122  0.000000       0.000000  
1 1 1 0  39 9  o 9.547293 3.621572  1.318873       0.9639658 1.823332       1.397726  0.8612836      1.331212  0.000000       0.000000  
1 1 1 0  39 10 o 14.57669 3.806915  2.941764       1.029413  2.701030       1.441868  3.192039       1.470163  0.000000       0.000000  
1 1 1 0  39 11 o 13.56760 4.683978  2.728274       1.336614  3.227345       2.802697  2.581351       1.520684  0.000000       0.000000  
1 1 1 0  39 12 o 5.671121 2.744600  -0.5796837     0.9312567 -0.3743947     1.221315  -0.8648264     1.439381  0.000000       0.000000  
1 1 1 0  39 13 o 29.33450 1.986157  9.038187       1.134052  9.167762       1.511507  8.871305       1.715348  0.000000       0.000000  
1 1 1 0  39 14 o 30.62026 2.680706  10.76571       1.317043  11.33094       1.548525  9.287626       2.504115  0.000000       0.000000  
1 1 1 0  39 15 o 10.57619 3.859792  1.954569       1.062965  2.226517       1.390794  1.572584       1.648323  0.000000       0.000000  
1 1 1 0  39 16 o 9.669896 3.480871  1.579158       0.9827381 2.383954       1.273255  0.3932473      1.545605  0.000000       0.000000  
1 1 1 0  39 17 o 5.853402 2.961045  -1.411309      1.354851  -3.351658      2.737434  -0.7817940     1.559218  0.000000       0.000000  
1 1 1 0  40 0  o 27.25397 3.256310  8.084017       1.568187  8.054901       2.558867  8.101529       1.984534  0.000000       0.000000  
1 1 1 0  40 1  o 34.94219 1.522784  12.34899       1.053830  11.47786       1.443077  13.34439       1.542573  0.000000       0.000000  
1 1 1 0  40 2  o 23.48859 2.232367  5.768498       0.9976124 4.875278       1.353107  6.832268       1.476648  0.000000       0.000000  
1 1 1 0  40 3  o 57.53347 1.323054  33.31248       1.518776  33.63140       2.144530  32.99156       2.151232  0.000000       0.000000  
1 1 1 0  40 4  o 93.66476 1.721182  88.47028       3.092680  88.12231       5.136817  88.66814       3.873356  0.000000       0.000000  
1 1 1 0  40 5  o 25.42822 2.658161  6.013906       1.201724  4.843651       1.407595  9.159965       2.307920  0.000000       0.000000  
1 1 1 0  40 6  o 9.141891 3.616977  1.186467       0.9854898 0.9247115      1.387289  1.453113       1.400186  0.000000       0.000000  
1 1 1 0  40 7  o 31.24712 1.729002  10.02164       1.067114  9.692018       1.487944  10.37072       1.531241  0.000000       0.000000  
1 1 1 0  40 8  o 54.00165 1.390286  29.44719       1.497178  29.66374       2.117304  29.23063       2.117356  0.000000       0.000000  
1 1 1 0  40 9  o 52.78074 1.399507  28.13078       1.468574  27.72863       1.996266  28.60515       2.168116  0.000000       0.000000  
1 1 1 0  40 10 o 7.363911 3.219498  0.5323660      0.8752111 0.5874400      1.065177  0.4179183      1.535508  0.000000       0.000000  
1 1 1 0  40 11 o 10.02993 3.616656  1.546911       0.9779317 2.164940       1.321910  0.7997783      1.453436  0.000000       0.000000  
1 1 1 0  40 12 o 36.88454 1.660020  13.94860       1.200304  13.79044       1.579119  14.16502       1.847206  0.000000       0.000000  
1 1 1 0  40 13 o 8.200280 3.673483  0.6846013      1.210564  0.9933273      1.393872  -0.2630627     2.442101  0.000000       0.000000  
1 1 1 0  40 14 o 7.202828 3.267909  0.3966492      1.025567  0.4069345      1.354135  0.3828136      1.570553  0.000000       0.000000  
1 1 1 0  40 15 o 23.44122 2.947026  6.453358       1.258461  6.739767       1.793724  6.175715       1.766065  0.000000       0.000000  
1 1 1 0  40 16 o 7.020067 4.494159  0.4863647      1.370592  0.4863647      1.370592  0.4863647      1.370592  0.000000       0.000000  
1 1 1 0  41 1  o 58.58252 1.293097  34.52761       1.511595  34.39737       2.118186  34.66277       2.157800  0.000000       0.000000  
1 1 1 0  41 2  o 114.0235 1.611221  130.5554       3.664955  136.1452       5.375225  125.6993       5.010076  0.000000       0.000000  
1 1 1 0  41 3  o 14.66701 3.232053  2.956908       0.9189056 3.946115       1.226823  1.692697       1.386910  0.000000       0.000000  
1 1 1 0  41 4  o 39.87550 1.523465  16.13310       1.207460  16.03354       1.698408  16.23484       1.716955  0.000000       0.000000  
1 1 1 0  41 5  o 11.51219 4.181509  1.704419       1.128785  1.178649       1.331857  3.045085       2.126767  0.000000       0.000000  
1 1 1 0  41 6  o 39.58094 1.537886  15.91335       1.208819  16.07356       1.746598  15.76605       1.674723  0.000000       0.000000  
1 1 1 0  41 7  o 63.43328 1.334334  40.54840       1.689182  39.83152       2.360172  41.30125       2.418629  0.000000       0.000000  
1 1 1 0  41 8  o 14.13193 4.815592  2.644192       1.270986  4.009625       3.096223  2.367480       1.393835  0.000000       0.000000  
1 1 1 0  41 9  o 7.690623 3.359455  0.4968622      1.011319  0.9985818      1.451134  0.2305687E-01  1.410188  0.000000       0.000000  
1 1 1 0  41 10 f 36.58389 1.737262  13.71317       1.252139  11.87830       1.720421  15.77985       1.825864  0.000000       0.000000  
1 1 1 0  41 11 o 5.607752 2.746145  -0.9512847     1.021983  -0.2138453     1.287424  -2.207738      1.680473  0.000000       0.000000  
1 1 1 0  41 12 o 33.93751 1.794973  11.96411       1.195186  13.91139       1.729036  10.18227       1.653958  0.000000       0.000000  
1 1 1 0  41 13 o 6.362097 3.004413  -0.3574622     0.9707268 -0.9555374     1.231640  0.6233017      1.577205  0.000000       0.000000  
1 1 1 0  41 14 o 8.104223 3.486716  0.1541786      1.179396  -1.529433      1.606522  2.122232       1.736937  0.000000       0.000000  
1 1 1 0  41 15 o 30.44774 2.691892  9.732586       1.466769  12.91041       2.804151  8.535633       1.720976  0.000000       0.000000  
1 1 1 0  41 16 o 49.67477 2.143175  26.26866       1.819047  28.48822       3.676601  25.54923       2.093197  0.000000       0.000000  
1 1 1 0  42 0  f 65.28924 1.818164  42.74029       2.325320  44.41428       3.672934  41.62052       3.004006  0.000000       0.000000  
1 1 1 0  42 1  o 44.53197 1.442134  20.02779       1.276605  20.62444       1.868801  19.50577       1.748029  0.000000       0.000000  
1 1 1 0  42 2  o 78.25761 1.355258  61.64322       2.118299  62.30875       3.004468  60.98536       2.987062  0.000000       0.000000  
1 1 1 0  42 3  o 67.18871 1.325697  45.45938       1.777884  45.90226       2.549141  45.03991       2.480865  0.000000       0.000000  
1 1 1 0  42 4  o 20.27241 2.584701  4.534967       0.9436485 4.871892       1.301931  4.162061       1.369686  0.000000       0.000000  
1 1 1 0  42 5  o 103.4127 1.549912  107.8145       3.201603  106.3858       4.467882  109.3224       4.590091  0.000000       0.000000  
1 1 1 0  42 6  o 64.86455 1.358538  42.37823       1.757815  43.84917       2.543793  41.03392       2.431837  0.000000       0.000000  
1 1 1 0  42 7  o 12.04670 4.316504  2.213263       1.194539  2.114921       2.476121  2.243092       1.363725  0.000000       0.000000  
1 1 1 0  42 8  o 23.51934 2.360919  5.826750       1.075279  5.749166       1.464761  5.917426       1.583522  0.000000       0.000000  
1 1 1 0  42 9  o 12.15678 3.124365  1.923825       1.004915  -0.2083058     1.463041  3.828191       1.382689  0.000000       0.000000  
1 1 1 0  42 10 o 79.85501 1.825852  65.08571       2.671804  65.10287       3.203292  65.04647       4.843366  0.000000       0.000000  
1 1 1 0  42 11 o 56.51400 1.438034  32.38653       1.611518  31.85265       2.158895  33.05832       2.421746  0.000000       0.000000  
1 1 1 0  42 12 o 31.55884 1.910744  10.44974       1.185291  9.833511       1.600137  11.19896       1.764380  0.000000       0.000000  
1 1 1 0  42 13 o 5.561822 2.774121  -1.219304      1.070652  -1.699659      1.381392  -0.4966422     1.694350  0.000000       0.000000  
1 1 1 0  42 14 o 17.48593 4.575074  5.082842       1.535177  4.342042       2.642566  5.460219       1.886094  0.000000       0.000000  
1 1 1 0  42 15 o 13.59082 4.610542  3.535348       1.434232  3.390389       2.769976  3.588446       1.676454  0.000000       0.000000  
1 1 1 0  43 1  o 107.8381 1.567647  117.2859       3.377343  118.3547       4.826580  116.2605       4.727528  0.000000       0.000000  
1 1 1 0  43 2  o 127.7981 1.760608  164.9563       4.494949  167.7896       6.451519  162.2835       6.266169  0.000000       0.000000  
1 1 1 0  43 3  o 20.05910 2.697807  4.434712       0.9569134 3.532128       1.309685  5.468342       1.401540  0.000000       0.000000  
1 1 1 0  43 4  o 13.20173 3.748257  2.362624       1.009572  3.529655       1.574553  1.547901       1.315592  0.000000       0.000000  
1 1 1 0  43 5  o 44.31052 2.169672  19.86658       1.645245  20.92595       3.318233  19.52125       1.894515  0.000000       0.000000  
1 1 1 0  43 6  o 52.87400 1.396741  28.28929       1.472210  28.98216       2.083610  27.59852       2.080431  0.000000       0.000000  
1 1 1 0  43 7  f 87.64740 1.450943  77.41502       2.535953  74.67376       3.465305  80.57593       3.721101  0.000000       0.000000  
1 1 1 0  43 8  o 8.146529 4.729404  0.9233857      1.238889  0.9233857      1.238889  0.9233857      1.238889  0.000000       0.000000  
1 1 1 0  43 9  o 34.60223 1.830402  12.37569       1.252337  12.35532       1.752117  12.39697       1.790657  0.000000       0.000000  
1 1 1 0  43 10 o 8.404036 3.396127  0.3166635      1.120109  2.089403       1.508382  -1.862663      1.672438  0.000000       0.000000  
1 1 1 0  43 11 o 19.56130 3.142632  4.610482       1.069899  4.412470       1.479307  4.827660       1.549246  0.000000       0.000000  
1 1 1 0  43 12 o 21.65229 2.940460  5.487366       1.122062  5.841330       1.505251  5.044708       1.683306  0.000000       0.000000  
1 1 1 0  43 13 o 21.43456 3.997915  7.349731       1.535130  3.931376       2.578892  9.225760       1.910488  0.000000       0.000000  
1 1 1 0  43 14 o 9.876974 4.100518  1.771351       1.296892  1.284648       2.651881  1.924345       1.486821  0.000000       0.000000  
1 1 1 0  43 15 o 5.822221 3.006552  -3.455105      1.835389  -4.466750      2.918517  -2.793263      2.360616  0.000000       0.000000  
1 1 1 0  44 0  o 37.35989 2.400937  14.52638       1.689835  14.05888       2.794714  14.79581       2.121606  0.000000       0.000000  
1 1 1 0  44 1  o 6.011287 2.829661  -0.3508657     0.9175223 0.2475220      1.197011  -1.203253      1.428648  0.000000       0.000000  
1 1 1 0  44 2  o 10.61008 4.324119  1.166233       1.253229  2.801429       2.605140  0.6738776      1.429505  0.000000       0.000000  
1 1 1 0  44 3  o 14.90436 4.692736  2.464804       1.265942  5.494179       2.858261  1.725521       1.411986  0.000000       0.000000  
1 1 1 0  44 4  o 27.06513 2.045130  7.668789       1.079376  7.513884       1.450964  7.860732       1.615136  0.000000       0.000000  
1 1 1 0  44 5  o 9.532751 3.915791  1.278040       1.166711  1.479937       1.370486  0.7464841      2.223744  0.000000       0.000000  
1 1 1 0  44 6  o 19.32285 4.103957  4.296941       1.393859  4.296941       1.393859  4.296941       1.393859  0.000000       0.000000  
1 1 1 0  44 7  o 12.68256 3.846682  2.422361       1.032690  3.005102       1.463098  1.843831       1.457804  0.000000       0.000000  
1 1 1 0  44 8  o 6.596109 3.074898  -0.7910630E-01 1.010118  -0.3049407     1.463706  0.1262482      1.395761  0.000000       0.000000  
1 1 1 0  44 9  o 94.90399 1.546945  91.35308       2.932250  89.27232       4.105499  93.51977       4.189430  0.000000       0.000000  
1 1 1 0  44 10 o 84.11034 1.728789  72.22482       2.809456  74.67304       4.619516  70.78777       3.539221  0.000000       0.000000  
1 1 1 0  44 11 o 24.51239 2.616441  6.687185       1.172192  5.402693       1.592148  8.207501       1.732147  0.000000       0.000000  
1 1 1 0  44 12 o 11.63732 4.312744  2.509796       1.357331  1.296929       2.994423  2.823448       1.522756  0.000000       0.000000  
1 1 1 0  44 13 o 9.291459 4.126993  0.9958915      1.321038  2.643388       2.709360  0.4820643      1.513084  0.000000       0.000000  
1 1 1 0  44 14 o 9.579521 4.245503  1.654966       1.628894  2.613432       2.497937  0.9458711      2.148549  0.000000       0.000000  
1 1 1 0  45 1  o 7.671021 3.386208  0.5053958      1.037588  0.7189621      1.419093  0.2600759      1.520936  0.000000       0.000000  
1 1 1 0  45 2  o 9.371220 3.591164  1.149766       0.9802362 0.4491315      1.301956  2.066669       1.489402  0.000000       0.000000  
1 1 1 0  45 3  o 26.68056 1.976202  7.505175       1.025988  8.133462       1.418341  6.815560       1.485952  0.000000       0.000000  
1 1 1 0  45 4  o 8.490713 3.602772  -0.1337707E-01 1.130155  -1.192846      1.401960  2.175506       1.909869  0.000000       0.000000  
1 1 1 0  45 5  o 8.767601 3.457486  1.106968       0.9260581 0.5991057      1.368418  1.536073       1.257846  0.000000       0.000000  
1 1 1 0  45 6  o 11.32863 3.889990  2.035556       1.033266  1.807943       1.510555  2.235705       1.416495  0.000000       0.000000  
1 1 1 0  45 7  o 64.63807 1.595590  42.04291       1.991690  44.43292       3.290904  40.66153       2.501917  0.000000       0.000000  
1 1 1 0  45 8  o 13.29333 4.119219  2.711998       1.128423  2.764776       1.742238  2.673858       1.481050  0.000000       0.000000  
1 1 1 0  45 9  o 64.47469 1.495441  42.15611       1.914395  45.85468       2.887320  39.25462       2.557341  0.000000       0.000000  
1 1 1 0  45 10 o 20.46648 3.297087  5.088221       1.172956  5.754400       1.713478  4.500760       1.609061  0.000000       0.000000  
1 1 1 0  45 11 o 14.90794 4.778200  3.390306       1.353402  5.018669       2.783640  2.886218       1.548784  0.000000       0.000000  
1 1 1 0  45 12 o 19.89136 4.409866  5.685521       1.444710  6.036789       2.729760  5.548849       1.702725  0.000000       0.000000  
1 1 1 0  45 13 o 6.891472 3.341398  -0.7878406     1.491057  -2.832025      2.318882  0.6531206      1.946904  0.000000       0.000000  
1 1 1 0  46 0  o 57.39934 2.564311  33.36352       2.931163  33.36352       2.931163  33.36352       2.931163  0.000000       0.000000  
1 1 1 0  46 1  o 52.01656 1.826896  27.62506       1.890364  27.47227       2.649574  27.78347       2.697837  0.000000       0.000000  
1 1 1 0  46 2  o 55.23808 1.798780  31.15784       1.976823  31.98449       2.772623  30.30314       2.819259  0.000000       0.000000  
1 1 1 0  46 3  o 15.80620 3.990613  3.461109       1.138767  3.480193       1.777523  3.447824       1.483089  0.000000       0.000000  
1 1 1 0  46 4  o 8.475885 3.349733  0.3506984      1.024169  2.182092       1.497380  -1.259220      1.403922  0.000000       0.000000  
1 1 1 0  46 5  f 44.67298 1.707685  20.32617       1.487704  20.96720       2.356362  19.90129       1.918398  0.000000       0.000000  
1 1 1 0  46 6  o 9.711842 3.286951  1.007717       1.026340  -1.209323      1.553663  2.724283       1.367099  0.000000       0.000000  
1 1 1 0  46 7  o 31.83218 1.821382  10.54468       1.140122  11.71597       1.634233  9.434030       1.591373  0.000000       0.000000  
1 1 1 0  46 8  o 19.85201 3.341339  4.862052       1.146851  4.496317       1.671224  5.187580       1.576686  0.000000       0.000000  
1 1 1 0  46 9  o 70.07539 1.467450  50.25236       2.050965  49.43213       2.945365  51.02446       2.857629  0.000000       0.000000  
1 1 1 0  46 10 o 8.081152 3.703643  0.5418791      1.356009  -2.071024      3.117260  1.151700       1.505957  0.000000       0.000000  
1 1 1 0  46 11 o 8.920719 4.157173  -0.1801267     1.475692  3.131478       3.093740  -1.155513      1.679008  0.000000       0.000000  
1 1 1 0  46 12 o 10.15098 4.118505  1.547595       1.601171  -1.145354      2.564537  3.267970       2.049776  0.000000       0.000000  
1 1 1 0  46 13 o 6.728499 4.788386  -1.475686      2.549725  -1.475686      2.549725  -1.475686      2.549725  0.000000       0.000000  
1 1 1 0  47 1  o 17.56239 3.278590  3.857055       1.047666  5.651473       1.539820  2.310408       1.429564  0.000000       0.000000  
1 1 1 0  47 2  o 20.18003 2.859037  4.677583       1.009674  5.251193       1.384236  4.025432       1.475964  0.000000       0.000000  
1 1 1 0  47 3  o 39.58197 1.858722  16.18549       1.408981  16.08651       2.299651  16.24497       1.782796  0.000000       0.000000  
1 1 1 0  47 4  o 18.95674 4.264501  4.610083       1.344213  4.254513       1.617926  5.402510       2.415329  0.000000       0.000000  
1 1 1 0  47 5  o 9.050905 3.686763  1.189979       1.061621  1.452400       1.486086  0.9164854      1.517113  0.000000       0.000000  
1 1 1 0  47 6  o 7.201914 3.243660  0.2624909      1.031212  0.9198794      1.459388  -0.3930390     1.457323  0.000000       0.000000  
1 1 1 0  47 7  o 22.17722 3.022249  5.744651       1.193198  6.170141       1.664953  5.295375       1.710857  0.000000       0.000000  
1 1 1 0  47 8  o 10.74033 3.839536  1.825225       1.123888  0.8001082      1.585358  2.860908       1.593508  0.000000       0.000000  
1 1 1 0  47 9  f 8.073586 3.891207  -0.2546417     1.500947  1.017828       3.059628  -0.6579165     1.722446  0.000000       0.000000  
1 1 1 0  47 10 o 29.58944 4.034764  11.83605       1.590755  9.433177       3.294538  12.56658       1.816542  0.000000       0.000000  
1 1 1 0  47 11 o 16.51289 5.154686  4.877173       1.824616  6.713722       2.842479  3.590081       2.379583  0.000000       0.000000  
1 1 1 0  47 12 o 13.31872 7.446058  4.412896       2.928891  4.412896       2.928891  4.412896       2.928891  0.000000       0.000000  
1 1 1 0  48 0  o 8.756302 3.796125  0.7826236      1.244712  -0.2791753     2.313021  1.215446       1.476771  0.000000       0.000000  
1 1 1 0  48 1  o 7.837967 3.321763  0.7133848      0.9419861 1.147821       1.289811  0.2167936      1.378995  0.000000       0.000000  
1 1 1 0  48 2  o 23.09872 2.334060  5.733736       1.030061  5.186963       1.410212  6.359107       1.508168  0.000000       0.000000  
1 1 1 0  48 3  o 37.83502 1.713924  14.74749       1.284381  14.94475       1.868618  14.57084       1.768308  0.000000       0.000000  
1 1 1 0  48 4  o 24.86042 3.542488  7.813315       1.305269  8.388173       1.543270  6.368676       2.446478  0.000000       0.000000  
1 1 1 0  48 5  o 39.07012 1.718934  15.86617       1.328439  15.13488       1.921341  16.53595       1.838771  0.000000       0.000000  
1 1 1 0  48 6  o 41.51866 1.679871  17.85812       1.384854  17.22378       1.935014  18.52420       1.982820  0.000000       0.000000  
1 1 1 0  48 7  o 13.08783 4.718625  2.939285       1.426478  3.475272       2.800900  2.751572       1.657552  0.000000       0.000000  
1 1 1 0  48 8  o 18.20115 4.792222  4.621573       1.439279  6.444405       2.968505  4.061371       1.645647  0.000000       0.000000  
1 1 1 0  48 9  o 39.18223 2.703712  17.47957       1.712221  16.49780       3.503541  17.78763       1.962554  0.000000       0.000000  
1 1 1 0  48 10 f 6.839210 4.881223  -2.026453      2.704116  -2.026453      2.704116  -2.026453      2.704116  0.000000       0.000000  
1 1 1 0  48 11 o 15.93163 7.586568  5.466565       2.740436  5.466565       2.740436  5.466565       2.740436  0.000000       0.000000  
1 1 1 0  49 1  o 6.575801 3.112230  -0.1924666     1.090004  -0.3635601     1.536032  -0.1891559E-01 1.547024  0.000000       0.000000  
1 1 1 0  49 2  o 5.291062 2.635438  -1.381061      1.037846  -0.4805010     1.444636  -2.341616      1.491980  0.000000       0.000000  
1 1 1 0  49 3  o 12.13018 4.018484  2.428741       1.090765  2.184146       1.542906  2.673126       1.542242  0.000000       0.000000  
1 1 1 0  49 4  o 8.797108 3.561387  0.8570926      1.046063  2.203747       1.620948  -0.1040029     1.369381  0.000000       0.000000  
1 1 1 0  49 5  o 7.787563 3.552575  0.4327360      1.247115  -1.340945      2.566416  0.9810346      1.426914  0.000000       0.000000  
1 1 1 0  49 6  o 12.37243 4.240417  2.860771       1.405371  0.8663748      2.943865  3.449457       1.599390  0.000000       0.000000  
1 1 1 0  49 7  o 59.25871 1.994424  37.47665       2.095338  35.80857       3.919748  38.14400       2.479306  0.000000       0.000000  
1 1 1 0  49 8  o 8.313123 5.639236  0.7782089E-02  2.691386  0.7782089E-02  2.691386  0.7782089E-02  2.691386  0.000000       0.000000  
1 1 1 0  49 9  o 15.25953 7.762163  4.937421       2.939321  4.937421       2.939321  4.937421       2.939321  0.000000       0.000000  
1 1 1 0  49 10 o 9.222154 6.060143  1.417395       2.711710  1.417395       2.711710  1.417395       2.711710  0.000000       0.000000  
1 1 1 0  50 0  o 20.93184 4.121820  6.815420       1.653369  2.948936       2.850485  8.775776       2.029683  0.000000       0.000000  
1 1 1 0  50 1  o 31.93135 3.393785  12.32325       1.667683  10.35484       3.091580  13.13108       1.980545  0.000000       0.000000  
1 1 1 0  50 2  o 22.78451 4.284565  8.149477       1.494318  5.154370       3.085980  9.066864       1.707905  0.000000       0.000000  
1 1 1 0  50 3  o 11.08096 4.345492  2.096608       1.315491  2.534884       2.394129  1.907061       1.574464  0.000000       0.000000  
1 1 1 0  50 4  o 18.07745 4.361550  5.192686       1.441512  4.206372       2.749365  5.566614       1.692851  0.000000       0.000000  
1 1 1 0  50 5  o 56.58707 2.468748  34.59751       2.768656  33.34243       3.951688  35.80761       3.880231  0.000000       0.000000  
1 1 1 0  50 6  o 64.21870 3.536673  44.93018       4.513464  44.93018       4.513464  44.93018       4.513464  0.000000       0.000000  
1 1 1 0  50 7  o 6.497993 4.705887  -3.543913      2.973484  -3.543913      2.973484  -3.543913      2.973484  0.000000       0.000000  
1 1 1 0  50 8  o 24.77227 5.245258  7.805526       2.285072  7.805526       2.285072  7.805526       2.285072  0.000000       0.000000  
1 1 1 0  50 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  51 1  o 36.08422 3.024887  14.63616       2.111782  12.45443       2.826095  17.39464       3.177761  0.000000       0.000000  
1 1 1 0  51 2  o 18.59414 5.067343  5.594194       1.788617  6.351955       2.630857  4.942924       2.438998  0.000000       0.000000  
1 1 1 0  51 3  o 8.835211 5.823385  0.6656827      2.529234  0.6656827      2.529234  0.6656827      2.529234  0.000000       0.000000  
1 1 1 0  51 4  o 10.37829 6.643306  1.801917       2.994148  1.801917       2.994148  1.801917       2.994148  0.000000       0.000000  
1 1 1 0  51 5  o 18.31979 8.361416  6.718591       3.307115  6.718591       3.307115  6.718591       3.307115  0.000000       0.000000  
1 1 1 0  51 6  o 22.25521 5.886322  6.776328       2.258121  6.776328       2.258121  6.776328       2.258121  0.000000       0.000000  
1 1 1 0  51 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  51 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  52 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  52 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  52 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  52 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  52 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  53 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  53 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  53 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  53 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  54 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0  54 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  0  1  o 38.38408 0.5966228 14.56387       0.4212617 14.27505       0.5029683 15.24258       0.7710351 0.000000       0.000000  
1 1 1 1  0  2  o 152.0694 1.826479  231.4778       5.551267  230.2340       7.812400  232.7462       7.889522  0.000000       0.000000  
1 1 1 1  0  3  o 168.3691 2.024043  283.4827       6.805758  276.8077       9.398239  290.8425       9.868567  0.000000       0.000000  
1 1 1 1  0  4  o 149.2447 1.800539  222.9634       5.370754  223.9449       7.631465  222.0002       7.559827  0.000000       0.000000  
1 1 1 1  0  5  o 249.0708 3.644220  628.7609       17.41632  647.8481       21.96349  596.4283       28.58580  0.000000       0.000000  
1 1 1 1  0  6  o 94.38405 1.442355  90.26637       2.613435  93.19569       3.300089  85.33910       4.280016  0.000000       0.000000  
1 1 1 1  0  7  o 225.5248 3.325689  512.0197       14.22243  501.8792       24.16980  517.3907       17.59021  0.000000       0.000000  
1 1 1 1  0  8  o 166.0743 2.026490  275.7507       6.720159  268.4591       9.263564  283.8507       9.763619  0.000000       0.000000  
1 1 1 1  0  9  o 130.5957 1.632993  170.5265       4.259261  165.2221       5.889959  176.3409       6.166565  0.000000       0.000000  
1 1 1 1  0  10 o 477.8076 5.744190  2281.840       54.69666  2184.975       74.01939  2398.355       81.18124  0.000000       0.000000  
1 1 1 1  0  11 o 407.3364 6.018641  1668.812       46.19310  1668.783       56.61113  1668.869       79.90625  0.000000       0.000000  
1 1 1 1  0  12 o 42.81364 1.167044  17.93587       0.9152057 19.62642       1.697401  17.24296       1.086697  0.000000       0.000000  
1 1 1 1  0  13 o 33.27013 1.521916  11.10587       0.8901196 11.44688       1.722628  10.98165       1.039673  0.000000       0.000000  
1 1 1 1  0  14 o 58.61093 1.230230  34.58342       1.394956  33.96089       2.260394  34.96636       1.772810  0.000000       0.000000  
1 1 1 1  0  15 o 66.58710 1.278716  44.87920       1.660269  42.44357       2.608686  46.53744       2.152483  0.000000       0.000000  
1 1 1 1  0  16 o 47.74646 1.544748  24.58372       1.320004  18.98148       2.296290  27.34857       1.613176  0.000000       0.000000  
1 1 1 1  0  17 o 43.00109 1.783740  19.87134       1.326959  16.34356       2.471442  21.30025       1.572906  0.000000       0.000000  
1 1 1 1  0  18 o 32.46090 2.794153  9.011786       1.214422  13.80904       3.604941  8.397673       1.289813  0.000000       0.000000  
1 1 1 1  0  19 o 20.88718 4.475043  4.285002       1.175800  7.406407       3.391959  3.858705       1.253522  0.000000       0.000000  
1 1 1 1  0  20 o 82.44320 1.571109  68.71683       2.432336  68.31552       4.221521  68.91627       2.975967  0.000000       0.000000  
1 1 1 1  0  21 o 52.46088 2.847095  28.36548       1.756439  29.47473       5.527486  28.24089       1.852452  0.000000       0.000000  
1 1 1 1  0  22 o 30.76968 3.036926  8.670828       1.376152  13.22296       3.478837  7.826358       1.498370  0.000000       0.000000  
1 1 1 1  0  23 o 24.64045 3.874237  7.603161       1.630370  4.577754       2.172044  11.50761       2.467496  0.000000       0.000000  
1 1 1 1  0  24 o 8.822505 3.876416  0.9596530      0.9259611 1.901600       2.743658  0.8385738      0.9836747 0.000000       0.000000  
1 1 1 1  1  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  1  1  o 346.5854 3.608851  1191.569       23.27914  1172.702       28.06163  1233.210       41.68901  -8.559967      7.217702  
1 1 1 1  1  2  o 68.71292 0.8498330 47.14252       1.166512  48.70776       1.700506  45.75130       1.603186  2.151031       1.699666  
1 1 1 1  1  3  o 93.90693 0.8097402 88.19009       1.520796  88.31940       2.154908  88.06178       2.146577  0.1371460      1.619480  
1 1 1 1  1  4  o 71.57655 0.6419243 51.23060       0.9188705 51.52337       1.308628  50.94589       1.290519  0.4033661      1.283849  
1 1 1 1  1  5  o 142.6247 1.409953  203.4552       4.021339  205.4358       5.744078  201.5515       5.631654  1.360718       2.819906  
1 1 1 1  1  6  o 47.00768 0.6246004 22.08535       0.5870439 22.73547       0.8421453 21.47083       0.8187593 1.345051       1.249201  
1 1 1 1  1  7  o 257.5338 2.830019  663.1931       14.26633  667.0588       22.66200  660.6554       18.36129  1.193542       5.660039  
1 1 1 1  1  8  o 199.2695 1.705162  396.7555       6.790174  407.2488       9.846502  387.2405       9.376259  5.018005       3.410324  
1 1 1 1  1  9  o 258.7111 2.205866  669.6473       11.41350  672.0687       16.18964  667.2548       16.09305  0.9295654      4.411732  
1 1 1 1  1  10 o 171.7157 1.721016  294.0737       5.896620  307.8402       8.707547  282.4135       8.013749  7.397568       3.442031  
1 1 1 1  1  11 o 163.7137 1.536724  268.9489       5.003596  260.2136       7.411642  276.2641       6.782452  -4.910492      3.073448  
1 1 1 1  1  12 o 90.40218 0.9715458 81.71244       1.734720  81.49077       2.278918  82.01785       2.674919  -0.2865067     1.943092  
1 1 1 1  1  13 o 158.6262 1.396964  251.8559       4.431721  253.2105       6.301844  250.5304       6.233513  0.8430939      2.793928  
1 1 1 1  1  14 o 122.7739 1.131229  150.8604       2.777565  152.0008       3.952625  149.7480       3.903969  0.9160461      2.262458  
1 1 1 1  1  15 o 211.9474 1.841499  449.9919       7.799367  461.9870       11.31549  439.1354       10.76503  5.360947       3.682999  
1 1 1 1  1  16 o 52.47356 0.9513961 27.56238       0.9983932 27.40244       1.417760  27.71973       1.406193  -0.3027458     1.902792  
1 1 1 1  1  17 o 22.80513 1.782174  5.240377       0.8107244 5.084665       1.179533  5.379807       1.116164  -0.6544533     3.564348  
1 1 1 1  1  18 o 41.32774 1.179933  17.09825       0.9727061 16.48078       1.319643  17.83284       1.439369  -1.621017      2.359866  
1 1 1 1  1  19 o 49.14349 1.092544  24.27703       1.073822  24.17500       1.515849  24.37981       1.521394  -0.2074394     2.185087  
1 1 1 1  1  20 o 45.46144 1.154963  20.84397       1.049271  21.17763       1.462062  20.48961       1.506735  0.7676048      2.309926  
1 1 1 1  1  21 o 70.43078 1.110835  49.70481       1.553127  53.20103       2.373569  47.08700       2.053862  4.239655       2.221669  
1 1 1 1  1  22 o 15.04906 2.448358  2.696781       0.6788588 1.827265       1.308470  3.017035       0.7940946 -4.135594      4.896716  
1 1 1 1  1  23 o 12.09130 2.697582  1.471339       0.7037151 2.470296       1.250818  1.008715       0.8512065 4.515437       5.395164  
1 1 1 1  1  24 o 52.95554 1.028655  28.78391       1.088295  30.40877       1.581823  27.32353       1.499627  2.832180       2.057309  
1 1 1 1  2  0  o 194.3864 2.333995  377.6206       9.055630  390.4883       13.23184  366.2837       12.41988  0.000000       0.000000  
1 1 1 1  2  1  o 304.6324 2.577855  927.7985       15.69514  949.6154       22.71053  907.8516       21.71545  6.845856       5.155710  
1 1 1 1  2  2  f 424.8505 3.595615  1807.201       30.55161  1801.855       43.07941  1812.610       43.33472  -1.262543      7.191231  
1 1 1 1  2  3  o 101.7155 0.9036927 104.0333       1.795132  100.7826       2.842648  106.1895       2.315176  -2.659409      1.807385  
1 1 1 1  2  4  o 144.1708 1.235121  207.4906       3.555818  214.6458       5.206197  201.2345       4.868176  4.649582       2.470243  
1 1 1 1  2  5  o 34.97438 0.5806615 12.23117       0.4060035 11.76109       0.5704256 12.71381       0.5780007 -1.362007      1.161323  
1 1 1 1  2  6  o 64.14265 0.7310670 40.78509       0.9322132 44.37680       1.416048  38.03790       1.238430  4.940514       1.462134  
1 1 1 1  2  7  o 129.2735 1.218984  166.7993       3.110303  165.0464       4.071195  169.2567       4.820363  -1.624771      2.437968  
1 1 1 1  2  8  o 107.6778 1.048604  114.7950       2.207007  121.2985       3.559545  110.7334       2.812971  4.903557       2.097207  
1 1 1 1  2  9  o 299.4318 2.544582  897.2115       15.23849  895.3041       21.50659  899.1345       21.59463  -0.6387634     5.089164  
1 1 1 1  2  10 o 85.45547 0.8444067 72.98969       1.442445  74.35219       2.080173  71.72776       2.001928  1.535202       1.688813  
1 1 1 1  2  11 o 194.9671 1.819015  378.8850       6.980747  389.0329       10.95093  371.9388       9.060189  4.353394       3.638029  
1 1 1 1  2  12 o 224.1215 2.082215  503.5940       9.246621  506.6757       12.28869  499.5722       14.03876  1.632736       4.164430  
1 1 1 1  2  13 o 241.0920 2.073698  582.4894       9.998613  579.6901       14.06292  585.3509       14.21871  -1.168228      4.147396  
1 1 1 1  2  14 o 56.24948 0.8185117 31.57833       0.9196264 33.23193       1.342595  30.11679       1.262219  2.767384       1.637023  
1 1 1 1  2  15 o 35.33467 1.154669  12.46153       0.8135269 12.04394       1.101191  12.96330       1.207089  -1.297295      2.309339  
1 1 1 1  2  16 o 83.32091 0.9958210 69.59319       1.654632  68.11772       2.419837  70.88880       2.267584  -1.668541      1.991642  
1 1 1 1  2  17 o 73.39246 1.043085  53.82740       1.510822  53.09743       1.975675  54.85546       2.344642  -1.172623      2.086170  
1 1 1 1  2  18 o 37.77892 1.402395  14.91598       1.013672  10.34817       1.474692  19.00735       1.395669  -11.47145      2.804789  
1 1 1 1  2  19 o 50.16302 1.108662  25.32062       1.110997  26.71435       1.571185  23.92689       1.571189  2.778404       2.217323  
1 1 1 1  2  20 o 59.91663 1.068093  36.16869       1.277918  36.59385       1.764575  35.69977       1.853177  0.7661400      2.136187  
1 1 1 1  2  21 o 37.39990 1.352744  14.19209       0.9696078 14.19395       1.620574  14.19104       1.210098  -0.1517410     2.705489  
1 1 1 1  2  22 o 82.78473 1.154796  67.28318       1.743937  75.08276       3.287867  64.22978       2.057165  6.009315       2.309592  
1 1 1 1  2  23 o 23.10070 1.447248  5.518668       0.6660170 4.884836       0.9104446 6.248312       0.9768370 -2.887487      2.894496  
1 1 1 1  2  24 f 14.90248 2.351872  2.642286       0.6858665 3.033759       0.9627373 2.238837       0.9773515 2.634477       4.703744  
1 1 1 1  3  0  o 520.0487 6.234200  2711.377       64.78829  2680.937       90.58813  2743.251       92.69724  0.000000       0.000000  
1 1 1 1  3  1  o 49.90102 0.5002428 24.66313       0.4889059 23.78104       0.6255032 26.04822       0.7838111 -2.271408      1.000486  
1 1 1 1  3  2  o 192.6204 1.635390  370.9559       6.298001  365.2050       8.768316  377.0849       9.051888  -3.082153      3.270781  
1 1 1 1  3  3  o 311.9291 2.643038  973.2971       16.48414  960.1754       22.98548  987.1920       23.65304  -4.324707      5.286077  
1 1 1 1  3  4  o 105.0864 0.9857588 110.7437       2.062226  106.9639       3.036651  113.9790       2.809438  -3.338676      1.971518  
1 1 1 1  3  5  o 164.6855 1.522119  271.2107       4.958827  272.1451       7.600215  270.5181       6.543505  0.4833221      3.044239  
1 1 1 1  3  6  o 252.8922 2.321964  641.7234       11.68218  622.6475       17.29138  657.7422       15.84537  -6.956894      4.643927  
1 1 1 1  3  7  o 36.59060 1.083708  0.000000       0.000000  ?              ?         13.38960       0.7930707 ?              ?         
1 1 1 1  3  8  o 306.1429 2.802856  940.4214       17.07362  909.9419       25.22773  966.1802       23.19200  -9.201813      5.605712  
1 1 1 1  3  9  o 391.2744 3.322246  1529.350       25.95171  1478.333       35.44725  1588.285       38.09854  -14.01624      6.644492  
1 1 1 1  3  10 o 171.0963 1.599935  293.5308       5.439250  286.5990       8.118414  299.1768       7.326866  -3.682495      3.199871  
1 1 1 1  3  11 o 221.4236 2.197858  488.7512       9.700893  466.2223       13.09088  516.1915       14.44749  -11.25673      4.395716  
1 1 1 1  3  12 o 150.1360 1.435021  224.9612       4.247738  221.9620       5.540952  229.2361       6.615223  -2.401886      2.870041  
1 1 1 1  3  13 o 100.4715 0.9782017 100.9452       1.965086  98.89808       2.740037  103.1133       2.819781  -2.096298      1.956403  
1 1 1 1  3  14 o 83.86780 0.8801708 70.33895       1.475790  71.68901       2.123227  69.07705       2.052723  1.555626       1.760342  
1 1 1 1  3  15 o 192.8815 1.690026  372.9364       6.519464  372.8390       9.233176  373.0332       9.206711  -0.5168152E-01 3.380052  
1 1 1 1  3  16 o 30.92118 1.264170  9.583930       0.7801564 8.809223       1.096593  10.37790       1.110147  -2.535934      2.528340  
1 1 1 1  3  17 o 23.71819 1.703225  5.619495       0.8036261 6.508821       1.185004  4.862209       1.093501  3.461044       3.406450  
1 1 1 1  3  18 f 48.55182 1.032607  23.53447       1.000234  21.61367       1.363486  25.77259       1.471805  -4.271229      2.065215  
1 1 1 1  3  19 o 20.34299 1.647564  3.823860       0.6385741 5.564594       1.132079  3.011535       0.7733489 6.178019       3.295128  
1 1 1 1  3  20 o 29.10053 1.364465  8.992484       0.7329168 7.343240       1.243488  9.870418       0.9072566 -4.435736      2.728930  
1 1 1 1  3  21 o 105.5748 1.415263  112.0160       2.706074  110.3630       3.198158  116.1822       5.077362  -2.018776      2.830526  
1 1 1 1  3  22 o 11.33871 2.342805  1.423997       0.5812815 0.9606692      0.9099045 1.743469       0.7555574 -2.627153      4.685609  
1 1 1 1  3  23 o 22.40734 1.465290  5.206518       0.6555683 5.595843       0.9586173 4.864475       0.8985249 1.573391       2.930579  
1 1 1 1  3  24 o 11.11558 2.687313  1.488028       0.7223510 1.654885       0.9667395 1.277113       1.086904  1.082240       5.374626  
1 1 1 1  4  0  o 270.6776 3.249214  733.6283       17.57762  738.0395       25.00629  729.3200       24.71330  0.000000       0.000000  
1 1 1 1  4  1  o 184.1274 1.565000  339.1092       5.763185  339.3254       8.154583  338.8933       8.146171  0.1172791      3.130000  
1 1 1 1  4  2  o 514.9890 4.360691  2656.555       44.90955  2633.631       62.96919  2680.286       64.06846  -4.513733      8.721382  
1 1 1 1  4  3  o 336.7280 2.852511  1134.704       19.21000  1130.414       27.06096  1139.063       27.27438  -1.282318      5.705023  
1 1 1 1  4  4  o 295.3389 2.587564  874.0033       14.83240  877.3091       18.84575  868.6226       24.04347  1.527954       5.175128  
1 1 1 1  4  5  o 198.9574 1.831012  396.3210       7.218270  394.4272       10.96800  397.7680       9.587132  -0.8567657     3.662023  
1 1 1 1  4  6  o 105.4654 1.143551  110.8131       2.258814  112.4956       3.979341  110.0133       2.743676  1.169594       2.287101  
1 1 1 1  4  7  o 373.4219 3.421176  1398.543       25.35962  1376.672       38.11646  1415.912       33.96869  -5.308868      6.842353  
1 1 1 1  4  8  o 87.08799 0.9072139 76.10582       1.567689  73.65601       2.349143  78.07285       2.104990  -2.536499      1.814428  
1 1 1 1  4  9  o 321.3230 2.736637  1030.635       17.55031  1073.855       25.84393  993.6464       23.90865  12.45978       5.473274  
1 1 1 1  4  10 o 110.6398 1.102193  121.8219       2.395766  125.6457       3.785591  119.2672       3.094256  2.878197       2.204386  
1 1 1 1  4  11 o 198.5915 1.984115  394.3724       7.873734  404.3673       11.42452  385.3297       10.86670  4.782959       3.968230  
1 1 1 1  4  12 o 116.4345 1.754861  135.6506       4.086525  135.6506       4.086525  ?              ?         ?              ?         
1 1 1 1  4  13 o 105.7340 1.080215  112.0277       2.272077  110.2276       3.378620  113.5139       3.069921  -1.560158      2.160430  
1 1 1 1  4  14 o 71.25795 0.8472815 50.74138       1.206455  52.21603       1.751205  49.40918       1.664468  1.967651       1.694563  
1 1 1 1  4  15 o 46.70251 0.9233111 21.78627       0.8613607 21.03520       1.182890  22.63408       1.256759  -1.709690      1.846622  
1 1 1 1  4  16 o 58.83853 0.9225252 34.57861       1.084396  36.29493       1.579131  33.04700       1.491735  2.756916       1.845050  
1 1 1 1  4  17 o 182.7822 1.553225  332.4189       5.576941  352.0249       8.861668  319.5614       7.176277  8.708603       3.106450  
1 1 1 1  4  18 o 90.36794 1.246828  0.000000       0.000000  ?              ?         81.85262       2.253465  ?              ?         
1 1 1 1  4  19 o 33.15247 1.104397  10.86360       0.7137335 11.89304       1.167505  10.24929       0.9018918 2.429153       2.208794  
1 1 1 1  4  20 o 32.45780 1.049425  10.56538       0.6798009 9.991024       0.9253893 11.23868       1.001934  -1.904692      2.098850  
1 1 1 1  4  21 o 33.10472 1.824474  10.81717       1.023632  10.44767       1.162343  12.09404       2.160725  -1.984196      3.648949  
1 1 1 1  4  22 o 62.68903 1.126887  39.70903       1.407750  41.28313       2.097142  38.41797       1.899253  2.200222       2.253773  
1 1 1 1  4  23 o 51.16851 1.173836  26.00478       1.098557  24.79929       1.298749  29.03614       2.059505  -3.547081      2.347672  
1 1 1 1  4  24 o 32.72660 1.271692  11.18590       0.8301700 11.08288       1.131895  11.30582       1.221267  -0.2284508     2.543384  
1 1 1 1  5  0  o 308.6537 3.703688  953.4456       22.83580  973.4733       32.96247  934.9623       31.66593  0.000000       0.000000  
1 1 1 1  5  1  o 553.9063 4.693538  3074.482       51.99460  3087.090       73.80855  3062.061       73.25750  2.250671       9.387075  
1 1 1 1  5  2  f 152.4219 1.303553  232.2044       3.971760  227.7315       5.511132  237.0380       5.729038  -3.051956      2.607107  
1 1 1 1  5  3  o 433.9951 3.676192  1885.827       31.90660  1871.515       44.79234  1900.569       45.46057  -3.338776      7.352384  
1 1 1 1  5  4  o 115.2934 1.082807  132.7261       2.465775  131.5647       3.234817  134.3367       3.809501  -1.199142      2.165614  
1 1 1 1  5  5  o 61.58051 0.8618940 37.85597       1.060124  39.26414       1.548263  36.61303       1.454599  2.152016       1.723788  
1 1 1 1  5  6  o 302.6614 3.132841  925.8816       18.15304  886.9534       30.10608  948.1201       22.75489  -10.21631      6.265683  
1 1 1 1  5  7  o 120.1031 1.090755  145.4707       2.577704  136.9869       3.955607  151.7327       3.398366  -6.141045      2.181511  
1 1 1 1  5  8  f 384.7418 5.152960  1429.852       28.01891  1560.673       74.81233  1408.509       30.21826  19.13669       10.30592  
1 1 1 1  5  9  o 81.71301 0.8723126 66.61289       1.408580  67.81778       2.175030  65.74253       1.848606  1.268669       1.744625  
1 1 1 1  5  10 o 139.4884 1.452529  194.3637       3.667108  195.2936       6.849879  193.9902       4.341685  0.4454651      2.905058  
1 1 1 1  5  11 o 181.8026 1.694857  331.6091       6.129754  322.0607       9.078375  339.6098       8.310054  -4.838791      3.389715  
1 1 1 1  5  12 o 130.7650 1.421522  171.5113       3.516434  169.9575       6.036601  172.3093       4.326230  -0.9327698     2.843044  
1 1 1 1  5  13 o 78.49579 1.097443  59.61724       1.663955  69.38211       2.817168  54.38543       2.062082  9.536949       2.194887  
1 1 1 1  5  14 o 83.18392 0.9297018 69.33307       1.540514  68.12201       2.272268  70.36320       2.095664  -1.351257      1.859404  
1 1 1 1  5  15 o 71.58200 0.8577602 50.15903       1.173587  54.99194       2.016857  47.68491       1.443050  5.088692       1.715520  
1 1 1 1  5  16 o 87.31621 1.105883  77.54243       1.768626  73.33487       3.186195  79.41626       2.126290  -3.527779      2.211766  
1 1 1 1  5  17 o 54.35354 0.9685831 30.18731       1.026112  32.85696       1.347528  26.50294       1.583039  5.860073       1.937166  
1 1 1 1  5  18 o 97.88518 1.040686  96.04246       2.019305  96.73898       3.071699  95.51234       2.679722  0.5836334      2.081371  
1 1 1 1  5  19 o 53.38734 0.8474830 28.46236       0.8986827 27.45761       1.193820  29.77633       1.365212  -2.145786      1.694966  
1 1 1 1  5  20 o 67.82208 0.8572316 46.20174       1.162678  47.09457       1.652871  45.32725       1.635811  1.299721       1.714463  
1 1 1 1  5  21 o 66.54506 1.272843  44.08421       1.581423  42.74321       1.906390  47.04313       2.831806  -2.897377      2.545686  
1 1 1 1  5  22 o 18.62899 2.304712  3.715817       0.8232370 3.739210       1.291090  3.699790       1.068663  -0.4020348     4.609424  
1 1 1 1  5  23 o 8.415024 2.541441  0.2513554      0.7265820 0.2723856      0.8939468 0.2104208      1.247200  -0.9382520     5.082882  
1 1 1 1  5  24 o 13.62619 2.726165  2.323796       0.7770129 2.121317       1.076690  2.543858       1.122464  -1.241533      5.452329  
1 1 1 1  6  0  o 189.4769 2.285774  359.3981       8.656074  361.4956       12.30594  357.3438       12.17813  0.000000       0.000000  
1 1 1 1  6  1  o 282.0519 2.394509  793.7188       13.47803  764.0446       18.34384  828.5324       19.86901  -11.41977      4.789018  
1 1 1 1  6  2  o 477.1568 4.043048  2279.930       38.57820  2301.630       55.10120  2259.066       54.03019  4.445770       8.086097  
1 1 1 1  6  3  o 191.2123 1.632001  365.7230       6.241150  365.2503       8.811771  366.1988       8.840939  -0.2478638     3.264002  
1 1 1 1  6  4  o 90.61089 0.8761564 82.18773       1.573868  82.68468       2.095135  81.54409       2.384383  0.6308060      1.752313  
1 1 1 1  6  5  o 166.8717 2.032681  264.9661       6.522625  232.6815       8.003580  328.8139       11.25537  -28.76143      4.065362  
1 1 1 1  6  6  o 46.12903 0.8668420 21.39676       0.7732454 29.03514       1.132622  14.72880       1.058232  15.50659       1.733684  
1 1 1 1  6  7  o 344.4145 3.164519  1184.150       21.49026  1168.417       28.03946  1206.549       33.45680  -5.475128      6.329038  
1 1 1 1  6  8  o 435.0084 4.520250  1896.619       37.11008  1892.738       64.11900  1898.574       45.50640  -0.9235840     9.040500  
1 1 1 1  6  9  o 207.0499 1.918220  429.1248       7.869093  430.6391       10.44879  427.1406       11.96103  0.8572693      3.836440  
1 1 1 1  6  10 f 108.9921 1.217341  119.4451       2.523062  116.8113       4.270350  120.8575       3.127268  -1.865303      2.434681  
1 1 1 1  6  11 o 46.77982 0.7614411 21.85787       0.7117372 23.22529       1.025810  20.58853       0.9883332 2.817989       1.522882  
1 1 1 1  6  12 o 102.2124 1.151309  106.3489       2.280493  96.56310       3.616107  112.8110       2.938520  -7.959106      2.302618  
1 1 1 1  6  13 o 180.9562 1.579132  327.8959       5.714882  327.9323       8.049253  327.8589       8.115279  0.2229309E-01  3.158264  
1 1 1 1  6  14 f 12.59338 1.997378  1.666488       0.4938221 2.037086       0.6942911 1.287052       0.7025213 2.882895       3.994756  
1 1 1 1  6  15 o 156.9293 1.384009  246.5185       4.341379  241.8186       6.019161  251.6145       6.267651  -3.110184      2.768019  
1 1 1 1  6  16 o 110.5372 1.377612  122.9212       2.988830  119.9754       4.672085  124.9618       3.888630  -2.300026      2.755224  
1 1 1 1  6  17 o 119.4343 1.203473  143.2144       2.846862  144.2496       3.779981  141.8575       4.327469  1.047073       2.406946  
1 1 1 1  6  18 o 41.95298 1.016180  17.53852       0.8375327 17.05804       1.080301  18.26243       1.326005  -1.409027      2.032359  
1 1 1 1  6  19 o 56.86379 0.8561367 32.52937       0.9681228 33.18611       1.308961  31.73628       1.438446  1.295013       1.712273  
1 1 1 1  6  20 o 63.16239 0.8444992 40.03489       1.065718  39.27355       1.468757  40.88139       1.548726  -1.257797      1.688998  
1 1 1 1  6  21 o 42.69064 1.466679  18.52532       1.124031  18.49328       1.325183  18.60750       2.122163  0.2007523      2.933357  
1 1 1 1  6  22 o 17.74944 2.869436  3.166950       0.8156941 4.096544       1.945728  2.968741       0.8984570 1.697886       5.738872  
1 1 1 1  6  23 o 22.76252 1.469032  5.384684       0.6669763 5.700933       0.9884586 5.120333       0.9037209 1.186674       2.938064  
1 1 1 1  6  24 o 27.74904 1.513538  8.211757       0.8356059 7.231635       1.171581  9.226575       1.192138  -3.563442      3.027075  
1 1 1 1  7  0  o 50.48052 0.7483709 25.51775       0.7547890 25.59469       1.063314  25.43962       1.071600  0.000000       0.000000  
1 1 1 1  7  1  o 168.6683 1.445658  284.4325       4.875266  288.9629       6.999300  280.1632       6.794592  2.607605       2.891315  
1 1 1 1  7  2  o 113.5368 0.9924328 128.9117       2.253471  128.1641       3.170561  129.6749       3.203472  -0.6652374     1.984866  
1 1 1 1  7  3  o 55.12129 0.7395346 30.63845       0.8081587 33.08794       1.102907  27.79831       1.187605  4.798447       1.479069  
1 1 1 1  7  4  o 119.2221 1.125612  142.3037       2.659777  141.1801       4.033645  143.1681       3.537906  -0.8373566     2.251223  
1 1 1 1  7  5  o 332.3335 3.458839  1106.483       21.68233  1107.219       37.52724  1106.114       26.56512  -0.5487061E-01 6.917678  
1 1 1 1  7  6  o 66.85421 0.9739659 44.69745       1.302274  44.69745       1.302274  ?              ?         ?              ?         
1 1 1 1  7  7  o 395.1966 3.624839  1564.966       28.39794  1573.193       37.79076  1554.294       43.04100  2.454102       7.249677  
1 1 1 1  7  8  o 108.8911 1.296111  119.0118       2.770790  116.3384       4.330465  120.8648       3.605401  -2.081390      2.592222  
1 1 1 1  7  9  o 161.7489 1.517312  262.3127       4.877623  267.5224       6.577269  255.9465       7.270749  3.583008       3.034625  
1 1 1 1  7  10 o 118.8914 1.318368  141.1048       2.943841  142.2654       5.149361  140.5413       3.587996  0.7103577      2.636735  
1 1 1 1  7  11 o 240.0013 2.532912  568.0204       11.22477  554.0601       13.41521  600.6097       20.49691  -9.513931      5.065823  
1 1 1 1  7  12 o 246.4250 2.598951  602.1964       11.89052  627.0612       21.41861  591.1196       14.29576  7.025726       5.197902  
1 1 1 1  7  13 o 93.48622 0.9017870 87.42236       1.685923  88.41797       2.405282  86.46082       2.363769  1.046013       1.803574  
1 1 1 1  7  14 o 23.16280 1.231692  5.359811       0.5699560 5.703981       0.8266706 5.047976       0.7868798 1.414837       2.463384  
1 1 1 1  7  15 o 81.61807 0.8542513 66.53584       1.392554  64.41335       1.909960  68.94460       2.034689  -2.772430      1.708503  
1 1 1 1  7  16 o 132.0894 1.295678  175.3246       3.403131  169.9259       5.048794  179.8198       4.606997  -3.770126      2.591355  
1 1 1 1  7  17 o 43.07284 1.092506  18.56606       0.9401032 19.28836       1.369538  17.92245       1.292792  1.579376       2.185012  
1 1 1 1  7  18 o 71.08974 0.9563527 50.68273       1.355527  50.74062       1.846431  50.61505       1.996342  0.1036911      1.912705  
1 1 1 1  7  19 o 31.37953 1.028129  9.904574       0.6425424 9.943031       0.8707762 9.858607       0.9520355 0.1498375      2.056257  
1 1 1 1  7  20 o 63.77187 0.8478968 40.85250       1.081389  41.39321       1.536428  40.32169       1.522299  0.8374062      1.695794  
1 1 1 1  7  21 o 77.79475 1.234555  61.38586       1.717012  61.45393       2.019964  61.20862       3.259642  0.6211090      2.469110  
1 1 1 1  7  22 o 14.57079 2.823117  2.607675       0.7996090 1.253102       1.886691  2.904254       0.8828157 -4.246448      5.646233  
1 1 1 1  7  23 o 27.59749 1.331277  7.898531       0.7346908 7.725402       1.030006  8.077850       1.048254  -0.6204529     2.662555  
1 1 1 1  7  24 o 20.70786 1.940640  4.739259       0.7986774 5.413012       1.149407  4.110243       1.110593  3.070988       3.881280  
1 1 1 1  8  0  o 466.3809 5.599894  2180.247       52.19938  2187.148       74.03983  2173.427       73.60426  0.000000       0.000000  
1 1 1 1  8  1  o 471.4659 3.996678  2226.098       37.68326  2242.577       53.68031  2210.089       52.91235  3.434692       7.993356  
1 1 1 1  8  2  o 102.4130 0.9807014 105.0831       1.993320  106.4718       2.668690  103.3306       2.997903  1.534882       1.961403  
1 1 1 1  8  3  o 86.27072 1.115441  72.77291       1.894141  83.76675       3.022623  65.66405       2.430577  10.48830       2.230883  
1 1 1 1  8  4  o 101.1969 0.9792008 102.3504       1.960311  102.9445       3.005944  101.9108       2.585840  0.5079575      1.958402  
1 1 1 1  8  5  o 129.6084 1.460559  168.4911       3.726453  165.4185       5.780151  170.6765       4.874765  -2.035431      2.921118  
1 1 1 1  8  6  o 371.0678 3.857887  1382.146       27.09538  1388.225       33.35353  1370.350       46.46433  2.611755       7.715773  
1 1 1 1  8  7  o 247.2731 2.736590  606.5320       13.11144  591.1253       16.50130  632.9165       21.59425  -8.407455      5.473180  
1 1 1 1  8  8  o 365.5858 3.366309  1330.520       24.17536  1377.025       38.23980  1299.558       31.20198  10.51343       6.732618  
1 1 1 1  8  9  o 196.1199 2.637787  392.2250       8.547986  398.0372       9.705682  372.1285       18.04752  6.701035       5.275575  
1 1 1 1  8  10 o 114.4721 1.126940  131.2912       2.563121  129.1243       3.834819  133.0408       3.445894  -1.714066      2.253879  
1 1 1 1  8  11 o 83.29666 0.9102395 69.47398       1.506236  70.04568       2.021106  68.75980       2.258965  0.7742462      1.820479  
1 1 1 1  8  12 o 56.66263 0.9786136 32.47281       1.096797  28.07147       1.592982  36.43993       1.512366  -7.385639      1.957227  
1 1 1 1  8  13 o 86.24438 0.9353456 74.45571       1.598203  74.68654       2.121568  74.15287       2.430125  0.3154221      1.870691  
1 1 1 1  8  14 o 112.7206 1.045286  127.1211       2.355884  128.7630       3.378416  125.5669       3.286912  1.415291       2.090572  
1 1 1 1  8  15 o 249.9529 2.323448  629.2720       11.53593  615.6811       17.25130  640.2648       15.51503  -5.050629      4.646896  
1 1 1 1  8  16 o 62.79665 0.8651218 39.56511       1.080202  40.38869       1.459795  38.56841       1.605912  1.455269       1.730244  
1 1 1 1  8  17 o 85.50130 0.9840751 73.45792       1.664441  71.92453       2.534609  74.62055       2.206999  -1.602554      1.968150  
1 1 1 1  8  18 o 16.51311 1.985531  2.891001       0.6039863 3.088509       0.7558193 2.542025       1.004670  1.993859       3.971063  
1 1 1 1  8  19 o 47.60487 0.8333220 22.70620       0.7926383 24.11340       1.145582  21.41380       1.097860  2.828148       1.666644  
1 1 1 1  8  20 o 44.79487 0.8586147 20.12727       0.7685488 19.16837       1.061771  21.18260       1.113885  -2.237900      1.717229  
1 1 1 1  8  21 o 13.18339 2.487198  1.926065       0.6552045 2.025330       0.8192428 1.749877       1.091446  0.9786358      4.974397  
1 1 1 1  8  22 f 12.06212 2.778349  1.722228       0.8322354 -0.3664876     1.843857  2.256611       0.9326395 -4.350008      5.556698  
1 1 1 1  8  23 o 8.523607 2.405395  0.4681621      0.6437575 -0.2680062E-01 0.9079601 0.9685047      0.9128813 -2.391221      4.810791  
1 1 1 1  8  24 o 17.23483 2.313940  3.460757       0.7795833 3.177754       1.115950  3.730515       1.089520  -1.966410      4.627880  
1 1 1 1  9  0  o 89.98988 1.641682  81.05078       2.947597  78.86326       4.063579  83.47985       4.282061  0.000000       0.000000  
1 1 1 1  9  1  o 113.2777 1.285388  128.8671       2.871591  131.6603       3.782418  125.0667       4.411968  2.913574       2.570775  
1 1 1 1  9  2  o 174.2452 1.927478  304.8610       6.619275  297.1341       10.20533  310.4724       8.696744  -3.841324      3.854956  
1 1 1 1  9  3  o 187.6432 1.737922  352.1766       6.452219  353.0945       9.880653  351.4941       8.519528  0.4111938      3.475843  
1 1 1 1  9  4  o 145.7567 1.365988  212.5912       3.943612  212.0182       6.004871  213.0257       5.229414  -0.3523560     2.731977  
1 1 1 1  9  5  o 164.4809 1.419227  270.3972       4.665912  264.7085       6.464408  276.5840       6.741504  -3.608093      2.838455  
1 1 1 1  9  6  o 396.8550 3.638163  1577.406       28.58740  1578.739       37.85568  1575.638       43.60950  0.4702454      7.276325  
1 1 1 1  9  7  o 394.4587 3.459590  1557.508       26.43117  1557.432       33.44287  1557.634       43.14088  0.7266235E-01  6.919180  
1 1 1 1  9  8  o 508.7066 4.321541  2592.007       43.95488  2556.739       61.27167  2629.402       63.09143  -7.112579      8.643083  
1 1 1 1  9  9  o 325.6784 4.451880  1029.267       22.16304  1011.100       24.33932  1117.441       53.62196  -15.72189      8.903760  
1 1 1 1  9  10 o 78.75165 0.8360400 61.99409       1.316280  63.21027       1.893855  60.85762       1.830751  1.493279       1.672080  
1 1 1 1  9  11 o 142.0258 1.362122  201.7121       3.826042  202.6816       5.871625  200.9967       5.043893  0.5799103      2.724245  
1 1 1 1  9  12 o 28.60518 1.287807  8.173019       0.7360539 7.802361       1.015033  8.584085       1.068932  -1.365318      2.575615  
1 1 1 1  9  13 o 217.8335 2.028855  475.5531       8.741734  474.3563       11.53211  477.1699       13.40315  -0.5603333     4.057711  
1 1 1 1  9  14 o 189.1855 1.645120  358.3486       6.220966  350.8795       8.620046  366.4670       8.986970  -4.103775      3.290239  
1 1 1 1  9  15 o 105.3218 1.004149  110.9488       2.114252  113.8891       3.045547  108.2135       2.937393  2.690742       2.008297  
1 1 1 1  9  16 o 96.76941 0.9602347 93.61227       1.856301  96.91817       2.705171  90.67027       2.551937  3.220711       1.920469  
1 1 1 1  9  17 o 24.13931 1.282165  5.844253       0.6184933 5.520487       0.8601694 6.190829       0.8899542 -1.385132      2.564330  
1 1 1 1  9  18 o 46.02805 0.8225678 21.23366       0.7571248 21.22390       1.062071  21.24375       1.079617  -0.1985550E-01 1.645136  
1 1 1 1  9  19 f 70.53616 0.8443376 49.88421       1.190256  48.52345       1.645277  51.37836       1.724035  -2.011322      1.688675  
1 1 1 1  9  20 o 11.88838 2.137492  1.461007       0.5429372 0.7262206      0.7424733 2.305502       0.7959738 -5.747458      4.274984  
1 1 1 1  9  21 o 20.01747 1.517740  4.141129       0.6012562 4.688009       0.8362556 3.555890       0.8650865 2.843864       3.035479  
1 1 1 1  9  22 o 31.88192 1.972091  12.58877       0.9642610 7.648767       1.923947  14.24591       1.114317  -11.08823      3.944181  
1 1 1 1  9  23 o 14.60175 2.289665  2.450876       0.6518005 2.279084       0.9144778 2.628270       0.9292703 -1.142978      4.579329  
1 1 1 1  9  24 o 33.39220 1.290053  11.66894       0.8615178 11.69946       1.213892  11.63796       1.222898  0.1035461      2.580107  
1 1 1 1  10 0  o 159.2625 1.947589  253.9033       6.198817  251.5406       8.693539  256.3470       8.841229  0.000000       0.000000  
1 1 1 1  10 1  o 168.5295 1.450763  283.4790       4.881760  294.5661       7.158572  273.8406       6.674520  6.145294       2.901527  
1 1 1 1  10 2  o 16.87078 0.9229937 2.862580       0.3090739 2.466601       0.4383897 3.253920       0.4358146 -2.333398      1.845987  
1 1 1 1  10 3  o 207.4525 1.916563  430.8129       7.874567  429.6307       11.99394  431.7086       10.43976  -0.5210114     3.833127  
1 1 1 1  10 4  o 247.9373 2.442844  615.0245       12.10914  605.2857       16.85586  625.4110       17.40727  -4.051041      4.885688  
1 1 1 1  10 5  o 140.4004 1.327889  196.2179       3.668376  192.0578       4.753999  202.3406       5.767347  -3.656113      2.655778  
1 1 1 1  10 6  o 357.2280 3.034702  1277.016       21.67809  1263.283       30.32951  1291.360       30.99625  -3.922791      6.069403  
1 1 1 1  10 7  o 126.5466 1.227651  160.0367       3.078619  159.2514       4.081642  161.0729       4.688900  -0.7174683     2.455302  
1 1 1 1  10 8  o 130.7060 1.190762  170.7938       3.111760  173.6285       4.470939  168.1306       4.333658  2.102493       2.381524  
1 1 1 1  10 9  o 232.0201 3.248026  537.0607       12.99665  534.9761       14.96239  543.4672       26.23061  -1.636368      6.496052  
1 1 1 1  10 10 o 44.88896 0.9638548 20.15726       0.8490751 20.16740       1.099553  20.14228       1.336328  0.2997589E-01  1.927710  
1 1 1 1  10 11 o 42.86467 0.9035802 18.29205       0.7707316 19.20939       1.160136  17.56731       1.031182  1.913952       1.807160  
1 1 1 1  10 12 f 67.43782 0.7971991 45.46770       1.074938  46.68740       1.541238  44.31244       1.499985  1.760307       1.594398  
1 1 1 1  10 13 o 124.8714 1.229297  156.4590       3.046678  159.2406       4.085073  152.9725       4.573481  2.524399       2.458595  
1 1 1 1  10 14 o 78.58296 0.8550720 61.72044       1.342876  63.45789       1.945501  60.13937       1.855893  2.109406       1.710144  
1 1 1 1  10 15 o 48.35609 0.8995810 23.31176       0.8639228 24.13345       1.310834  22.68076       1.148700  1.497086       1.799162  
1 1 1 1  10 16 o 40.26571 1.079591  16.49800       0.8392133 17.30801       1.071449  15.21236       1.349856  2.619053       2.159182  
1 1 1 1  10 17 o 111.8456 1.140146  125.3518       2.523161  126.6841       3.870184  124.3670       3.327554  0.9783936      2.280292  
1 1 1 1  10 18 o 73.87785 0.8322240 54.71467       1.229618  55.28616       1.740565  54.14531       1.737324  0.7717819      1.664448  
1 1 1 1  10 19 o 31.47551 0.9939390 9.959151       0.6255903 9.720969       0.8767616 10.20618       0.8928955 -0.7675877     1.987878  
1 1 1 1  10 20 o 62.66602 0.9244508 39.65697       1.143265  38.57936       1.752989  40.45457       1.508139  -1.553528      1.848902  
1 1 1 1  10 21 o 8.389576 2.414299  0.3548782      0.6460863 0.6991492      0.7796410 -0.3998426     1.154350  1.093513       4.828598  
1 1 1 1  10 22 o 12.38832 3.323052  1.434259       1.002628  2.162341       2.053031  1.206225       1.148959  2.962304       6.646103  
1 1 1 1  10 23 o 11.47254 2.514566  1.530971       0.6352751 1.566463       0.9278413 1.499650       0.8716211 0.2135000      5.029133  
1 1 1 1  10 24 o 17.45506 2.268089  3.565733       0.7650836 4.483189       1.102055  2.712176       1.062985  5.237815       4.536179  
1 1 1 1  11 0  o 50.44435 0.8618667 25.49249       0.8683961 25.58565       1.229034  25.39961       1.227163  0.000000       0.000000  
1 1 1 1  11 1  o 149.4431 1.297905  223.4011       3.879242  223.0193       5.475890  223.7857       5.496320  -0.2562561     2.595811  
1 1 1 1  11 2  o 70.21439 0.9001697 49.57821       1.247303  47.54749       1.905347  51.10108       1.649987  -2.532097      1.800339  
1 1 1 1  11 3  o 38.78716 0.7974800 15.01452       0.6019145 14.91086       0.7659407 15.18191       0.9733148 -0.3484039     1.594960  
1 1 1 1  11 4  o 59.57046 0.7152728 35.60790       0.8459577 36.56464       1.138654  34.42920       1.263845  1.792805       1.430546  
1 1 1 1  11 5  o 223.6589 1.918746  500.0274       8.577632  511.7499       12.39633  489.2589       11.88127  5.024048       3.837492  
1 1 1 1  11 6  o 174.5201 1.512451  304.3957       5.275980  311.3249       7.620706  298.0173       7.311616  3.811188       3.024902  
1 1 1 1  11 7  o 265.2245 2.266215  703.2693       12.01486  718.6341       17.33396  689.0610       16.66873  5.570221       4.532430  
1 1 1 1  11 8  o 200.5132 1.787782  403.3470       6.976664  407.2155       8.917080  397.2412       11.20237  2.504761       3.575565  
1 1 1 1  11 9  o 214.3776 2.985227  466.9626       11.35149  474.9860       13.33736  445.8759       21.62204  6.942825       5.970454  
1 1 1 1  11 10 o 126.5761 1.251425  160.4387       3.138609  161.4538       4.171459  159.1143       4.764812  0.9311218      2.502849  
1 1 1 1  11 11 o 171.2239 1.729775  293.5121       5.923574  293.7485       8.382889  293.2763       8.371522  0.1376343      3.459551  
1 1 1 1  11 12 o 184.9594 1.612462  342.3850       5.962613  336.8630       8.297791  348.2805       8.573795  -3.078537      3.224924  
1 1 1 1  11 13 o 115.7702 1.078232  133.8182       2.492521  128.7652       3.409008  139.6222       3.653604  -4.682365      2.156463  
1 1 1 1  11 14 o 80.55977 0.8745739 64.84939       1.407460  63.20694       1.935226  66.69368       2.050687  -2.161209      1.749148  
1 1 1 1  11 15 o 104.5112 1.090621  109.7292       2.266258  105.5099       3.355370  113.2685       3.073140  -3.722626      2.181241  
1 1 1 1  11 16 o 50.32995 1.106874  25.30810       1.107952  24.68683       1.482291  26.09463       1.667828  -1.385757      2.213748  
1 1 1 1  11 17 o 49.74648 1.055763  24.80010       1.049834  25.49978       1.515752  24.15498       1.455460  1.345486       2.111527  
1 1 1 1  11 18 o 64.25584 0.8191834 41.34205       1.052020  42.66283       1.522813  40.13618       1.455060  1.958874       1.638367  
1 1 1 1  11 19 f 73.46619 0.8417010 54.13191       1.235683  52.54259       1.705145  55.88964       1.793219  -2.262169      1.683402  
1 1 1 1  11 20 f 40.95452 1.019302  16.80719       0.8207242 17.44176       1.295093  16.38132       1.060965  1.229774       2.038605  
1 1 1 1  11 21 o 58.71561 1.112338  34.63425       1.295882  32.83615       1.710649  37.05571       1.985141  -3.482422      2.224677  
1 1 1 1  11 22 o 31.95014 2.060455  0.000000       0.000000  ?              ?         10.57694       1.316636  ?              ?         
1 1 1 1  11 23 o 15.60994 2.327257  2.875251       0.7096799 3.386307       0.9438986 2.210671       1.076377  4.166753       4.654514  
1 1 1 1  11 24 o 22.02132 1.965292  5.540165       0.8391955 5.106843       1.317347  5.836112       1.088683  -2.177824      3.930584  
1 1 1 1  12 0  o 12.05492 2.868170  1.871304       0.6759702 2.759603       0.9970173 1.115598       0.9196011 0.000000       0.000000  
1 1 1 1  12 1  o 43.44633 0.7048567 18.77900       0.6108035 20.31015       0.9048863 17.49743       0.8278573 3.236645       1.409713  
1 1 1 1  12 2  o 149.4993 1.406519  223.7245       4.165466  224.6628       5.529049  222.4930       6.334470  0.7325897      2.813039  
1 1 1 1  12 3  o 75.41328 0.8109456 56.99084       1.213645  57.83195       1.625115  55.93020       1.824915  1.261726       1.621891  
1 1 1 1  12 4  o 324.0182 2.757418  1050.623       17.86596  1039.134       24.98666  1062.641       25.55551  -3.620636      5.514836  
1 1 1 1  12 5  o 111.0140 1.012577  123.2536       2.248200  123.6150       3.182874  122.8938       3.176008  0.3247757      2.025155  
1 1 1 1  12 6  o 368.1930 3.376563  1358.824       24.66791  1372.307       32.96921  1341.678       37.18062  4.201233       6.753125  
1 1 1 1  12 7  o 92.52858 0.9860128 85.55173       1.805225  86.11528       2.766497  85.13384       2.382311  0.5289841      1.972026  
1 1 1 1  12 8  o 144.3976 1.655412  207.8949       4.674166  205.3757       5.991912  211.8109       7.470530  -2.217117      3.310825  
1 1 1 1  12 9  f 117.7145 1.398592  138.5916       3.248072  138.4266       4.256273  138.8218       5.026033  -0.1598740     2.797183  
1 1 1 1  12 10 o 158.7314 1.520242  252.5213       4.788646  248.8596       7.209867  255.4117       6.405589  -2.076370      3.040483  
1 1 1 1  12 11 o 131.4700 1.387244  172.9446       3.647039  171.2024       5.103310  174.7630       5.213850  -1.351929      2.774487  
1 1 1 1  12 12 o 131.3353 1.390333  172.0664       3.642860  180.8760       5.388134  164.6492       4.944033  6.166031       2.780666  
1 1 1 1  12 13 o 54.25000 1.013528  29.11343       1.093239  25.65762       1.461160  33.50821       1.647751  -7.230804      2.027056  
1 1 1 1  12 14 o 83.33482 0.9062539 69.44164       1.509789  67.70107       2.097581  71.31281       2.174845  -2.164909      1.812508  
1 1 1 1  12 15 o 74.81853 0.9576155 55.12438       1.392772  59.79247       2.292461  52.39325       1.753490  4.925850       1.915231  
1 1 1 1  12 16 o 29.98670 1.336136  9.150727       0.7740757 8.494281       1.245117  9.564279       0.9882691 -1.806150      2.672271  
1 1 1 1  12 17 o 65.98441 1.043076  43.60176       1.366850  44.28272       2.066124  43.07181       1.822714  0.8918915      2.086152  
1 1 1 1  12 18 o 70.21228 0.9043447 49.30696       1.252865  48.59761       1.637269  50.30920       1.946128  -1.181763      1.808689  
1 1 1 1  12 19 o 13.42844 2.144054  1.922482       0.5613840 1.904706       0.7679161 1.942889       0.8227512 -0.1118689     4.288108  
1 1 1 1  12 20 o 76.54195 0.9554662 59.13144       1.459233  56.97552       2.112844  61.09771       2.017772  -2.718697      1.910932  
1 1 1 1  12 21 o 13.01216 2.218409  1.894193       0.6076600 2.543351       0.8090985 1.054282       0.9203286 5.338623       4.436817  
1 1 1 1  12 22 o 14.88781 3.081759  0.000000       0.000000  ?              ?         2.476154       0.8865966 ?              ?         
1 1 1 1  12 23 o 9.002161 2.538531  0.6911547      0.6866124 0.7272155      0.9261658 0.6471516      1.023086  -0.1549053E-01 5.077061  
1 1 1 1  12 24 o 9.710345 2.742444  1.035306       0.7959555 1.106571       1.234348  0.9845796      1.041392  0.4757118      5.484889  
1 1 1 1  13 0  o 57.75956 0.9419563 33.41747       1.086847  33.54078       1.536754  33.29408       1.537313  0.000000       0.000000  
1 1 1 1  13 1  o 156.4355 1.360952  244.7024       4.256827  248.4392       6.108202  241.1737       5.935633  2.320877       2.721903  
1 1 1 1  13 2  o 207.0817 1.778225  429.0240       7.364739  428.5363       10.40232  429.5142       10.42836  -0.2358856     3.556450  
1 1 1 1  13 3  o 342.0900 2.907562  1171.401       19.89144  1162.951       27.92378  1180.106       28.34238  -2.501862      5.815124  
1 1 1 1  13 4  o 129.2381 1.148387  166.9147       2.966504  170.7378       4.286623  163.4010       4.109519  2.837708       2.296773  
1 1 1 1  13 5  o 115.0940 1.048530  132.4060       2.412578  130.0791       3.353662  134.9018       3.473284  -2.094696      2.097060  
1 1 1 1  13 6  f 213.9181 1.988343  457.5107       8.412797  456.0572       11.09414  459.4775       12.90516  -0.7884674     3.976685  
1 1 1 1  13 7  o 298.1353 2.543142  889.4077       15.16283  896.7510       21.60764  882.2833       21.28300  2.423035       5.086285  
1 1 1 1  13 8  o 82.36239 1.121417  64.49259       1.729553  58.96335       2.068127  77.35612       3.154459  -11.15958      2.242834  
1 1 1 1  13 9  o 100.4362 1.132205  101.9980       2.097863  103.7985       2.531485  98.05067       3.748321  2.872482       2.264410  
1 1 1 1  13 10 o 30.14362 1.439273  8.773783       0.7872317 9.848375       1.501964  8.366756       0.9243767 2.448326       2.878545  
1 1 1 1  13 11 o 144.7501 1.413742  208.1656       4.010903  217.2463       6.400181  202.2929       5.146987  5.138901       2.827483  
1 1 1 1  13 12 o 208.0485 1.956188  433.8872       8.052010  434.5322       10.64031  433.0226       12.31742  0.4281158      3.912377  
1 1 1 1  13 13 o 72.44142 0.8805670 52.45248       1.274735  53.77355       1.848547  51.25468       1.760192  1.736603       1.761134  
1 1 1 1  13 14 o 210.1601 1.974658  442.8770       8.208013  445.4511       12.59472  440.9766       10.82174  0.9542847      3.949317  
1 1 1 1  13 15 o 157.6059 1.520128  249.0682       4.745728  249.2652       6.292924  248.8085       7.226446  0.2007446      3.040257  
1 1 1 1  13 16 o 90.28163 0.9347605 81.63748       1.687810  81.08035       2.380144  82.20099       2.393761  -0.6197968     1.869521  
1 1 1 1  13 17 o 40.51558 0.9869337 16.65020       0.7892923 14.99706       1.178405  17.99528       1.062957  -3.711903      1.973867  
1 1 1 1  13 18 o 99.23755 1.066063  99.01924       2.095244  99.44756       2.779560  98.45556       3.188628  0.5644150      2.132126  
1 1 1 1  13 19 o 64.21914 0.8369898 41.37333       1.074423  40.22750       1.489520  42.61615       1.551288  -1.848862      1.673980  
1 1 1 1  13 20 o 19.55612 1.637861  3.921910       0.6380616 3.593776       0.9134824 4.234529       0.8916255 -1.648514      3.275721  
1 1 1 1  13 21 o 44.91731 0.9295646 20.38578       0.8333799 21.99518       1.183882  18.80492       1.173343  3.547417       1.859129  
1 1 1 1  13 22 o 12.72093 3.046115  1.804516       0.8271724 2.006292       1.739391  1.745548       0.9403028 0.8654308      6.092231  
1 1 1 1  13 23 o 14.51550 2.405696  2.515879       0.6960785 3.154798       0.9874516 1.884788       0.9813840 4.119511       4.811393  
1 1 1 1  13 24 o 27.14449 1.498443  7.982861       0.8128031 7.875212       1.167700  8.084043       1.132082  -0.4543591     2.996886  
1 1 1 1  14 0  o 67.07005 1.019173  45.03640       1.365510  45.84785       1.951542  44.25805       1.911330  0.000000       0.000000  
1 1 1 1  14 1  o 300.0508 2.555260  901.0522       15.33360  896.2754       21.57447  905.9283       21.79722  -1.605865      5.110520  
1 1 1 1  14 2  o 313.1980 2.666307  981.5381       16.69810  993.9709       23.91310  969.7072       23.32717  3.866638       5.332613  
1 1 1 1  14 3  o 127.2336 1.138096  161.9052       2.896049  161.4053       4.084025  162.4107       4.107339  -0.3949966     2.276192  
1 1 1 1  14 4  o 285.9907 2.438700  818.2809       13.94756  825.4960       19.89274  811.3043       19.56110  2.478363       4.877400  
1 1 1 1  14 5  o 175.2502 1.522609  306.8647       5.332533  314.9048       7.729414  299.5622       7.366361  4.375702       3.045218  
1 1 1 1  14 6  o 145.6182 1.395469  211.2323       4.002812  207.3028       5.203967  216.9256       6.263922  -3.299026      2.790938  
1 1 1 1  14 7  o 158.4503 1.511889  250.5019       4.725427  247.3821       6.172807  254.9182       7.344367  -2.370316      3.023778  
1 1 1 1  14 8  o 154.0039 1.570909  236.8626       4.831448  244.5269       7.065248  230.1305       6.621697  4.669739       3.141817  
1 1 1 1  14 9  o 102.0282 1.391989  103.4637       2.825321  97.93909       3.769149  110.5490       4.268494  -6.173416      2.783977  
1 1 1 1  14 10 o 57.23815 1.039866  32.38503       1.183078  36.61504       1.796688  29.14690       1.571985  6.520828       2.079731  
1 1 1 1  14 11 o 190.4040 1.665862  362.9172       6.342680  359.2393       8.873384  366.7598       9.069647  -1.969681      3.331725  
1 1 1 1  14 12 o 109.5637 1.147519  120.4398       2.495857  117.5696       3.741493  122.7410       3.350188  -2.369987      2.295038  
1 1 1 1  14 13 o 118.9972 1.124889  141.7332       2.677165  142.1364       3.791116  141.3321       3.781071  0.3376694      2.249778  
1 1 1 1  14 14 f 117.8569 1.197245  139.0951       2.797863  139.0302       4.243116  139.1450       3.721542  -0.6918335E-01 2.394490  
1 1 1 1  14 15 o 36.35846 1.156527  13.29582       0.8369792 13.96543       1.148107  12.53632       1.222751  1.969070       2.313055  
1 1 1 1  14 16 o 18.62022 2.176990  3.044308       0.7362489 1.475201       0.8906234 6.430980       1.308441  -13.30918      4.353980  
1 1 1 1  14 17 o 48.91977 0.8486519 23.98297       0.8302533 23.97955       1.181463  23.98630       1.166981  -0.8193970E-02 1.697304  
1 1 1 1  14 18 o 105.8427 1.035170  112.5746       2.190778  114.7144       3.140588  110.5465       3.057537  1.953850       2.070340  
1 1 1 1  14 19 o 21.82325 1.593357  4.869297       0.6898226 4.241213       0.9876670 5.467492       0.9638808 -2.817606      3.186715  
1 1 1 1  14 20 o 43.15877 1.090856  18.81098       0.9411954 19.39585       1.328864  18.22224       1.333249  1.361000       2.181713  
1 1 1 1  14 21 o 19.35526 1.887198  4.082520       0.6732117 4.512475       0.8594948 3.400033       1.082876  3.282719       3.774396  
1 1 1 1  14 22 o 28.30003 1.957669  9.041424       0.9140185 7.693770       1.842339  9.481425       1.052708  -4.120459      3.915338  
1 1 1 1  14 23 f 19.95632 1.798337  4.320752       0.7172896 4.168104       1.016829  4.471951       1.011990  -0.7693119     3.596674  
1 1 1 1  14 24 o 21.96729 1.809071  5.411020       0.7872297 6.275187       1.125550  4.583443       1.101463  3.794703       3.618142  
1 1 1 1  15 0  o 270.0696 3.266076  729.8634       17.61824  746.7090       25.47941  714.4297       24.38830  0.000000       0.000000  
1 1 1 1  15 1  o 489.6002 4.156969  2401.626       40.70092  2380.980       57.07056  2422.995       58.06182  -4.273621      8.313938  
1 1 1 1  15 2  o 281.2714 2.399771  791.6415       13.49974  791.5396       19.08766  791.7435       19.09537  -0.3616333E-01 4.799542  
1 1 1 1  15 3  o 158.9106 1.390275  252.4363       4.416738  257.1392       6.358470  248.0515       6.139694  2.858292       2.780550  
1 1 1 1  15 4  o 259.5120 2.222210  673.6128       11.53188  680.9038       16.49047  666.6349       16.13250  2.746765       4.444420  
1 1 1 1  15 5  o 44.87682 0.9502071 20.13479       0.8523861 21.07584       1.216490  19.22714       1.194716  2.059681       1.900414  
1 1 1 1  15 6  o 244.1984 2.575908  593.4930       11.76611  587.6135       14.26613  605.9999       20.80709  -3.699127      5.151817  
1 1 1 1  15 7  o 250.0400 2.638258  621.1750       12.31036  638.5440       21.90140  613.1531       14.88408  4.991043       5.276515  
1 1 1 1  15 8  o 529.1514 5.217628  2814.415       55.19316  2762.546       76.66788  2870.215       79.52006  -10.06256      10.43526  
1 1 1 1  15 9  o 157.2507 1.809066  242.3143       5.426745  231.0718       6.661014  264.5057       9.358409  -10.58273      3.618131  
1 1 1 1  15 10 o 198.6592 1.866424  394.6790       7.331277  391.8479       9.649987  398.5434       11.27452  -1.643677      3.732847  
1 1 1 1  15 11 o 207.0583 1.952514  430.0562       8.011438  433.4217       10.65592  425.6805       12.15037  1.920425       3.905029  
1 1 1 1  15 12 o 262.7419 2.264955  692.4818       11.89756  704.6215       17.10953  681.1154       16.55553  4.442108       4.529910  
1 1 1 1  15 13 o 34.99746 1.251135  12.60849       0.8512894 9.869886       1.259118  14.91439       1.155372  -7.210369      2.502270  
1 1 1 1  15 14 o 101.7414 1.025812  103.3682       2.084223  108.0927       3.051485  99.23689       2.853535  4.345222       2.051624  
1 1 1 1  15 15 o 63.96965 1.040228  40.94501       1.327232  41.50274       1.956340  40.46940       1.806571  0.7998161      2.080455  
1 1 1 1  15 16 o 88.31573 1.270092  76.06805       2.102762  72.21223       2.532544  84.62598       3.772974  -6.897896      2.540184  
1 1 1 1  15 17 o 50.37696 0.8477212 25.42159       0.8535600 25.08144       1.182807  25.79121       1.232988  -0.6997833     1.695442  
1 1 1 1  15 18 o 56.98412 0.8465950 32.59307       0.9647943 32.62907       1.357600  32.55635       1.371354  0.6594467E-01  1.693190  
1 1 1 1  15 19 o 42.45795 1.024653  18.14122       0.8695275 18.28522       1.254645  18.00813       1.206182  0.3152046      2.049306  
1 1 1 1  15 20 o 15.56412 2.555257  2.459045       0.7221969 3.147453       1.365107  2.191485       0.8510486 2.583654       5.110514  
1 1 1 1  15 21 o 16.41670 2.186548  2.799795       0.6719036 2.465012       0.8385195 3.400363       1.123085  -2.540640      4.373096  
1 1 1 1  15 22 o 14.40634 2.969786  2.311199       0.8217291 2.971797       1.633658  2.087452       0.9507599 1.931039       5.939572  
1 1 1 1  15 23 o 21.93314 2.087090  5.661555       0.7955363 2.888388       1.114385  8.543574       1.136045  -13.07366      4.174179  
1 1 1 1  16 0  o 432.4725 5.202877  1874.117       44.96377  1850.911       62.82664  1898.484       64.37851  0.000000       0.000000  
1 1 1 1  16 1  o 79.20948 0.8066830 62.72383       1.277660  63.76234       1.830444  61.73712       1.784210  1.278259       1.613366  
1 1 1 1  16 2  o 339.1181 2.886638  1150.889       19.57755  1145.450       27.54997  1156.437       27.82577  -1.617126      5.773276  
1 1 1 1  16 3  f 207.8858 1.792019  432.1984       7.449510  427.7107       10.42337  436.8841       10.65070  -2.205109      3.584038  
1 1 1 1  16 4  o 252.3055 2.162738  636.8318       10.91340  636.4443       15.41797  637.2208       15.44983  -0.1536865     4.325476  
1 1 1 1  16 5  o 180.8924 1.577852  327.2910       5.708277  328.9011       8.108953  325.7093       8.036975  0.8818207      3.155705  
1 1 1 1  16 6  o 60.78899 1.044148  36.40907       1.224469  38.99720       2.050030  34.97362       1.526727  3.307079       2.088297  
1 1 1 1  16 7  o 129.5371 1.354866  166.8120       3.495036  157.2956       4.685974  178.7431       5.246908  -8.274216      2.709733  
1 1 1 1  16 8  o 179.4522 2.525297  332.1084       8.207067  299.4970       14.87659  346.3758       9.839921  -13.16461      5.050595  
1 1 1 1  16 9  o 161.3032 1.534349  260.2361       4.896556  261.3631       7.503017  259.4000       6.462457  0.5907288      3.068698  
1 1 1 1  16 10 o 127.3562 1.209428  161.6331       2.977747  159.7545       3.746793  164.8540       4.906143  -1.981750      2.418856  
1 1 1 1  16 11 o 60.31942 0.9987737 36.28339       1.188793  37.12815       1.847611  35.68660       1.552939  1.189365       1.997547  
1 1 1 1  16 12 o 58.16244 0.9434783 33.76934       1.090957  33.13933       1.458882  34.56861       1.643205  -1.224316      1.886957  
1 1 1 1  16 13 o 22.91649 1.664106  5.220047       0.7593897 5.912750       1.131333  4.652015       1.024478  2.745590       3.328211  
1 1 1 1  16 14 o 150.2918 1.464178  227.0002       4.381306  234.2003       5.977911  218.6437       6.440073  5.199142       2.928355  
1 1 1 1  16 15 o 27.46139 1.394519  7.538392       0.7642695 6.911485       1.048209  8.249928       1.116722  -2.431278      2.789037  
1 1 1 1  16 16 o 95.93120 1.073300  92.51237       2.046014  90.39597       3.053052  94.23774       2.756606  -2.031921      2.146600  
1 1 1 1  16 17 o 31.62418 1.151354  9.823262       0.7179443 8.783548       0.9253607 11.39556       1.137945  -4.099691      2.302707  
1 1 1 1  16 18 o 87.82732 0.9349494 77.48892       1.642191  77.18456       2.308475  77.80074       2.336598  -0.3458710     1.869899  
1 1 1 1  16 19 o 7.504446 2.273365  -0.3627354E-04 0.6101829 0.1531301      0.8201922 -0.1898795     0.9131275 0.3335266      4.546730  
1 1 1 1  16 20 o 11.89273 2.429818  1.537021       0.6125769 1.686157       0.8410616 1.368524       0.8939880 1.096516       4.859635  
1 1 1 1  16 21 o 18.57353 1.890626  3.567371       0.6984799 4.114946       1.043987  3.123629       0.9398063 2.582432       3.781252  
1 1 1 1  16 22 o 18.73460 2.701346  4.415727       0.8629858 3.409520       1.700736  4.764633       1.001493  -4.982845      5.402692  
1 1 1 1  16 23 o 9.169273 2.626818  0.6427132      0.7619891 1.187708       1.137486  0.1990534      1.026301  2.364173       5.253636  
1 1 1 1  17 0  o 206.5189 2.522692  426.9277       10.41127  431.3690       14.87419  422.6617       14.57782  0.000000       0.000000  
1 1 1 1  17 1  o 294.3838 2.511903  867.0374       14.78841  872.6513       21.05107  861.5676       20.77952  1.880432       5.023806  
1 1 1 1  17 2  o 120.7371 1.099318  145.7107       2.653521  143.1344       3.690282  148.4687       3.818283  -2.208649      2.198636  
1 1 1 1  17 3  o 242.9799 2.086323  590.4996       10.13723  584.4869       14.19156  596.7639       14.48538  -2.524490      4.172646  
1 1 1 1  17 4  f 178.7555 1.561792  319.2341       5.578689  328.2268       8.097367  311.1091       7.696781  4.785889       3.123585  
1 1 1 1  17 5  o 91.96479 1.087789  84.49390       1.998947  82.53506       2.757274  86.66400       2.902164  -2.244202      2.175578  
1 1 1 1  17 6  o 289.4639 2.673369  838.4276       15.31180  836.8223       20.22175  840.5850       23.44159  -0.6089172     5.346737  
1 1 1 1  17 7  o 319.4376 4.319432  1024.424       22.08381  1024.031       49.30981  1024.523       24.69936  -0.8027649     8.638864  
1 1 1 1  17 8  o 48.26434 1.236847  23.32687       1.192170  23.80030       1.652216  22.81267       1.721909  1.023949       2.473694  
1 1 1 1  17 9  o 45.39348 0.9746462 20.61153       0.8828207 20.59562       1.208034  20.62976       1.293318  -0.3654861E-01 1.949292  
1 1 1 1  17 10 o 115.4657 1.245255  133.3819       2.875289  135.3983       4.108070  131.4455       4.025726  1.710098       2.490510  
1 1 1 1  17 11 o 160.5839 1.478163  257.6104       4.588160  255.9145       5.778833  260.5025       7.546679  -1.374634      2.956326  
1 1 1 1  17 12 o 34.90332 1.148794  12.19884       0.8015912 12.43298       1.124651  11.95708       1.142810  0.6822777      2.297588  
1 1 1 1  17 13 o 58.82765 0.9312753 34.59978       1.095149  33.51118       1.520298  35.77395       1.578915  -1.921528      1.862551  
1 1 1 1  17 14 o 63.16327 1.086840  39.94618       1.372584  39.93588       1.964342  39.95601       1.918715  -0.1779556E-01 2.173680  
1 1 1 1  17 15 o 82.86887 1.107175  68.80336       1.833046  68.32221       2.530384  69.33468       2.659034  -0.6016083     2.214349  
1 1 1 1  17 16 o 91.64813 1.189041  85.87402       2.084376  90.08338       2.629266  78.75365       3.419620  6.272606       2.378082  
1 1 1 1  17 17 o 9.768259 2.547936  0.7777452      0.6618841 0.9384325      0.8973709 0.5860276      0.9801943 0.7612457      5.095873  
1 1 1 1  17 18 o 17.66965 1.711516  3.103399       0.5978235 2.662764       0.7788945 3.735127       0.9326196 -2.979425      3.423032  
1 1 1 1  17 19 o 33.84348 1.165647  11.59025       0.7733091 11.68460       1.001520  11.45094       1.216932  0.4097481      2.331294  
1 1 1 1  17 20 o 21.37592 1.418057  4.587914       0.6009681 5.456306       0.9194338 3.940178       0.7940747 3.479158       2.836115  
1 1 1 1  17 21 o 6.605520 2.194747  -0.9247686     0.7419749 -1.091756      1.089933  -0.7805462     1.012917  -0.7720232E-01 4.389493  
1 1 1 1  17 22 o 29.97258 2.173699  0.000000       0.000000  ?              ?         9.451737       1.303028  ?              ?         
1 1 1 1  17 23 o 23.42181 1.734724  6.012912       0.7948787 7.282927       1.118075  4.715013       1.130281  5.502167       3.469449  
1 1 1 1  18 0  o 74.87710 1.159771  56.14408       1.734653  55.86617       2.428126  56.43375       2.479005  0.000000       0.000000  
1 1 1 1  18 1  o 348.2267 2.965038  1213.020       20.64365  1232.353       29.64597  1194.822       28.76311  5.381073       5.930076  
1 1 1 1  18 2  o 337.3350 2.873433  1138.707       19.38529  1145.180       27.57487  1132.382       27.25777  1.894073       5.746865  
1 1 1 1  18 3  o 213.3840 1.996126  453.0439       8.372672  442.6419       10.82226  468.5522       13.21424  -6.054855      3.992252  
1 1 1 1  18 4  o 219.8601 2.048773  484.2379       8.931175  478.7789       13.50959  488.4760       11.90350  -2.218491      4.097545  
1 1 1 1  18 5  o 415.2008 3.816741  1726.914       31.36206  1725.597       41.45446  1728.677       47.95829  -0.2586670     7.633482  
1 1 1 1  18 6  o 152.0169 1.656256  231.0885       4.746686  231.5267       8.228088  230.8699       5.811154  0.1925049      3.312511  
1 1 1 1  18 7  o 175.8654 1.986563  310.2294       6.873645  305.8708       10.69307  313.2986       8.973155  -2.140076      3.973125  
1 1 1 1  18 8  o 132.9591 1.487347  176.2782       3.704754  178.6676       6.520442  175.1392       4.502029  1.295441       2.974694  
1 1 1 1  18 9  o 245.9270 2.290826  605.5020       11.13743  602.4069       14.66046  609.7261       17.12705  -1.409027      4.581653  
1 1 1 1  18 10 o 203.5314 1.767133  414.8895       7.193313  415.8508       10.19137  413.9351       10.15450  0.4694824      3.534267  
1 1 1 1  18 11 o 157.3228 1.455993  247.7831       4.440019  247.5391       5.623423  248.1869       7.235121  -0.1496582     2.911986  
1 1 1 1  18 12 o 49.40965 0.9832163 24.42604       0.9715171 24.05051       1.363219  24.81362       1.384904  -0.7716637     1.966433  
1 1 1 1  18 13 o 19.81671 2.089276  4.010035       0.7915807 3.034669       1.090467  5.096511       1.150904  -5.449251      4.178552  
1 1 1 1  18 14 o 43.65251 1.187714  19.06653       1.024216  18.95457       1.345241  19.22093       1.579784  -0.2933655     2.375428  
1 1 1 1  18 15 o 99.35040 1.113141  98.89116       2.191236  99.25031       3.336771  98.61885       2.905542  0.2860489      2.226282  
1 1 1 1  18 16 o 54.95664 0.8994151 30.26240       0.9874777 30.02465       1.362291  30.52564       1.433433  -0.4491158     1.798830  
1 1 1 1  18 17 o 17.69806 1.867749  3.188320       0.6579284 3.007811       0.9610369 3.347548       0.9026114 -0.9750633     3.735498  
1 1 1 1  18 18 o 32.48445 1.193801  10.65977       0.7725692 10.44677       1.137618  10.84208       1.052496  -0.6302223     2.387603  
1 1 1 1  18 19 o 27.89377 1.401703  7.891971       0.7687564 7.967214       1.204702  7.840283       0.9984772 0.1456451      2.803406  
1 1 1 1  18 20 o 26.86781 1.493005  7.419139       0.7718922 7.524038       0.9724075 7.240441       1.269173  0.6849270      2.986011  
1 1 1 1  18 21 o 8.562267 2.481587  0.4080452      0.6855072 0.6580434      0.9488791 0.1351241      0.9914274 1.052241       4.963174  
1 1 1 1  18 22 o 15.36807 2.763250  3.171216       0.9128516 1.511417       1.658314  3.892823       1.093425  -6.986702      5.526500  
1 1 1 1  18 23 o 10.30656 2.813159  1.131818       0.8092347 0.8588223      1.044729  1.541291       1.279492  -1.851700      5.626318  
1 1 1 1  19 0  o 273.3875 4.063126  748.7449       20.91496  748.2733       25.60498  749.6904       36.25558  0.000000       0.000000  
1 1 1 1  19 1  o 290.2461 3.206956  841.3887       18.18309  834.6016       23.28934  851.9854       29.10009  -2.930939      6.413911  
1 1 1 1  19 2  o 146.9774 1.696452  216.3365       4.893843  217.3921       6.346535  214.7881       7.686162  0.8941956      3.392904  
1 1 1 1  19 3  o 161.8277 1.543846  262.5067       4.962949  266.9728       6.674179  256.9827       7.422676  3.091354       3.087692  
1 1 1 1  19 4  o 80.58755 1.011821  64.77346       1.628432  61.57096       2.231271  68.42329       2.382014  -4.250801      2.023643  
1 1 1 1  19 5  o 145.8158 1.601373  213.3653       4.423573  210.6360       7.564775  214.7835       5.453076  -1.439941      3.202745  
1 1 1 1  19 6  o 131.2253 1.292398  171.9561       3.351553  170.3058       4.402467  174.2309       5.168866  -1.488022      2.584796  
1 1 1 1  19 7  o 212.4474 2.250264  453.3665       9.064968  447.4505       15.46953  456.4604       11.18691  -2.209564      4.500527  
1 1 1 1  19 8  o 119.2915 1.287459  142.2774       3.069702  145.2970       4.437257  139.5058       4.251149  2.424385       2.574918  
1 1 1 1  19 9  o 85.59087 0.9055673 73.28400       1.550154  73.55767       2.191052  73.00972       2.193447  0.3201370      1.811135  
1 1 1 1  19 10 o 43.59819 0.9593254 18.77263       0.8250331 20.44987       1.298541  17.63724       1.068390  3.221397       1.918651  
1 1 1 1  19 11 o 32.65991 1.099045  10.68064       0.7137544 10.63136       1.067024  10.72054       0.9602072 -0.1394844     2.198091  
1 1 1 1  19 12 o 44.11620 1.085405  19.50402       0.9522365 19.70857       1.283813  19.25386       1.419757  0.5194817      2.170810  
1 1 1 1  19 13 f 56.02130 1.075797  30.79226       1.160140  33.68234       1.960457  29.23475       1.439188  3.950485       2.151594  
1 1 1 1  19 14 o 43.89996 1.250852  19.38846       1.062647  19.61208       1.346926  19.01983       1.729379  0.6983414      2.501705  
1 1 1 1  19 15 o 79.57883 1.029660  63.68238       1.630459  61.15676       2.402397  65.83910       2.220021  -2.956619      2.059320  
1 1 1 1  19 16 o 42.60297 1.099593  18.06990       0.9219817 17.43469       1.192240  19.01489       1.454190  -1.824043      2.199185  
1 1 1 1  19 17 o 53.81258 0.8820290 29.04998       0.9489518 30.07239       1.361133  28.08304       1.323691  1.842644       1.764058  
1 1 1 1  19 18 o 45.20656 0.9509042 20.55067       0.8594725 21.15629       1.216109  19.94632       1.214847  1.338017       1.901808  
1 1 1 1  19 19 o 54.88058 0.9491273 30.29814       1.032617  30.03466       1.369769  30.64500       1.571639  -0.5011864     1.898255  
1 1 1 1  19 20 o 31.39079 1.173583  9.972134       0.7351608 9.550860       1.000003  10.46758       1.084475  -1.421423      2.347166  
1 1 1 1  19 21 o 25.02738 1.526194  6.484437       0.7596424 6.075061       1.011408  7.014238       1.150593  -1.736217      3.052388  
1 1 1 1  19 22 o 15.74058 2.813868  3.372251       0.9136283 1.982595       1.722861  3.915936       1.077631  -6.209178      5.627736  
1 1 1 1  19 23 o 9.612865 2.713239  0.9183893      0.8258273 0.2440888      1.194921  1.534960       1.142626  -2.630271      5.426478  
1 1 1 1  20 0  o 27.16031 1.740633  7.673190       0.9112032 8.279147       1.208572  6.875035       1.387059  0.000000       0.000000  
1 1 1 1  20 1  o 145.7900 1.408621  213.2782       4.091970  202.6445       5.955745  222.7861       5.631682  -6.909622      2.817241  
1 1 1 1  20 2  o 230.0769 2.141716  530.2170       9.770374  525.2414       14.78532  534.0739       13.01765  -1.935684      4.283433  
1 1 1 1  20 3  o 84.58189 0.8954327 71.31696       1.511609  68.11073       2.058328  75.07056       2.227110  -4.113564      1.790865  
1 1 1 1  20 4  o 241.7121 2.402973  584.7348       11.61639  583.0076       16.37542  586.4844       16.48119  -0.7178802     4.805946  
1 1 1 1  20 5  o 103.0814 1.295804  105.6526       2.597022  103.6318       3.290730  108.9895       4.228676  -2.590187      2.591608  
1 1 1 1  20 6  o 187.5104 1.768389  352.2185       6.575062  349.1837       9.949827  354.5711       8.760408  -1.454834      3.536777  
1 1 1 1  20 7  o 249.9055 2.321679  626.5765       11.51521  634.0892       15.41336  617.0865       17.32340  3.449799       4.643358  
1 1 1 1  20 8  o 200.2787 2.015140  401.7518       8.071573  402.2292       11.46006  401.2818       11.37033  0.2340240      4.030280  
1 1 1 1  20 9  o 185.6357 1.624280  345.0367       6.030486  345.0009       8.524538  345.0724       8.532255  -0.1904297E-01 3.248560  
1 1 1 1  20 10 o 160.0999 1.422007  256.5238       4.551755  260.9735       6.540124  252.3437       6.338899  2.688904       2.844014  
1 1 1 1  20 11 o 154.2689 1.498259  237.2725       4.543640  232.5927       5.878012  244.2200       7.161889  -3.720139      2.996519  
1 1 1 1  20 12 o 72.55910 0.9989356 52.37508       1.438117  50.31894       1.901426  55.12349       2.198337  -3.301689      1.997871  
1 1 1 1  20 13 f 40.60210 1.222669  16.63614       0.9815337 17.48656       1.313853  15.56207       1.476544  2.377064       2.445338  
1 1 1 1  20 14 o 47.13678 1.124359  22.28870       1.049526  22.11376       1.597194  22.42164       1.392316  -0.3406677     2.248719  
1 1 1 1  20 15 o 45.90224 1.060772  21.10359       0.9729875 20.47308       1.342194  21.80190       1.412522  -1.440540      2.121544  
1 1 1 1  20 16 o 39.14476 1.074845  15.39292       0.8401529 16.46315       1.192211  14.33712       1.184141  2.714573       2.149690  
1 1 1 1  20 17 o 32.16353 1.248299  10.37162       0.8006971 11.46340       1.180742  9.442095       1.089471  3.121407       2.496598  
1 1 1 1  20 18 o 44.47152 1.047003  19.94270       0.9190007 20.09467       1.208557  19.73435       1.415064  0.4532471      2.094007  
1 1 1 1  20 19 o 25.13575 1.789887  6.307853       0.8178979 6.074496       0.9646848 6.904451       1.542468  -1.360533      3.579774  
1 1 1 1  20 20 o 20.71749 1.957813  4.562410       0.7692873 4.159853       1.276518  4.791991       0.9640079 -1.758144      3.915626  
1 1 1 1  20 21 o 22.47873 1.964203  5.576518       0.8349725 6.011167       1.055095  4.848167       1.365817  2.985102       3.928406  
1 1 1 1  20 22 o 19.04787 2.758375  4.601104       0.9363864 3.893195       1.725211  4.896746       1.114900  -4.288458      5.516750  
1 1 1 1  20 23 o 12.53278 2.731392  2.088202       0.7616159 2.412395       1.071731  1.757445       1.082525  2.017666       5.462784  
1 1 1 1  21 0  o 309.0478 3.739625  955.3232       23.07137  928.5947       31.70155  985.4210       33.64040  0.000000       0.000000  
1 1 1 1  21 1  o 278.3397 2.386450  775.1520       13.28291  767.1147       18.59280  783.5305       18.98303  -2.944611      4.772900  
1 1 1 1  21 2  o 191.6997 1.930475  367.6528       7.401127  365.4989       10.40983  369.8545       10.52467  -1.134995      3.860950  
1 1 1 1  21 3  o 284.4055 3.152294  807.6945       17.49884  821.1229       28.09672  799.1851       22.36630  3.757935       6.304588  
1 1 1 1  21 4  o 304.3785 2.816661  925.3505       16.90926  943.2141       26.30036  912.7634       22.07689  4.918671       5.633322  
1 1 1 1  21 5  o 37.65960 1.016967  13.99348       0.7575933 12.97231       0.9875619 15.45387       1.180998  -3.293060      2.033935  
1 1 1 1  21 6  o 118.9361 1.205891  141.8270       2.852345  144.6633       3.856992  138.4036       4.237445  2.636154       2.411782  
1 1 1 1  21 7  o 12.06884 2.367216  1.449062       0.6505529 0.5122678      0.9317211 2.340234       0.9087505 -5.867224      4.734432  
1 1 1 1  21 8  o 111.0054 1.225361  123.3029       2.720299  123.0107       3.863674  123.5902       3.830705  -0.2616119     2.450721  
1 1 1 1  21 9  o 102.6265 1.005469  105.3342       2.063264  107.4194       2.957550  103.3573       2.879795  1.977615       2.010937  
1 1 1 1  21 10 o 70.61035 0.8552603 49.78743       1.206578  52.14795       1.754778  47.67059       1.661738  3.168465       1.710521  
1 1 1 1  21 11 o 159.5002 1.543450  254.3729       4.855465  257.7484       7.541606  251.9832       6.345571  1.758484       3.086900  
1 1 1 1  21 12 o 155.9745 1.997416  243.7312       6.230919  243.7312       6.230919  ?              ?         ?              ?         
1 1 1 1  21 13 o 88.90133 1.114301  79.38856       1.957520  80.78235       2.588845  77.52779       2.991258  1.848511       2.228602  
1 1 1 1  21 14 o 11.26450 2.903915  1.043870       0.8500004 1.183919       1.242228  0.9205675      1.165593  0.8505449      5.807830  
1 1 1 1  21 15 o 67.43493 1.047003  45.81657       1.397451  47.13261       1.863032  44.12354       2.113091  2.257217       2.094006  
1 1 1 1  21 16 o 13.25704 2.287682  1.679205       0.7131844 3.252987       1.035012  0.2564381      0.9841022 9.284659       4.575364  
1 1 1 1  21 17 o 55.69140 0.9338352 31.15799       1.039966  31.77343       1.486547  30.56806       1.455415  1.076393       1.867670  
1 1 1 1  21 18 o 45.20918 1.095013  20.63804       0.9717044 20.43485       1.524010  20.77723       1.261348  -0.4476471     2.190027  
1 1 1 1  21 19 o 34.09780 1.205421  11.78106       0.8217736 11.39164       1.147384  12.19121       1.177529  -1.160187      2.410842  
1 1 1 1  21 20 o 10.90667 2.600689  1.237399       0.6848167 1.513720       0.9090409 0.8747982      1.041338  1.733228       5.201379  
1 1 1 1  21 21 o 19.62163 3.612628  4.033810       1.148487  3.460386       1.256825  6.936363       2.827656  -4.840828      7.225256  
1 1 1 1  21 22 o 12.35382 3.204179  1.702294       1.014117  2.931131       1.717767  1.044861       1.256444  4.274561       6.408357  
1 1 1 1  22 0  o 78.09390 1.777805  61.18177       2.769786  60.77360       3.871388  61.60978       3.964404  0.000000       0.000000  
1 1 1 1  22 1  o 48.20122 1.344678  0.000000       0.000000  ?              ?         23.23697       1.296302  ?              ?         
1 1 1 1  22 2  o 48.75336 1.023067  23.73526       0.9965760 25.23921       1.439626  22.35141       1.380947  2.961262       2.046134  
1 1 1 1  22 3  o 93.23419 1.033986  86.76610       1.905294  85.79864       2.502452  88.10040       2.938834  -1.231049      2.067971  
1 1 1 1  22 4  o 125.3073 1.252545  156.7752       3.100664  155.1743       4.068563  158.9932       4.788997  -1.516228      2.505090  
1 1 1 1  22 5  o 118.4577 1.118566  140.1041       2.646928  145.7565       3.859757  135.0857       3.636824  4.501625       2.237131  
1 1 1 1  22 6  o 32.92442 1.176447  10.88065       0.7712488 11.29795       1.055024  10.40169       1.130282  1.362133       2.352893  
1 1 1 1  22 7  o 96.14766 0.9784614 92.40044       1.880608  94.99120       2.712196  90.00141       2.609914  2.593437       1.956923  
1 1 1 1  22 8  o 79.72741 0.8761171 63.52428       1.396200  61.74910       1.934615  65.45390       2.017012  -2.322189      1.752234  
1 1 1 1  22 9  o 190.8751 1.672843  364.9464       6.386070  365.7955       9.040981  364.1009       9.021584  0.4431915      3.345686  
1 1 1 1  22 10 o 56.55181 0.9448325 32.09230       1.039497  32.40001       1.327771  31.60506       1.670784  0.7109261      1.889665  
1 1 1 1  22 11 o 28.58953 1.213035  8.188179       0.6925033 8.094441       1.004924  8.272944       0.9556296 -0.3139153     2.426070  
1 1 1 1  22 12 o 85.69743 1.053342  73.51983       1.805362  73.83589       2.553208  73.20380       2.553127  0.3687897      2.106685  
1 1 1 1  22 13 f 67.33229 1.050011  45.33844       1.398824  45.86123       2.146596  44.95259       1.844144  0.6592026      2.100021  
1 1 1 1  22 14 o 90.43585 1.019250  81.90811       1.841692  80.85276       2.541292  83.07547       2.672770  -1.219193      2.038500  
1 1 1 1  22 15 o 55.07220 0.9719638 30.41065       1.070419  31.12459       1.522692  29.71315       1.505065  1.279636       1.943928  
1 1 1 1  22 16 o 51.17275 1.031052  26.23597       1.053716  27.47131       1.541651  25.15285       1.443543  2.250839       2.062104  
1 1 1 1  22 17 o 13.89192 2.553082  2.042506       0.7209736 1.605980       0.9727631 2.574571       1.073952  -3.139091      5.106165  
1 1 1 1  22 18 o 17.01110 2.301923  3.179843       0.7511646 3.928102       1.018613  2.287847       1.112154  5.103345       4.603846  
1 1 1 1  22 19 o 13.56260 2.623010  2.045864       0.7328348 1.889355       1.077727  2.180467       0.9994625 -0.9549284     5.246019  
1 1 1 1  22 20 o 16.20155 2.369324  2.948272       0.7550849 3.634637       1.057656  2.234789       1.078348  4.544881       4.738647  
1 1 1 1  22 21 o 19.25410 2.846208  4.393572       1.036268  4.314883       1.286699  4.538827       1.748169  0.7878551      5.692416  
1 1 1 1  22 22 o 7.639390 2.505066  -0.5122399     0.8584810 -0.2851355     1.491579  -0.6247359     1.049789  1.735028       5.010132  
1 1 1 1  23 0  o 180.8020 2.248589  327.1979       8.121941  321.6979       11.29022  333.0968       11.69267  0.000000       0.000000  
1 1 1 1  23 1  o 124.7352 1.156759  155.5966       2.885238  157.4809       4.128488  153.7978       4.033844  1.475533       2.313518  
1 1 1 1  23 2  o 93.39146 0.9536141 87.21365       1.780739  88.25829       2.552676  86.22337       2.485363  1.088936       1.907228  
1 1 1 1  23 3  o 89.93437 0.9330066 80.88966       1.678058  80.14832       2.355341  81.65384       2.391333  -0.8367157     1.866013  
1 1 1 1  23 4  o 185.6615 1.630119  344.8746       6.051921  340.9111       8.462325  349.0239       8.658463  -2.181702      3.260238  
1 1 1 1  23 5  o 158.2159 1.411794  250.4653       4.467048  252.0823       6.362813  248.8939       6.272868  1.006149       2.823589  
1 1 1 1  23 6  o 169.8290 1.505919  288.6098       5.114112  291.9893       7.314182  285.3773       7.153390  1.943359       3.011838  
1 1 1 1  23 7  o 210.4404 1.833793  442.9989       7.711267  455.0834       11.19308  432.0816       10.63878  5.449310       3.667586  
1 1 1 1  23 8  o 84.46025 0.9155751 71.36704       1.546581  71.78040       2.190344  70.95605       2.184062  0.4879074      1.831150  
1 1 1 1  23 9  f 13.28086 2.578000  1.567539       0.7122225 0.8969412      0.8797981 2.842608       1.213162  -6.423296      5.156001  
1 1 1 1  23 10 o 100.0648 1.001094  100.1969       2.003308  99.74017       2.811846  100.6678       2.854853  -0.4623795     2.002188  
1 1 1 1  23 11 o 50.75358 1.104682  25.65504       1.110303  24.88794       1.461107  26.70336       1.708070  -1.779774      2.209364  
1 1 1 1  23 12 o 76.65057 0.9439318 58.71923       1.435616  59.50179       2.177894  58.11792       1.909094  0.8933563      1.887864  
1 1 1 1  23 13 o 27.77011 1.447999  7.575471       0.7805449 7.100676       0.9782596 8.407322       1.294863  -2.324369      2.895998  
1 1 1 1  23 14 o 105.6650 1.197781  111.7846       2.495311  110.4457       3.256324  113.6892       3.883834  -1.466911      2.395562  
1 1 1 1  23 15 o 41.75895 1.089901  17.49508       0.9098620 17.25842       1.264830  17.74890       1.309828  -0.5818596     2.179803  
1 1 1 1  23 16 f 9.999858 2.641218  0.8084551      0.7097334 0.7770871      0.9990275 0.8404188      1.008469  -0.1955585     5.282436  
1 1 1 1  23 17 o 38.66654 1.260246  15.18734       0.9509867 14.64592       1.505838  15.54654       1.226528  -1.238579      2.520493  
1 1 1 1  23 18 o 10.96438 2.759964  1.002477       0.8974273 1.937894       1.069200  -1.227636      1.650897  4.753291       5.519928  
1 1 1 1  23 19 o 10.85797 2.789930  1.108702       0.8142499 0.3146769      1.358345  1.554045       1.017281  -2.293295      5.579859  
1 1 1 1  23 20 o 13.59461 2.834344  2.173529       0.8191072 2.232440       1.081059  2.094122       1.255115  0.5092850      5.668689  
1 1 1 1  23 21 o 13.28707 3.088533  2.158974       0.9094533 2.151116       1.086621  2.177352       1.661795  0.1243200      6.177067  
1 1 1 1  23 22 o 18.09108 2.493423  3.846732       0.8591422 4.578680       1.348880  3.347107       1.114435  2.773752       4.986845  
1 1 1 1  24 0  o 152.6983 1.941806  233.4029       5.924243  229.4353       8.258736  237.6086       8.502887  0.000000       0.000000  
1 1 1 1  24 1  o 154.8052 1.386189  239.6446       4.290248  244.0365       6.168483  235.5293       5.970990  2.745255       2.772379  
1 1 1 1  24 2  o 153.3924 1.377247  235.3767       4.224745  233.1048       5.923022  237.7297       6.027737  -1.506180      2.754493  
1 1 1 1  24 3  o 136.0586 1.245606  185.1542       3.388728  183.0508       4.732109  187.3682       4.855024  -1.584991      2.491212  
1 1 1 1  24 4  o 164.4616 1.465658  270.4570       4.818102  264.7602       6.677579  276.6436       6.958766  -3.607971      2.931316  
1 1 1 1  24 5  o 156.5047 1.511596  245.3409       4.690742  246.6136       6.246498  243.6951       7.103191  0.9499817      3.023192  
1 1 1 1  24 6  o 166.2469 1.481276  276.6332       4.925080  275.7155       6.942954  277.5629       6.987490  -0.5546112     2.962552  
1 1 1 1  24 7  o 198.1353 1.733747  393.1589       6.870053  390.8769       9.663490  395.4909       9.768810  -1.161057      3.467493  
1 1 1 1  24 8  o 108.1657 1.153511  117.2252       2.467027  117.9617       3.258198  116.2356       3.776763  0.8112717      2.307021  
1 1 1 1  24 9  o 124.4958 1.267013  155.3916       3.123080  153.5632       4.751594  156.7823       4.143911  -1.312088      2.534025  
1 1 1 1  24 10 o 115.3931 1.268166  133.1667       2.923967  136.8570       4.248313  129.8452       4.030507  3.030388       2.536333  
1 1 1 1  24 11 o 54.99924 1.012060  30.25525       1.112563  29.64945       1.541123  30.91461       1.607798  -1.147884      2.024121  
1 1 1 1  24 12 o 30.10202 1.211996  8.967772       0.7242231 9.980058       1.110256  8.218033       0.9554919 2.918621       2.423992  
1 1 1 1  24 13 o 15.54200 2.272237  2.493485       0.6639535 2.399117       0.8349711 2.655770       1.094962  -0.7067099     4.544474  
1 1 1 1  24 14 o 26.83685 1.483930  7.244858       0.7962465 7.164874       1.110351  7.329533       1.142461  -0.3020191     2.967860  
1 1 1 1  24 15 o 83.88441 1.055354  70.67188       1.763936  70.39444       2.606988  70.90613       2.395565  -0.3335648     2.110709  
1 1 1 1  24 16 o 17.40479 2.247641  3.157414       0.7477096 2.878504       0.9833978 3.539593       1.151148  -1.792622      4.495282  
1 1 1 1  24 17 o 42.01192 1.069010  17.79723       0.8961415 19.29484       1.272927  16.32565       1.261817  3.531048       2.138020  
1 1 1 1  24 18 o 28.77221 1.590025  8.371169       0.9032465 7.994515       1.175606  8.913907       1.411189  -1.490816      3.180049  
1 1 1 1  24 19 o 31.75223 1.413870  10.31782       0.8897581 10.23072       1.348076  10.38505       1.184374  -0.3344765     2.827740  
1 1 1 1  24 20 o 19.71573 2.097111  4.285953       0.7959314 4.974323       1.120550  3.584989       1.130754  3.798491       4.194222  
1 1 1 1  24 21 o 7.654787 2.507926  -0.5625790     0.9043258 -0.5747297E-01 1.084456  -1.715659      1.638515  0.2386751      5.015853  
1 1 1 1  24 22 o 13.99402 2.806065  2.689362       0.8438977 3.100058       1.107408  2.120539       1.303274  3.298899       5.612131  
1 1 1 1  25 0  o 208.4281 2.574176  435.2092       10.72257  431.9269       15.05820  438.5853       15.27208  0.000000       0.000000  
1 1 1 1  25 1  o 80.24522 0.9873681 64.77561       1.574114  60.49129       2.315692  68.45579       2.146221  -4.964394      1.974736  
1 1 1 1  25 2  o 196.9693 1.723129  388.2729       6.787201  384.3428       9.506797  392.3585       9.693016  -2.031082      3.446257  
1 1 1 1  25 3  o 57.06101 0.8757336 32.44568       0.9974771 30.48524       1.361049  34.72040       1.466092  -3.709930      1.751467  
1 1 1 1  25 4  o 203.1886 1.776122  413.2865       7.216700  408.9839       10.10216  417.7707       10.31302  -2.157028      3.552243  
1 1 1 1  25 5  o 270.8751 2.521695  734.6447       13.49424  728.9739       17.71836  742.4767       20.82279  -2.375580      5.043389  
1 1 1 1  25 6  o 131.3010 1.220870  172.5060       3.205825  170.6749       4.502961  174.3881       4.565120  -1.412689      2.441740  
1 1 1 1  25 7  o 82.82985 1.005964  68.18793       1.637009  66.29247       2.111331  71.04491       2.592097  -2.858925      2.011928  
1 1 1 1  25 8  o 206.1521 2.204594  430.3166       8.680552  413.1980       14.47756  439.9251       10.84649  -6.681778      4.409188  
1 1 1 1  25 9  o 94.21645 1.132550  88.83627       2.133155  89.36278       3.066660  88.34271       2.969174  0.5384369      2.265100  
1 1 1 1  25 10 o 128.8305 1.386221  166.1293       3.569584  162.7404       4.945293  169.8155       5.157713  -2.736557      2.772441  
1 1 1 1  25 11 o 119.4216 1.140489  142.7971       2.723913  141.8519       3.835978  143.7583       3.868619  -0.7968369     2.280978  
1 1 1 1  25 12 f 65.42545 0.8666273 42.84393       1.133832  42.14985       1.587553  43.56657       1.619897  -1.081146      1.733255  
1 1 1 1  25 13 o 9.694643 2.309761  0.7599629      0.5671631 1.421818       0.8377707 0.1999696      0.7706110 4.054935       4.619522  
1 1 1 1  25 14 o 34.45689 1.218705  11.90349       0.8390767 11.30475       1.159207  12.56244       1.216104  -1.817722      2.437410  
1 1 1 1  25 15 f 54.77452 1.010466  30.10233       1.106563  30.96132       1.590531  29.29652       1.540500  1.512646       2.020932  
1 1 1 1  25 16 o 18.38705 2.384489  3.415451       0.8452775 4.539825       1.346712  2.684551       1.085795  5.186236       4.768979  
1 1 1 1  25 17 o 15.44224 3.043242  2.424148       0.8922418 2.163647       1.042540  3.137309       1.724971  -2.665657      6.086483  
1 1 1 1  25 18 o 14.69316 3.017006  2.254602       0.9106562 3.142711       1.546735  1.783419       1.126621  3.801998       6.034013  
1 1 1 1  25 19 o 22.31625 1.754087  5.196779       0.7759901 5.581705       1.058326  4.749223       1.141184  1.924547       3.508174  
1 1 1 1  25 20 o 30.37990 1.456291  9.648602       0.8623863 12.45335       1.249442  7.096689       1.191796  8.761171       2.912582  
1 1 1 1  25 21 o 28.66212 2.019459  8.827125       1.133659  7.815531       1.437130  10.49355       1.844533  -3.902805      4.038919  
1 1 1 1  25 22 o 8.577921 2.596625  0.1170604E-01  0.8428615 -1.029378      1.099087  1.498111       1.313282  -4.499562      5.193249  
1 1 1 1  26 0  o 13.37917 3.614427  2.427783       0.9538174 1.749707       1.321977  3.164058       1.377541  0.000000       0.000000  
1 1 1 1  26 1  o 135.1711 1.242809  182.8103       3.359750  182.0031       4.730609  183.6318       4.772475  -0.6017914     2.485619  
1 1 1 1  26 2  o 141.9022 1.295108  201.4577       3.675060  199.5244       5.145764  203.4705       5.250455  -1.388580      2.590216  
1 1 1 1  26 3  f 103.7113 1.033660  107.5824       2.143686  108.8921       3.065845  106.3296       2.998535  1.234390       2.067320  
1 1 1 1  26 4  o 68.31720 0.8873913 46.69085       1.212021  46.78549       1.691799  46.59107       1.737216  0.1429138      1.774783  
1 1 1 1  26 5  o 73.86797 0.8958781 54.55828       1.323190  53.08071       1.847908  56.11301       1.895549  -2.051773      1.791756  
1 1 1 1  26 6  o 80.79805 1.004008  65.44321       1.590140  65.94955       2.058233  64.69352       2.504462  0.7860794      2.008015  
1 1 1 1  26 7  o 182.6324 1.748674  334.1180       6.314747  335.2395       9.695189  333.2916       8.322056  0.4736328      3.497349  
1 1 1 1  26 8  o 89.09887 1.026660  79.55139       1.814981  80.30667       2.425296  78.59002       2.736292  0.9714050      2.053319  
1 1 1 1  26 9  o 208.2130 2.105905  435.0511       8.768663  431.0607       12.29591  439.1805       12.50835  -1.936859      4.211810  
1 1 1 1  26 10 o 64.25587 0.9714431 41.39141       1.245738  40.12999       1.805237  42.53819       1.721242  -1.876663      1.942886  
1 1 1 1  26 11 o 98.01301 1.083914  96.42909       2.112391  93.91959       3.139420  98.50518       2.855472  -2.352112      2.167829  
1 1 1 1  26 12 o 80.53310 0.9828206 65.08437       1.572048  65.97634       2.110984  63.97379       2.355480  1.258934       1.965641  
1 1 1 1  26 13 o 46.72615 0.8669813 21.86844       0.8100307 21.26589       1.133413  22.49753       1.158099  -1.315907      1.733963  
1 1 1 1  26 14 o 17.01329 2.032656  2.767745       0.6501111 2.316480       0.7903353 3.711996       1.143245  -4.231757      4.065313  
1 1 1 1  26 15 o 22.32213 1.867860  5.081676       0.8080307 6.844220       1.186857  3.558897       1.103181  7.331295       3.735720  
1 1 1 1  26 16 o 23.75204 1.477374  5.481803       0.6857188 6.885489       1.125993  4.654339       0.8645208 4.615128       2.954748  
1 1 1 1  26 17 o 18.21055 2.238908  3.510402       0.7879874 2.798244       1.092198  4.283510       1.137976  -4.330790      4.477816  
1 1 1 1  26 18 o 36.60379 1.236164  13.58629       0.9041733 12.86519       1.252525  14.37098       1.306576  -2.032726      2.472328  
1 1 1 1  26 19 o 11.99475 2.724445  1.598566       0.7430207 1.911366       1.100772  1.336762       1.007051  1.778245       5.448890  
1 1 1 1  26 20 o 10.55241 2.803438  1.165185       0.8027646 1.284072       1.056787  1.002993       1.234342  0.4656248      5.606877  
1 1 1 1  26 21 o 7.795812 2.559669  -0.7895103     0.8975790 -1.381164      1.103141  0.3694924      1.543972  -3.375406      5.119338  
1 1 1 1  27 0  o 134.7173 1.756618  181.7641       4.728916  180.0775       6.633486  183.5070       6.743260  0.000000       0.000000  
1 1 1 1  27 1  o 67.04863 0.8804036 44.96824       1.180224  44.91214       1.648013  45.02729       1.690995  -0.8531189E-01 1.760807  
1 1 1 1  27 2  o 206.4758 1.804997  426.8955       7.453505  429.2754       10.59470  424.5633       10.48780  1.138153       3.609995  
1 1 1 1  27 3  o 213.7003 1.864077  457.3917       7.966963  455.6541       11.23027  459.1521       11.30406  -0.8162231     3.728155  
1 1 1 1  27 4  o 191.7029 1.686420  367.9187       6.464293  363.1502       9.023841  372.9452       9.264701  -2.547409      3.372841  
1 1 1 1  27 5  o 167.4618 1.734581  280.7504       5.807304  275.4702       8.077932  286.3985       8.354590  -3.253418      3.469162  
1 1 1 1  27 6  o 65.85869 1.136731  43.66527       1.480244  41.58664       2.239849  45.27703       1.972336  -2.809128      2.273463  
1 1 1 1  27 7  o 43.37066 1.077193  18.72548       0.9272079 18.06335       1.227948  19.60374       1.414237  -1.770809      2.154386  
1 1 1 1  27 8  o 149.0279 1.571746  222.4364       4.683282  219.3322       6.527923  225.7287       6.722692  -2.137665      3.143491  
1 1 1 1  27 9  o 70.29346 0.9138469 49.40182       1.284124  47.59770       1.785078  51.33671       1.848640  -2.657684      1.827694  
1 1 1 1  27 10 o 103.3454 1.124546  107.1624       2.310743  104.7822       3.438748  109.1220       3.120196  -2.112656      2.249091  
1 1 1 1  27 11 o 38.10467 1.115340  14.56051       0.8454455 14.67912       1.140765  14.41597       1.259282  0.3524246      2.230680  
1 1 1 1  27 12 f 87.99454 0.9577794 77.57448       1.685553  77.46411       2.375396  77.68640       2.392155  -0.1251450     1.915559  
1 1 1 1  27 13 o 79.31098 0.9046448 63.03915       1.434464  62.53103       1.998958  63.57861       2.059680  -0.6547089     1.809290  
1 1 1 1  27 14 o 22.63158 1.907736  5.203067       0.8543234 4.272996       1.189238  6.194903       1.228090  -4.236532      3.815473  
1 1 1 1  27 15 o 40.55243 1.345602  16.33938       1.059258  17.68666       1.748637  15.55843       1.331318  2.517944       2.691204  
1 1 1 1  27 16 o 21.28771 1.963190  4.686083       0.8268745 4.007929       1.188384  5.322523       1.151254  -3.104002      3.926379  
1 1 1 1  27 17 o 14.03338 3.082643  2.019524       0.9068813 2.561259       1.607207  1.766474       1.098454  2.422085       6.165287  
1 1 1 1  27 18 o 25.46013 1.653374  6.687526       0.8399168 6.601601       1.225621  6.763612       1.153317  -0.3658962     3.306748  
1 1 1 1  27 19 o 29.46321 1.600951  9.086289       0.9427242 8.686191       1.330070  9.490193       1.336379  -1.357948      3.201902  
1 1 1 1  27 20 o 9.812435 2.790503  0.8119428      0.8257680 0.9791797      1.297582  0.6981130      1.070524  1.040864       5.581006  
1 1 1 1  27 21 o 10.79330 2.867892  1.356532       0.8531685 1.619310       1.106571  0.9713646      1.339706  1.339994       5.735784  
1 1 1 1  28 0  o 143.1267 1.849479  205.2169       5.290139  206.3028       7.511454  204.1483       7.451676  0.000000       0.000000  
1 1 1 1  28 1  o 155.2534 1.398003  241.2430       4.340587  239.6083       6.094953  242.9254       6.183028  -1.066177      2.796007  
1 1 1 1  28 2  o 225.3266 1.963124  508.3225       8.841850  519.7256       12.76762  497.8139       12.25656  4.844269       3.926248  
1 1 1 1  28 3  o 104.6538 1.218982  109.6135       2.551366  110.2326       3.603891  108.9914       3.612476  0.5932159      2.437964  
1 1 1 1  28 4  o 106.4445 1.141889  113.0884       2.395639  111.6497       3.122928  115.1457       3.734365  -1.627731      2.283777  
1 1 1 1  28 5  o 204.9866 1.943250  420.7739       7.872775  417.9064       10.35157  424.7082       12.12516  -1.574432      3.886499  
1 1 1 1  28 6  o 93.96648 1.518172  87.20305       2.322726  90.58385       5.118965  86.32652       2.606497  2.173721       3.036343  
1 1 1 1  28 7  o 87.50858 1.113777  76.54554       1.947855  73.95432       2.692224  79.39199       2.821702  -3.103088      2.227554  
1 1 1 1  28 8  o 64.22254 0.9138758 41.27755       1.173653  42.18464       1.662522  40.37640       1.657083  1.407642       1.827752  
1 1 1 1  28 9  o 73.82512 0.9986970 54.46408       1.464261  55.30328       2.212987  53.81055       1.952875  1.002075       1.997394  
1 1 1 1  28 10 o 55.29443 0.9906455 30.43319       1.083724  29.45720       1.421399  31.78822       1.674831  -2.096954      1.981291  
1 1 1 1  28 11 f 45.06861 0.9507188 20.34615       0.8569230 20.42022       1.208329  20.27121       1.215447  0.1657639      1.901438  
1 1 1 1  28 12 o 76.27647 0.9102069 58.30779       1.388541  58.24019       1.966069  58.37508       1.961326  -0.8882904E-01 1.820414  
1 1 1 1  28 13 o 24.35990 1.580678  5.967815       0.7301384 5.943289       0.8988801 6.015378       1.251793  -0.8857918E-01 3.161356  
1 1 1 1  28 14 o 28.57169 1.109940  8.228108       0.6320593 7.452480       0.8947734 9.000603       0.8929632 -2.709509      2.219881  
1 1 1 1  28 15 o 19.32673 2.883052  3.880010       0.9822219 3.748129       1.141100  4.257168       1.929717  -0.4496288     5.766104  
1 1 1 1  28 16 o 15.90303 2.701855  2.827424       0.8482868 2.292287       1.316211  3.207628       1.109435  -2.804441      5.403711  
1 1 1 1  28 17 o 30.90025 1.447770  9.725752       0.8932970 9.459715       1.222969  10.03004       1.307931  -0.8805904     2.895540  
1 1 1 1  28 18 o 14.00141 2.751075  2.190564       0.7978081 2.174415       1.139597  2.206087       1.117276  -0.1051350     5.502149  
1 1 1 1  28 19 o 13.69802 3.037127  2.255166       0.9101252 2.295472       1.138426  2.183780       1.515057  0.4420433      6.074254  
1 1 1 1  28 20 o 6.957464 2.278924  -0.6067855     0.7574672 -0.2150144     1.081432  -0.9841010     1.061293  1.095829       4.557848  
1 1 1 1  28 21 o 12.82025 2.781258  2.198918       0.8101118 2.813638       1.141910  1.576033       1.149470  3.619486       5.562515  
1 1 1 1  29 0  o 119.5765 2.291637  143.3012       5.466156  147.9451       7.949372  139.1362       7.528418  0.000000       0.000000  
1 1 1 1  29 1  o 124.7921 1.521899  156.1953       3.718914  157.2414       4.802503  154.6283       5.877540  1.079117       3.043799  
1 1 1 1  29 2  o 145.4824 1.533573  211.9418       4.462134  211.5922       6.297991  212.2941       6.322903  -0.2404175     3.067146  
1 1 1 1  29 3  o 74.64171 0.9734671 55.16220       1.427395  58.77316       2.270785  52.80338       1.835320  3.989227       1.946934  
1 1 1 1  29 4  o 125.5660 1.280156  157.9850       3.186557  156.8400       4.829066  158.8681       4.240941  -0.8265228     2.560313  
1 1 1 1  29 5  o 167.6240 1.932252  283.3830       6.438726  259.9374       9.367822  304.3768       8.864480  -13.27995      3.864504  
1 1 1 1  29 6  o 109.8381 1.170785  120.9219       2.551973  122.0420       3.411931  119.4996       3.844787  1.170677       2.341569  
1 1 1 1  29 7  o 227.2383 2.291074  518.6075       10.41107  514.4460       14.58599  522.9299       14.86493  -1.847519      4.582149  
1 1 1 1  29 8  f 139.4138 1.394227  194.9949       3.858526  197.0398       5.166378  192.4156       5.802390  1.688171       2.788453  
1 1 1 1  29 9  o 75.93723 1.011751  57.42112       1.515736  55.93338       1.975071  59.55280       2.364170  -2.368065      2.023502  
1 1 1 1  29 10 o 78.71898 0.9329833 61.98823       1.467782  60.40387       2.028762  63.72840       2.126179  -2.106384      1.865967  
1 1 1 1  29 11 o 88.75996 1.040871  78.77260       1.825266  80.15075       2.820411  77.77946       2.394258  1.303322       2.081742  
1 1 1 1  29 12 o 16.39971 2.374340  2.714261       0.7283214 2.397082       0.9043029 3.299855       1.228741  -2.584261      4.748681  
1 1 1 1  29 13 o 56.94791 0.8690736 32.43850       0.9885730 30.83275       1.357565  34.25120       1.442394  -2.991932      1.738147  
1 1 1 1  29 14 o 43.99447 0.9239666 19.40883       0.8120506 18.81281       1.116288  20.07877       1.183481  -1.427422      1.847933  
1 1 1 1  29 15 o 38.72647 1.083886  15.23065       0.8146546 15.65794       1.042191  14.55946       1.306193  1.478935       2.167772  
1 1 1 1  29 16 o 43.85000 1.251587  19.64496       1.084567  18.14304       1.626087  20.84853       1.455646  -3.146008      2.503175  
1 1 1 1  29 17 o 47.95211 1.224344  23.55313       1.146917  24.39989       1.487752  22.31277       1.800644  2.313477       2.448687  
1 1 1 1  29 18 o 52.78374 1.264287  28.47396       1.303073  28.96482       2.087218  28.16045       1.668091  0.4692192      2.528573  
1 1 1 1  29 19 o 14.33349 3.137847  2.554960       0.9909765 2.422964       1.382258  2.694552       1.421469  -0.7039471     6.275694  
1 1 1 1  29 20 o 12.25011 2.814970  1.880102       0.7910665 1.762851       1.182760  1.975006       1.064098  -0.6837769     5.629939  
1 1 1 1  30 0  o 40.18259 1.465401  16.31783       1.167514  15.82310       1.702005  16.75751       1.604531  0.000000       0.000000  
1 1 1 1  30 1  o 92.86069 0.9765946 86.28146       1.813649  86.97203       2.581200  85.60808       2.548879  0.7336273      1.953189  
1 1 1 1  30 2  o 206.2378 1.808649  425.9987       7.455778  435.5974       10.77154  417.1701       10.33041  4.447342       3.617298  
1 1 1 1  30 3  o 234.2743 2.355560  550.8994       11.03525  557.1570       15.77411  544.9012       15.44355  2.596130       4.711120  
1 1 1 1  30 4  o 122.6907 1.349232  150.7168       3.310660  151.9729       4.704485  149.4844       4.659796  1.012642       2.698465  
1 1 1 1  30 5  o 104.2033 1.133929  108.4914       2.339766  110.0730       3.581261  107.3135       3.090562  1.309258       2.267858  
1 1 1 1  30 6  o 120.5865 1.335929  145.2936       3.216302  151.1246       4.719928  140.2388       4.394558  4.500702       2.671858  
1 1 1 1  30 7  o 62.69320 1.108626  39.09301       1.339905  38.40688       1.677001  40.30429       2.228178  -1.493099      2.217252  
1 1 1 1  30 8  f 49.46725 0.9666691 24.48267       0.9558004 24.79452       1.379215  24.19451       1.325780  0.6045837      1.933338  
1 1 1 1  30 9  o 54.37679 0.9541983 29.62244       1.037133  30.48706       1.458202  28.73729       1.475403  1.609730       1.908397  
1 1 1 1  30 10 o 49.08516 0.9609362 24.13139       0.9421453 24.07135       1.299144  24.19799       1.368336  -0.1246529     1.921872  
1 1 1 1  30 11 o 43.01929 1.089771  18.36833       0.8931174 17.93512       1.099893  19.20685       1.530222  -1.434200      2.179542  
1 1 1 1  30 12 o 23.79538 1.598784  5.456281       0.7402635 6.827021       1.234421  4.686504       0.9250561 4.444448       3.197568  
1 1 1 1  30 13 f 20.71342 1.613007  4.313620       0.6615068 4.497575       1.018611  4.179453       0.8699121 0.7326183      3.226014  
1 1 1 1  30 14 o 39.37333 0.9506858 15.55456       0.7470117 16.05506       1.099679  15.12572       1.017920  1.163639       1.901372  
1 1 1 1  30 15 o 27.37103 1.526665  7.912035       0.7924359 8.810453       1.012000  6.488060       1.274069  4.333849       3.053329  
1 1 1 1  30 16 o 26.55340 1.676273  7.216826       0.8893793 6.895018       1.261742  7.534616       1.253840  -1.208157      3.352545  
1 1 1 1  30 17 o 10.22572 2.732548  0.7224532      0.8100228 -0.7929235E-02 1.107446  1.562766       1.187867  -3.830698      5.465096  
1 1 1 1  30 18 o 21.54615 2.464392  5.213622       1.006466  6.861973       1.464285  3.737493       1.385681  7.430799       4.928784  
1 1 1 1  30 19 o 8.535890 2.519015  0.1610329      0.7576644 1.036265       1.121372  -0.5741388     1.027739  3.329714       5.038029  
1 1 1 1  30 20 o 9.989319 2.783191  1.004020       0.8186886 0.8664593      1.133390  1.154105       1.183860  -0.7228861     5.566382  
1 1 1 1  31 0  o 69.97204 1.751852  49.21235       2.444138  48.32639       3.477614  50.07716       3.435831  0.000000       0.000000  
1 1 1 1  31 1  f 138.1125 1.795530  191.1728       4.959419  192.5571       7.059759  189.8240       6.968486  0.9853363      3.591060  
1 1 1 1  31 2  o 132.7629 1.428104  176.5083       3.791802  175.5945       5.331225  177.4438       5.394164  -0.6941528     2.856209  
1 1 1 1  31 3  o 41.94577 1.148496  17.64209       0.9603067 15.92457       1.353429  19.38341       1.362777  -4.122704      2.296992  
1 1 1 1  31 4  o 33.10788 1.297739  10.99275       0.8532566 11.12423       1.144643  10.82833       1.280054  0.4517441      2.595477  
1 1 1 1  31 5  o 82.77088 1.034670  68.62974       1.703264  69.11876       2.295307  68.03043       2.540935  0.6651764      2.069341  
1 1 1 1  31 6  o 56.01576 0.9578141 31.38507       1.072661  32.56364       1.537252  30.26670       1.497474  2.049000       1.915628  
1 1 1 1  31 7  o 79.13922 0.9648083 62.67754       1.526888  63.36817       2.180660  62.01328       2.138644  0.8545761      1.929617  
1 1 1 1  31 8  o 97.04973 1.032560  94.31359       2.004167  93.67210       2.832213  94.95698       2.836433  -0.6617813     2.065121  
1 1 1 1  31 9  o 15.06717 2.377355  2.316253       0.7542274 0.9923087      1.037185  3.802045       1.098753  -8.721820      4.754711  
1 1 1 1  31 10 o 74.73130 0.9383277 55.96132       1.402431  56.34573       1.988308  55.58073       1.978403  0.5110626      1.876655  
1 1 1 1  31 11 o 66.92901 1.138560  44.36174       1.402424  46.51012       2.570433  43.45115       1.673443  2.180130       2.277121  
1 1 1 1  31 12 o 47.25176 0.9915594 22.42651       0.9298244 22.24802       1.401904  22.56670       1.242432  -0.3575020     1.983119  
1 1 1 1  31 13 o 33.63895 1.216702  11.39185       0.7957757 11.35664       1.012510  11.44875       1.287042  -0.7610321E-01 2.433404  
1 1 1 1  31 14 o 44.31047 0.9759924 19.76067       0.8612874 19.57786       1.274765  19.91421       1.168278  -0.4014282     1.951985  
1 1 1 1  31 15 o 48.99233 1.026562  23.65196       0.9435275 22.67122       1.139493  25.79086       1.682789  -3.027981      2.053124  
1 1 1 1  31 16 o 33.42417 1.518194  11.41987       1.007048  11.24164       1.339133  11.65187       1.527805  -0.5060997     3.036388  
1 1 1 1  31 17 o 18.26052 2.677717  3.576057       0.9295725 3.012925       1.182574  4.486662       1.503794  -3.622721      5.355434  
1 1 1 1  31 18 o 25.48467 2.385347  7.003339       1.097281  7.646483       2.071918  6.752640       1.293582  0.5405712      4.770694  
1 1 1 1  31 19 o 8.302517 2.580801  0.9447636E-01  0.8246249 0.2863466      1.237859  -0.5860885E-01 1.105692  0.9400826      5.161602  
1 1 1 1  31 20 o 9.380826 2.606023  0.6032874      0.8021463 -0.4944446     1.103337  1.833999       1.168257  -4.768836      5.212045  
1 1 1 1  32 0  o 181.0058 2.277628  328.5160       8.238039  324.7492       11.52225  332.4549       11.78281  0.000000       0.000000  
1 1 1 1  32 1  o 21.03363 1.681787  4.443742       0.7020557 4.349828       1.054414  4.518532       0.9409577 -0.4062271     3.363575  
1 1 1 1  32 2  o 191.1830 1.689955  366.3329       6.461739  367.5775       9.165504  365.1029       9.111294  0.6446228      3.379911  
1 1 1 1  32 3  o 36.33151 1.134736  13.20732       0.8238320 13.05897       1.139036  13.37005       1.192985  -0.4263000     2.269471  
1 1 1 1  32 4  o 73.45543 0.9478716 53.99936       1.392485  54.15730       1.978033  53.84418       1.960625  0.2126083      1.895743  
1 1 1 1  32 5  o 34.09136 1.263096  11.63947       0.8599709 12.48906       1.227452  10.82038       1.205217  2.446419       2.526191  
1 1 1 1  32 6  o 93.13187 1.020130  86.70750       1.898508  84.04649       2.619443  89.65214       2.755513  -3.004562      2.040260  
1 1 1 1  32 7  o 116.0926 1.147936  134.9845       2.665260  135.9606       3.787022  134.0264       3.751718  0.8312912      2.295872  
1 1 1 1  32 8  o 28.97249 1.418176  8.427038       0.8195628 9.242225       1.170211  7.642259       1.148177  2.759268       2.836352  
1 1 1 1  32 9  o 24.57818 1.590485  6.069927       0.7791520 6.762739       1.118789  5.417456       1.085729  2.733015       3.180969  
1 1 1 1  32 10 o 32.27562 1.338468  10.26713       0.8368492 11.26546       1.392806  9.703119       1.046884  2.374622       2.676936  
1 1 1 1  32 11 o 32.74062 1.221981  10.72105       0.7963949 11.25341       1.196357  10.29742       1.067218  1.442333       2.443963  
1 1 1 1  32 12 o 11.19894 2.693778  1.167714       0.7039893 1.018520       0.8886039 1.419199       1.153689  -1.669488      5.387556  
1 1 1 1  32 13 o 34.86917 1.134426  12.33712       0.7844331 11.43625       1.160704  13.09452       1.064270  -2.400768      2.268853  
1 1 1 1  32 14 o 25.61536 1.310032  6.669651       0.6667866 6.252850       0.9809723 7.027602       0.9090831 -1.533892      2.620063  
1 1 1 1  32 15 o 28.34152 1.209221  8.122805       0.6849137 8.033157       0.9482983 8.220568       0.9902942 -0.3162384     2.418442  
1 1 1 1  32 16 o 17.41336 2.594460  3.342687       0.8761714 3.745130       1.260785  2.966796       1.218485  2.175966       5.188919  
1 1 1 1  32 17 o 15.44015 2.809211  2.793131       0.8743056 2.957825       1.231470  2.625742       1.241501  0.9977474      5.618423  
1 1 1 1  32 18 o 27.81140 1.879246  8.535787       0.9992162 9.279581       1.282475  7.386754       1.594001  3.835335       3.758491  
1 1 1 1  32 19 o 9.993839 2.824322  0.9535344      0.8662086 1.276647       1.201882  0.6043032      1.249514  1.354508       5.648644  
1 1 1 1  32 20 o 25.36629 1.924849  7.292764       0.9661003 7.406614       1.476501  7.207529       1.277539  -0.1020088     3.849698  
1 1 1 1  33 0  o 57.01882 1.299459  32.62128       1.478018  31.51477       2.067205  33.77851       2.114048  0.000000       0.000000  
1 1 1 1  33 1  o 103.2714 1.052313  106.7337       2.173226  105.3786       3.045153  108.1403       3.102458  -1.335205      2.104626  
1 1 1 1  33 2  o 112.9318 1.110803  127.6794       2.508885  127.6885       3.542108  127.6702       3.554121  0.8499146E-02  2.221607  
1 1 1 1  33 3  o 94.67488 1.015545  89.57192       1.920873  92.84135       2.796720  86.65234       2.642855  3.263374       2.031090  
1 1 1 1  33 4  o 109.2415 1.182533  119.4898       2.559597  119.4323       3.395831  119.5654       3.894909  -0.4074860E-01 2.365066  
1 1 1 1  33 5  o 122.6476 1.189822  150.6384       2.918412  151.2758       4.152707  150.0165       4.102271  0.5111923      2.379643  
1 1 1 1  33 6  o 63.37836 0.9699082 40.21438       1.229414  40.00302       1.734863  40.42760       1.742469  -0.3346291     1.939816  
1 1 1 1  33 7  o 39.78804 1.167838  15.90724       0.9266677 17.11968       1.301960  14.66244       1.319222  3.089115       2.335677  
1 1 1 1  33 8  o 41.74506 1.043503  17.27400       0.8656151 19.14053       1.318861  15.86145       1.147317  3.915520       2.087006  
1 1 1 1  33 9  o 20.24720 2.335968  4.083824       0.9063419 5.474164       1.420615  3.129440       1.177003  6.010786       4.671936  
1 1 1 1  33 10 o 51.89387 0.9438140 27.00179       0.9795387 26.77737       1.385074  27.22633       1.385480  -0.4325409     1.887628  
1 1 1 1  33 11 o 11.74276 2.782647  1.178275       0.7895877 0.5827978      1.025801  2.044022       1.236877  -4.440617      5.565293  
1 1 1 1  33 12 o 56.31731 0.9802526 31.69606       1.090752  32.99043       1.692983  30.77747       1.426208  1.916973       1.960505  
1 1 1 1  33 13 o 52.90341 0.9514324 28.18852       1.004676  27.10585       1.449063  29.19073       1.394178  -1.981457      1.902865  
1 1 1 1  33 14 o 38.24570 1.054573  14.74833       0.8061464 14.59752       1.117918  14.91171       1.163579  -0.3974876     2.109145  
1 1 1 1  33 15 o 42.80764 0.9650522 18.49317       0.8256986 17.62498       1.160905  19.38203       1.174645  -2.047646      1.930104  
1 1 1 1  33 16 o 25.79994 1.821324  6.902890       0.9384188 7.287347       1.323105  6.513726       1.331181  1.504894       3.642648  
1 1 1 1  33 17 o 10.13822 2.870255  0.5630451      0.8956164 1.686574       1.453391  -0.1247911     1.137190  4.269672       5.740510  
1 1 1 1  33 18 o 9.863708 2.905477  0.6685719      0.9356987 0.4642483      1.211673  0.9704384      1.472765  -1.464648      5.810954  
1 1 1 1  33 19 o 11.89842 2.984042  1.530274       0.9283105 2.809335       1.455227  0.6526383      1.205430  5.169067       5.968085  
1 1 1 1  34 0  o 93.49702 1.439610  87.52078       2.687245  90.48336       3.890862  84.81873       3.715852  0.000000       0.000000  
1 1 1 1  34 1  f 116.5888 1.136447  136.0980       2.649926  135.7795       3.740283  136.4190       3.754882  -0.2737045     2.272893  
1 1 1 1  34 2  o 146.3595 1.348524  214.5697       3.947042  212.9038       5.538122  216.2894       5.626857  -1.152451      2.697048  
1 1 1 1  34 3  o 87.20700 0.9913312 76.11481       1.728874  77.07375       2.464522  75.18567       2.425931  1.081154       1.982662  
1 1 1 1  34 4  o 188.7097 1.808952  358.3509       6.789426  367.2260       9.198020  347.7266       10.06366  5.228027       3.617904  
1 1 1 1  34 5  o 143.1332 1.334188  205.3537       3.819281  204.9106       5.385034  205.8022       5.417671  -0.3093872     2.668376  
1 1 1 1  34 6  o 122.6310 1.201452  150.7571       2.946676  151.6064       4.177205  149.9160       4.157325  0.6877441      2.402903  
1 1 1 1  34 7  o 38.86362 1.279302  14.96172       0.9707839 14.32476       1.233296  15.99920       1.573990  -2.125389      2.558605  
1 1 1 1  34 8  o 55.86970 1.074937  31.49819       1.182382  30.16041       1.819908  32.47531       1.555364  -2.097527      2.149873  
1 1 1 1  34 9  o 42.50732 1.038247  18.12534       0.8826312 18.31997       1.253826  17.93415       1.242706  0.4526100      2.076494  
1 1 1 1  34 10 o 45.15919 1.185445  20.57768       1.021484  20.77560       1.270645  20.21607       1.717498  0.6850243      2.370891  
1 1 1 1  34 11 o 27.22107 1.589391  7.784219       0.8132757 6.593980       1.348083  8.465281       1.019747  -3.525873      3.178782  
1 1 1 1  34 12 o 8.876412 2.451150  0.4772113      0.6356679 0.8027092      0.9379978 0.2007624      0.8644409 1.805906       4.902300  
1 1 1 1  34 13 o 33.71548 1.142565  11.55694       0.7641228 12.65699       1.052351  10.33014       1.111325  3.466249       2.285129  
1 1 1 1  34 14 o 46.73783 0.9524011 22.00136       0.8899704 22.08365       1.276120  21.92345       1.241798  0.1620941      1.904802  
1 1 1 1  34 15 o 44.19914 1.154900  19.29634       0.9726257 18.22318       1.190659  21.44875       1.686222  -3.444016      2.309799  
1 1 1 1  34 16 o 42.39713 1.148258  18.43689       0.9622751 19.09239       1.281573  17.58971       1.456961  1.879581       2.296516  
1 1 1 1  34 17 o 9.820816 2.913654  0.4519730      0.9364599 0.7528191E-01  1.171433  1.118930       1.558739  -2.761647      5.827307  
1 1 1 1  34 18 o 14.42883 2.959788  2.657455       0.9142452 3.095813       1.291714  2.217432       1.294165  2.505638       5.919576  
1 1 1 1  34 19 o 13.58974 2.816604  2.488340       0.8209882 2.740900       1.131419  2.207470       1.193144  1.733486       5.633209  
1 1 1 1  35 0  o 66.43394 1.330518  44.29335       1.764289  45.07954       2.484912  43.49416       2.505376  0.000000       0.000000  
1 1 1 1  35 1  o 74.09477 0.9422493 54.92637       1.395955  56.30066       2.001362  53.62429       1.948074  1.804085       1.884499  
1 1 1 1  35 2  o 11.92230 2.695386  1.385649       0.7407542 0.9930104      1.064978  1.753645       1.031017  -2.240401      5.390773  
1 1 1 1  35 3  o 46.58417 1.035161  21.75126       0.9635313 22.50229       1.350546  20.97273       1.375063  1.642868       2.070323  
1 1 1 1  35 4  o 14.86372 2.445478  2.344411       0.7687890 1.091242       1.120403  3.459428       1.056843  -7.356822      4.890956  
1 1 1 1  35 5  o 106.3271 1.183117  113.3012       2.488707  113.6276       3.812550  113.0588       3.285168  0.2273712      2.366234  
1 1 1 1  35 6  o 47.79060 1.265068  22.90969       1.208407  22.91726       1.679620  22.90157       1.739863  0.2157211E-01  2.530136  
1 1 1 1  35 7  f 45.32795 1.009187  20.60172       0.9146047 19.95049       1.289995  21.25997       1.296926  -1.443813      2.018374  
1 1 1 1  35 8  o 63.48151 1.008112  40.33455       1.267164  39.83065       1.672910  41.01281       1.940883  -0.9030685     2.016223  
1 1 1 1  35 9  o 14.16352 2.517146  2.172393       0.7226915 2.641202       0.9698347 1.587039       1.083699  3.377405       5.034293  
1 1 1 1  35 10 o 41.28691 1.109902  17.13850       0.9041440 17.09914       1.396951  17.16687       1.186078  -0.1161575     2.219804  
1 1 1 1  35 11 o 44.23257 1.105881  19.76937       0.9556971 19.34006       1.514903  20.05318       1.231737  -0.8658638     2.211762  
1 1 1 1  35 12 o 28.01943 1.293385  7.922695       0.7225593 7.831991       0.9814886 8.030023       1.067646  -0.3294621     2.586770  
1 1 1 1  35 13 o 28.07079 1.233344  7.978438       0.6914699 8.044106       0.9555577 7.906251       1.001857  0.2616043      2.466689  
1 1 1 1  35 14 o 14.71409 2.649839  2.518006       0.7785072 2.893560       0.9633334 1.810996       1.321762  3.387099       5.299679  
1 1 1 1  35 15 o 66.62904 0.9358421 44.81839       1.246988  45.27420       1.777114  44.37627       1.750210  0.6639938      1.871684  
1 1 1 1  35 16 f 12.14409 3.103710  1.302296       0.8004922 1.018294       0.8885529 2.525817       1.844288  -4.407492      6.207420  
1 1 1 1  35 17 o 8.909603 2.739320  0.1865533      0.8934307 0.4825444      1.413798  -0.1023519E-01 1.152784  1.496249       5.478640  
1 1 1 1  35 18 f 10.68916 3.159904  0.5119742      1.198665  2.481855       1.871006  -0.8593962     1.561106  5.329573       6.319809  
1 1 1 1  36 0  o 17.02953 3.458363  3.675383       1.128302  1.961947       1.565763  5.526232       1.627338  0.000000       0.000000  
1 1 1 1  36 1  o 62.84198 0.9461468 39.54632       1.189022  38.79198       1.678807  40.30556       1.684268  -1.203995      1.892294  
1 1 1 1  36 2  o 49.05838 1.048459  24.11998       1.028295  24.55426       1.442570  23.67137       1.466175  0.9012833      2.096918  
1 1 1 1  36 3  o 67.22261 0.9667231 45.26282       1.299552  45.40368       1.853765  45.12670       1.822327  0.2040787      1.933446  
1 1 1 1  36 4  o 101.0091 1.247178  102.2859       2.518754  100.9658       3.510574  103.6865       3.615873  -1.338188      2.494356  
1 1 1 1  36 5  o 81.25111 1.166893  66.67452       1.817228  64.53339       3.014098  67.89730       2.277772  -2.132751      2.333787  
1 1 1 1  36 6  o 52.83056 1.065528  28.14971       1.113938  29.19064       1.487924  26.82231       1.680241  2.260437       2.131056  
1 1 1 1  36 7  o 10.63551 2.716158  0.8528129      0.8012283 1.576445       1.075838  -0.4841444E-01 1.200619  3.627466       5.432316  
1 1 1 1  36 8  o 68.75841 1.075990  47.47720       1.478478  46.70894       2.123558  48.19995       2.059673  -1.091980      2.151979  
1 1 1 1  36 9  o 9.948085 2.458109  0.7961076      0.6543673 1.450316       0.9008309 0.6526934E-01  0.9521287 3.759039       4.916218  
1 1 1 1  36 10 o 27.12875 1.423241  7.469070       0.7683783 7.011344       1.121374  7.874188       1.054966  -1.607492      2.846482  
1 1 1 1  36 11 o 40.25251 1.139000  16.34042       0.9160431 15.53572       1.297250  17.14075       1.293718  -1.994560      2.278001  
1 1 1 1  36 12 o 30.14212 1.213403  9.183571       0.7305024 8.609822       1.030293  9.763584       1.035903  -1.912210      2.426806  
1 1 1 1  36 13 o 41.31995 0.9911294 17.10249       0.8164480 18.61380       1.214671  15.85697       1.102697  3.304531       1.982259  
1 1 1 1  36 14 o 64.84760 1.067038  42.13442       1.347382  44.29711       2.192755  40.82249       1.707839  2.493237       2.134075  
1 1 1 1  36 15 o 42.94450 1.102187  18.69465       0.9425608 19.51916       1.411339  18.03081       1.266377  1.650959       2.204374  
1 1 1 1  36 16 f 40.50945 1.410441  16.55485       0.9706689 16.14145       1.106331  17.93719       2.023058  -1.384796      2.820882  
1 1 1 1  36 17 o 26.92110 1.906439  7.828487       1.003693  8.419854       1.616073  7.457144       1.280620  1.204441       3.812878  
1 1 1 1  36 18 o 20.39854 2.360842  4.872547       0.9631429 4.849189       1.362140  4.895901       1.362040  -0.1147518     4.721683  
1 1 1 1  37 0  o 17.03403 4.707310  3.797327       1.828546  1.427911       2.484794  6.596120       2.700568  0.000000       0.000000  
1 1 1 1  37 1  f 33.96862 1.769639  11.02342       1.132265  9.997980       1.360393  13.33531       2.042642  -4.833429      3.539279  
1 1 1 1  37 2  f 64.09218 1.299529  41.39566       1.620573  42.04228       2.074025  40.38202       2.596770  1.339912       2.599059  
1 1 1 1  37 3  o 75.36499 1.050753  56.64664       1.562194  55.28394       2.036080  58.59692       2.435824  -2.167397      2.101506  
1 1 1 1  37 4  o 39.54264 1.284468  15.70661       1.014802  15.86461       1.408009  15.53582       1.463916  0.4219971      2.568936  
1 1 1 1  37 5  o 76.41187 1.161796  58.50984       1.683647  58.90170       2.885776  58.30763       2.073038  0.2981873      2.323593  
1 1 1 1  37 6  o 35.61104 1.464173  12.33053       0.9951625 14.19028       1.730602  11.41176       1.216392  3.822250       2.928347  
1 1 1 1  37 7  o 45.07986 1.006096  20.33991       0.9053485 19.65970       1.235197  21.12957       1.330861  -1.619381      2.012191  
1 1 1 1  37 8  o 46.20094 1.043447  21.50099       0.9603227 20.48527       1.401451  22.40009       1.318540  -2.083691      2.086893  
1 1 1 1  37 9  o 38.89946 1.035783  15.21437       0.8051682 14.39785       1.129966  16.05657       1.147598  -2.128700      2.071567  
1 1 1 1  37 10 o 33.69909 1.176240  11.45032       0.7903264 12.67905       1.133341  10.28720       1.102671  3.541059       2.352479  
1 1 1 1  37 11 o 43.71432 1.041961  19.27222       0.9064509 18.92860       1.344034  19.55892       1.227683  -0.7484131     2.083923  
1 1 1 1  37 12 o 21.15351 1.644602  4.651709       0.6814807 3.684753       0.9813107 5.552452       0.9471171 -4.430519      3.289205  
1 1 1 1  37 13 o 53.94798 1.107797  29.18888       1.166307  30.79822       1.887894  28.19557       1.483192  2.245270       2.215595  
1 1 1 1  37 14 o 26.18356 1.552733  7.008932       0.8115586 7.562511       1.190438  6.528253       1.109288  1.926476       3.105467  
1 1 1 1  37 15 o 43.61824 1.113014  19.60341       0.9626672 21.30041       1.320169  17.67642       1.406790  4.215099       2.226027  
1 1 1 1  37 16 o 8.347028 2.459325  0.3310972      0.6852548 0.2154093E-01  0.9283774 0.7016192      1.015691  -1.719473      4.918650  
1 1 1 1  37 17 o 9.167933 2.761196  0.4967094      0.8749975 0.7511032      1.376311  0.3241351      1.133578  1.287566       5.522393  
1 1 1 1  37 18 o 16.17322 2.768978  3.346486       0.8901566 4.481854       1.376925  2.531255       1.166761  4.965319       5.537957  
1 1 1 1  38 0  f 21.46895 2.752893  4.996008       1.052389  6.122680       1.527057  3.976868       1.452357  0.000000       0.000000  
1 1 1 1  38 1  o 56.28393 0.9490859 31.74529       1.067610  31.61991       1.480853  31.88098       1.540573  -0.2269020     1.898172  
1 1 1 1  38 2  o 97.19029 1.041739  94.72720       2.024933  94.49857       2.859277  94.95726       2.868118  -0.2351303     2.083479  
1 1 1 1  38 3  o 9.969025 2.584475  0.7594070      0.7007523 1.218355       0.9639983 0.2451485      1.020435  2.438868       5.168950  
1 1 1 1  38 4  o 43.61276 1.170105  19.09934       1.020401  18.63455       1.443077  19.56411       1.443053  -1.065693      2.340210  
1 1 1 1  38 5  o 78.48337 0.9690489 61.74810       1.520751  63.56395       2.171432  60.00007       2.130486  2.266273       1.938098  
1 1 1 1  38 6  o 60.63382 1.050050  36.74844       1.268077  35.32964       1.704319  38.50790       1.897927  -2.596596      2.100100  
1 1 1 1  38 7  o 26.33474 1.451908  7.022797       0.7606073 6.271820       1.085557  7.747001       1.066031  -2.804588      2.903816  
1 1 1 1  38 8  o 37.93177 1.130662  14.42796       0.8546373 13.87223       1.151941  15.10838       1.274629  -1.604000      2.261323  
1 1 1 1  38 9  o 55.81893 0.9552161 31.32432       1.066307  30.88825       1.497878  31.77237       1.518302  -0.7877998     1.910432  
1 1 1 1  38 10 o 33.74344 1.190148  11.48678       0.8031176 11.39431       1.140593  11.57771       1.131027  -0.2742500     2.380295  
1 1 1 1  38 11 o 57.58081 1.016422  33.40709       1.160100  33.54267       1.763415  33.30365       1.540372  0.1450882      2.032845  
1 1 1 1  38 12 o 35.95024 1.282409  13.27201       0.9006706 12.23137       1.401814  14.00360       1.175377  -2.550697      2.564817  
1 1 1 1  38 13 o 61.99589 1.050340  38.80812       1.290627  39.50283       1.968627  38.28445       1.709189  0.8791962      2.100681  
1 1 1 1  38 14 o 18.10798 2.189823  3.676688       0.7501462 4.566243       1.031966  2.680002       1.092341  5.540684       4.379647  
1 1 1 1  38 15 o 16.56291 2.197268  3.046566       0.7103792 3.248500       0.9814079 2.824322       1.029578  1.642662       4.394535  
1 1 1 1  38 16 o 11.80268 2.753804  1.656867       0.7593061 2.045436       1.125921  1.332731       1.028343  2.084224       5.507607  
1 1 1 1  38 17 o 14.75448 2.991138  2.862128       0.9560519 2.166210       1.373304  3.516593       1.331775  -3.801651      5.982277  
1 1 1 1  39 0  o 12.64896 3.884228  1.970285       1.258665  4.017872       1.855044  0.2234060      1.713422  0.000000       0.000000  
1 1 1 1  39 1  o 45.20787 1.276729  20.53581       1.154317  20.75287       1.632592  20.31883       1.632309  0.4799995      2.553459  
1 1 1 1  39 2  o 56.87876 1.302084  32.62989       1.470967  37.28594       2.090900  28.06741       2.069783  8.100800       2.604168  
1 1 1 1  39 3  o 58.53983 1.039454  34.38127       1.216920  34.54912       1.714525  34.21087       1.727519  0.2903404      2.078907  
1 1 1 1  39 4  o 51.99633 1.067044  27.12882       1.109537  26.78927       1.555798  27.48026       1.582794  -0.6612358     2.134087  
1 1 1 1  39 5  o 25.42168 1.523838  6.537193       0.7712200 6.767476       1.053292  6.271052       1.132331  0.9917774      3.047675  
1 1 1 1  39 6  o 29.75245 1.334473  8.962398       0.7855918 9.276784       1.048566  8.560138       1.186090  1.230141       2.668947  
1 1 1 1  39 7  o 33.51109 1.153406  11.31958       0.7721304 11.84972       1.086087  10.77781       1.097923  1.601849       2.306812  
1 1 1 1  39 8  o 37.92094 1.132399  14.49583       0.8584875 14.17232       1.221688  14.81141       1.206622  -0.8462563     2.264798  
1 1 1 1  39 9  o 13.84436 2.492362  2.055534       0.6954795 1.748858       0.9663932 2.385006       1.001668  -2.109057      4.984725  
1 1 1 1  39 10 o 21.80121 1.694686  4.868129       0.7363211 5.142782       1.020368  4.569704       1.063608  1.333138       3.389372  
1 1 1 1  39 11 o 17.81782 2.752666  3.215958       0.8490568 4.060568       1.725899  2.946285       0.9752287 2.394131       5.505332  
1 1 1 1  39 12 o 31.93271 1.243316  10.36495       0.7936250 10.61245       1.113972  10.10986       1.130930  0.7946377      2.486632  
1 1 1 1  39 13 f 17.17545 2.226474  3.140508       0.7454463 2.648858       1.018337  3.708126       1.094186  -3.298124      4.452948  
1 1 1 1  39 14 o 11.05793 2.563737  1.213514       0.7318081 0.2544211      1.022191  2.221965       1.048164  -5.454833      5.127475  
1 1 1 1  39 15 o 18.87693 2.226971  4.034885       0.8072225 4.781242       1.133597  3.267114       1.149745  4.325314       4.453943  
1 1 1 1  39 16 o 10.43280 2.636810  1.200396       0.7125435 0.7558208      0.9796570 1.699763       1.038273  -2.667875      5.273619  
1 1 1 1  39 17 f 23.40997 2.162882  6.436496       1.010278  6.101854       1.443498  6.757802       1.414444  -1.482988      4.325763  
1 1 1 1  40 0  o 40.81652 1.410261  16.84434       1.144274  16.08761       1.622922  17.59241       1.613613  0.000000       0.000000  
1 1 1 1  40 1  o 28.08132 1.351649  7.989355       0.7504581 6.600893       1.059955  9.384930       1.062667  -4.956680      2.703299  
1 1 1 1  40 2  o 45.39718 1.002651  20.67450       0.9101098 21.35741       1.297940  20.01395       1.276506  1.477066       2.005302  
1 1 1 1  40 3  o 67.34599 0.9248284 45.39959       1.243855  47.22749       1.819899  43.79714       1.703971  2.533005       1.849657  
1 1 1 1  40 4  o 17.27999 1.889644  3.018968       0.6522769 2.863804       0.8970150 3.193076       0.9501983 -0.9393539     3.779289  
1 1 1 1  40 5  o 13.63722 2.385965  1.990936       0.6497490 2.242050       0.9064424 1.725546       0.9318522 1.771577       4.771931  
1 1 1 1  40 6  o 48.44347 0.9782283 23.55629       0.9472035 22.75276       1.312435  24.42984       1.368415  -1.720951      1.956457  
1 1 1 1  40 7  o 20.00424 1.736977  4.058775       0.6933901 3.833386       0.9429542 4.324133       1.023151  -1.196692      3.473954  
1 1 1 1  40 8  o 18.30383 1.904767  3.416239       0.6960171 3.140800       0.9619736 3.718842       1.008293  -1.560167      3.809533  
1 1 1 1  40 9  o 68.66745 0.9442007 47.25997       1.294086  50.65878       1.904044  44.34214       1.764178  4.566597       1.888401  
1 1 1 1  40 10 o 17.16224 2.356231  2.905206       0.7762160 4.438969       1.288527  2.031583       0.9724703 7.009094       4.712462  
1 1 1 1  40 11 o 29.52405 1.353585  8.871159       0.7981283 9.170117       1.166734  8.608216       1.094202  0.9146099      2.707170  
1 1 1 1  40 12 o 44.91610 1.263490  20.45336       1.096750  20.21516       1.380330  20.86125       1.806268  -0.5069504     2.526980  
1 1 1 1  40 13 o 47.52013 1.138415  22.89813       1.068329  24.16190       1.664907  22.01356       1.392910  2.076477       2.276831  
1 1 1 1  40 14 o 30.41308 1.454326  9.670597       0.8772646 9.274200       1.310496  9.992460       1.180882  -1.310320      2.908652  
1 1 1 1  40 15 o 16.04229 2.374546  2.818823       0.7897978 1.205080       1.022189  5.209339       1.244113  -11.31058      4.749093  
1 1 1 1  40 16 o 29.06870 1.832511  9.226089       1.062155  10.25281       1.545246  8.306501       1.462404  3.195484       3.665021  
1 1 1 1  41 0  o 32.80417 1.630218  10.96269       1.057777  11.66212       1.520254  10.30630       1.472723  0.000000       0.000000  
1 1 1 1  41 1  o 106.1449 1.086318  113.1726       2.305985  114.2696       3.284627  112.1065       3.238179  1.011971       2.172636  
1 1 1 1  41 2  o 21.47639 1.600403  4.688192       0.6834010 5.108795       0.9489256 4.234971       0.9850358 2.042915       3.200807  
1 1 1 1  41 3  o 41.46641 1.011764  17.26616       0.8386563 18.04599       1.203938  16.53103       1.168916  1.820633       2.023529  
1 1 1 1  41 4  o 41.85107 1.026205  17.61003       0.8583861 17.63301       1.237005  17.58870       1.192121  0.4449081E-01  2.052411  
1 1 1 1  41 5  o 26.16851 1.411012  6.876448       0.7328454 8.175310       1.081318  5.773020       0.9966519 4.566999       2.822023  
1 1 1 1  41 6  o 33.89742 1.192372  11.59417       0.8079634 11.98965       1.141065  11.19652       1.144207  1.170704       2.384743  
1 1 1 1  41 7  f 21.16956 1.752463  4.563001       0.7414615 4.489926       1.026457  4.642736       1.072208  -0.3435154     3.504926  
1 1 1 1  41 8  o 37.58039 1.254357  13.73480       0.9106431 12.33148       1.127017  16.37426       1.545647  -5.247704      2.508714  
1 1 1 1  41 9  o 33.80121 1.203963  11.55800       0.8126521 11.52714       1.118053  11.59257       1.183243  -0.7423401E-01 2.407927  
1 1 1 1  41 10 o 33.07556 1.218819  11.14834       0.8024870 11.79228       1.105164  10.43014       1.167148  2.085560       2.437638  
1 1 1 1  41 11 o 47.57352 1.298074  23.13232       1.224083  23.68432       1.638062  22.43427       1.842069  1.417427       2.596148  
1 1 1 1  41 12 o 45.95630 1.134181  21.44637       1.032123  22.04114       1.583413  21.00697       1.360991  0.9938393      2.268363  
1 1 1 1  41 13 o 26.52579 1.585966  7.420933       0.8331289 6.958203       1.242231  7.799227       1.123187  -1.712170      3.171932  
1 1 1 1  41 14 o 11.01272 2.798829  1.347682       0.7849464 1.263722       1.061932  1.448806       1.165438  -0.5837202     5.597659  
1 1 1 1  41 15 o 41.20112 1.431548  17.96461       1.179060  18.36303       1.656361  17.55536       1.678751  1.012138       2.863097  
1 1 1 1  41 16 o 10.63983 3.138323  1.341256       1.111579  0.9994767      1.787177  1.556895       1.419574  -0.6633816     6.276646  
1 1 1 1  42 0  o 81.25004 1.368257  66.44114       2.220514  65.81361       3.122175  67.08343       3.158707  0.000000       0.000000  
1 1 1 1  42 1  o 50.66898 0.9495863 25.81422       0.9612339 27.14935       1.357445  24.47140       1.361344  2.643265       1.899173  
1 1 1 1  42 2  o 108.1053 1.107355  117.5429       2.393360  120.4085       3.441528  114.8590       3.330640  2.544022       2.214709  
1 1 1 1  42 3  o 43.03556 1.082133  18.67280       0.9292165 19.16099       1.281497  18.13154       1.349348  1.210651       2.164266  
1 1 1 1  42 4  o 15.97417 2.168692  2.681142       0.6653777 2.375924       0.8943432 3.059523       0.9957814 -2.078297      4.337384  
1 1 1 1  42 5  o 50.01859 1.015244  25.16550       1.015275  25.41378       1.457840  24.93167       1.414761  0.4727211      2.030489  
1 1 1 1  42 6  o 43.00874 1.060945  18.61520       0.9121605 19.42550       1.309142  17.85065       1.271654  1.821911       2.121890  
1 1 1 1  42 7  o 43.52254 1.289905  19.16845       1.122641  18.74562       1.574682  19.60550       1.600952  -0.9790802     2.579810  
1 1 1 1  42 8  o 27.69313 1.446092  7.950666       0.7795740 9.891075       1.093849  5.947753       1.111327  7.126738       2.892185  
1 1 1 1  42 9  o 23.73395 1.659790  5.705393       0.7777533 7.144655       1.167945  4.558639       1.042528  5.378189       3.319580  
1 1 1 1  42 10 o 45.27664 1.169073  20.87901       1.052215  21.70825       1.430013  19.89999       1.553794  2.050659       2.338147  
1 1 1 1  42 11 o 28.18411 1.704227  8.001766       0.8863948 8.800408       1.628978  7.665828       1.056498  1.602936       3.408455  
1 1 1 1  42 12 o 24.67480 1.674011  6.406386       0.8260165 6.526052       1.169532  6.287280       1.166800  0.4808273      3.348021  
1 1 1 1  42 13 o 9.879389 2.664622  0.9514151      0.7297055 0.9067556      0.9820935 1.006456       1.090284  -0.4346285     5.329245  
1 1 1 1  42 14 o 13.83706 2.797740  1.942050       0.8642923 0.7851726      1.062431  4.205751       1.486164  -8.932014      5.595480  
1 1 1 1  42 15 o 13.51895 3.166386  2.263867       1.049504  1.165328       1.364331  3.856090       1.642532  -6.146530      6.332773  
1 1 1 1  43 0  o 37.66052 1.587679  14.41456       1.185065  14.00624       1.621405  14.88284       1.736364  0.000000       0.000000  
1 1 1 1  43 1  o 25.44933 1.434041  6.562717       0.7271379 6.619786       0.9888491 6.495529       1.072948  0.2699795      2.868081  
1 1 1 1  43 2  o 17.01255 2.119843  3.041864       0.6996000 2.610632       0.9986891 3.457390       0.9803339 -2.774081      4.239687  
1 1 1 1  43 3  o 53.82241 0.9772494 29.18597       1.050049  30.53483       1.466150  27.76546       1.504584  2.580624       1.954499  
1 1 1 1  43 4  o 14.13508 2.671330  2.210220       0.7651746 1.805339       1.249676  2.453055       0.9678078 -1.987889      5.342660  
1 1 1 1  43 5  o 46.78779 1.252526  22.12631       1.171003  22.02863       1.690158  22.21648       1.623923  -0.2205124     2.505052  
1 1 1 1  43 6  o 16.60970 2.260478  2.962025       0.7227744 2.817933       1.037841  3.097724       1.007164  -0.8812046     4.520956  
1 1 1 1  43 7  o 10.86736 2.607676  1.165913       0.6871604 0.8377141      0.9891028 1.472100       0.9553586 -1.847499      5.215352  
1 1 1 1  43 8  o 23.43028 1.983797  5.671070       0.9269210 5.292274       1.254162  6.127055       1.376025  -1.697483      3.967594  
1 1 1 1  43 9  o 66.13867 1.065804  43.98040       1.386770  45.78612       2.184856  42.76213       1.794607  2.133507       2.131607  
1 1 1 1  43 10 o 70.79457 1.028574  50.67160       1.455802  52.56153       2.087921  48.88350       2.030893  2.574722       2.057148  
1 1 1 1  43 11 o 33.87872 1.462700  11.82141       0.9682796 12.30504       1.555405  11.51539       1.237261  0.8795242      2.925400  
1 1 1 1  43 12 o 14.62477 2.566566  2.539477       0.7460162 2.782738       0.9777372 2.200532       1.154118  2.088621       5.133133  
1 1 1 1  43 13 o 11.42044 2.939404  1.359743       0.8810163 0.7345660      1.134346  2.310197       1.398653  -3.984365      5.878807  
1 1 1 1  43 14 o 29.10759 1.846734  9.535340       1.035777  7.322788       1.532065  11.39796       1.405699  -7.223633      3.693467  
1 1 1 1  43 15 o 10.34146 3.160609  1.043995       1.210822  1.485686       1.701317  0.5906469      1.723622  1.276632       6.321219  
1 1 1 1  44 0  o 26.48813 2.043388  7.348883       1.065082  8.280206       1.455790  6.276218       1.562357  0.000000       0.000000  
1 1 1 1  44 1  o 19.48980 2.059216  3.933314       0.7728761 4.859452       1.135516  3.133935       1.054949  4.636908       4.118432  
1 1 1 1  44 2  o 54.49488 1.190871  29.97746       1.297166  30.08561       1.805716  29.86213       1.864643  0.2213554      2.381743  
1 1 1 1  44 3  f 62.80087 1.161160  39.81358       1.458246  40.23639       2.053268  39.38328       2.071394  0.6843834      2.322320  
1 1 1 1  44 4  o 14.59502 2.726346  2.301251       0.8002136 2.107945       1.049240  2.570014       1.237190  -1.378256      5.452692  
1 1 1 1  44 5  o 40.51417 1.199606  16.63848       0.9557363 16.78690       1.246507  16.42677       1.488760  0.5278091      2.399213  
1 1 1 1  44 6  o 34.16232 1.410788  11.19337       0.9260601 14.32189       1.604771  9.631416       1.133909  6.674702       2.821575  
1 1 1 1  44 7  o 23.75149 1.897026  5.867249       0.8988516 5.638369       1.300844  6.076374       1.243435  -0.9626465     3.794053  
1 1 1 1  44 8  f 24.92497 1.587981  6.379613       0.7911888 6.124293       1.115500  6.638079       1.122352  -1.026585      3.175961  
1 1 1 1  44 9  o 67.14207 1.053770  45.52912       1.407591  46.58305       2.111624  44.68631       1.888310  1.321342       2.107540  
1 1 1 1  44 10 o 25.81387 1.966682  6.577392       0.9740934 5.283293       1.190305  9.201316       1.694925  -6.988571      3.933364  
1 1 1 1  44 11 o 27.41545 1.601781  7.872519       0.8771691 8.001831       1.276720  7.756906       1.207206  0.3726501      3.203562  
1 1 1 1  44 12 o 24.03358 2.017982  6.495732       0.9216017 7.123657       1.180170  5.514362       1.475391  3.810932       4.035964  
1 1 1 1  44 13 f 8.489079 2.669256  0.4206510E-01  0.9148363 -0.2422176     1.289321  0.3303095      1.298274  -0.8829355     5.338511  
1 1 1 1  44 14 o 9.171057 2.932705  0.1772584      1.156348  -0.4308784     1.588467  0.8628435      1.686585  -1.764124      5.865409  
1 1 1 1  45 0  o 87.76599 1.439156  77.78316       2.523043  78.24520       3.589034  77.33176       3.547571  0.000000       0.000000  
1 1 1 1  45 1  o 50.31136 0.9839422 25.51204       0.9889024 25.56476       1.366616  25.45410       1.432766  0.1284752      1.967884  
1 1 1 1  45 2  o 30.29028 1.302067  9.301108       0.7887731 9.207694       1.110490  9.396226       1.120566  -0.3074303     2.604135  
1 1 1 1  45 3  o 24.84722 1.520700  6.255848       0.7535934 5.708908       1.025351  6.898344       1.111316  -2.356024      3.041399  
1 1 1 1  45 4  o 11.77116 2.801628  1.343435       0.8469916 0.3573923      1.284922  2.101103       1.126337  -4.185106      5.603255  
1 1 1 1  45 5  f 53.17438 1.206040  28.95353       1.217107  29.63544       1.511307  27.69509       2.053075  2.036713       2.412081  
1 1 1 1  45 6  o 41.31184 1.118148  17.15248       0.9195346 15.10621       1.243727  19.61958       1.365643  -5.412235      2.236297  
1 1 1 1  45 7  o 36.22012 1.229262  13.35237       0.8893387 13.08608       1.282644  13.59892       1.234185  -0.7315674     2.458524  
1 1 1 1  45 8  o 28.88374 1.454220  8.564125       0.8379048 9.061158       1.169829  8.040489       1.200728  1.784920       2.908440  
1 1 1 1  45 9  o 71.98306 1.079554  52.63801       1.537074  51.49417       2.019665  54.21242       2.369509  -1.661278      2.159107  
1 1 1 1  45 10 o 43.91148 1.309228  20.10666       1.111762  20.77794       1.418829  19.03890       1.789429  2.298454       2.618455  
1 1 1 1  45 11 o 19.34852 2.476457  4.128163       0.9180487 2.863858       1.189192  5.993129       1.444313  -7.851094      4.952914  
1 1 1 1  45 12 o 11.51518 3.091492  1.465555       1.000200  0.8788141      1.352934  2.172730       1.485309  -2.880548      6.182985  
1 1 1 1  45 13 o 10.36275 3.117271  0.9404281      1.132656  1.026668       1.581195  0.8495378      1.623268  0.2296562      6.234542  
1 1 1 1  46 0  o 36.26556 2.089252  13.45866       1.485294  11.87837       1.972061  15.53021       2.257877  0.000000       0.000000  
1 1 1 1  46 1  o 8.468023 2.529792  -0.1542667     0.8050876 -1.199548      1.179429  0.7577393      1.101676  -3.074283      5.059584  
1 1 1 1  46 2  o 28.80290 1.629602  8.357045       0.9311149 9.877405       1.420452  7.211565       1.232955  4.531511       3.259205  
1 1 1 1  46 3  f 53.41203 1.079758  28.88191       1.150370  28.66255       1.685819  29.07306       1.573701  -0.4278831     2.159515  
1 1 1 1  46 4  o 22.37981 1.750521  5.165039       0.7829030 4.887303       1.090222  5.460767       1.124980  -1.258566      3.501043  
1 1 1 1  46 5  o 15.15644 2.554074  2.543539       0.7642584 2.608425       1.078766  2.478154       1.082895  0.4172630      5.108148  
1 1 1 1  46 6  o 11.88284 2.728241  1.471079       0.7547724 1.053080       1.034778  1.946300       1.103336  -2.714274      5.456481  
1 1 1 1  46 7  o 21.67086 1.708746  4.871348       0.7401567 4.697246       1.025872  5.060374       1.068934  -0.8035126     3.417492  
1 1 1 1  46 8  o 18.24673 2.299832  3.726991       0.8075726 4.524841       1.136221  2.912470       1.148030  4.712970       4.599663  
1 1 1 1  46 9  o 27.03660 1.551191  7.687783       0.8316382 8.130126       1.128598  7.162223       1.230186  1.894108       3.102383  
1 1 1 1  46 10 o 16.12337 3.013109  3.245981       1.002755  3.924533       1.413256  2.558027       1.423014  3.770114       6.026218  
1 1 1 1  46 11 f 35.96330 1.755508  14.04861       1.248573  13.34070       1.876740  14.61074       1.672374  -2.094864      3.511016  
1 1 1 1  46 12 o 10.43091 3.024784  0.6154299      1.150771  2.146765       1.553051  -1.248984      1.713648  4.720403       6.049568  
1 1 1 1  46 13 o 9.753937 3.239257  0.3644900E-01  1.376411  -0.2135569     1.579000  0.8275171      2.808755  -2.522081      6.478515  
1 1 1 1  47 0  o 42.78993 1.488331  18.67942       1.264667  17.89973       1.818631  19.40950       1.759836  0.000000       0.000000  
1 1 1 1  47 1  o 25.81647 1.445178  6.802279       0.7448063 6.741512       1.020808  6.871455       1.089140  -0.2162094     2.890356  
1 1 1 1  47 2  o 42.05754 1.093891  17.95926       0.9156795 18.53480       1.247877  17.28785       1.347823  1.522141       2.187782  
1 1 1 1  47 3  o 23.16010 1.684038  5.579484       0.7714867 4.729903       1.103268  6.392439       1.079224  -3.604900      3.368077  
1 1 1 1  47 4  o 50.17833 1.030553  25.46967       1.034000  26.23263       1.474522  24.73151       1.450372  1.485981       2.061106  
1 1 1 1  47 5  o 37.14167 1.198411  14.01115       0.8887503 12.93932       1.239840  15.14401       1.274649  -2.951187      2.396822  
1 1 1 1  47 6  o 11.72391 2.673062  1.519432       0.7459323 0.9122128      1.089381  2.055442       1.023513  -3.310796      5.346124  
1 1 1 1  47 7  o 32.55362 1.324454  10.96195       0.8564013 10.73356       1.279862  11.14713       1.152408  -0.7448730     2.648908  
1 1 1 1  47 8  o 27.12609 1.581357  7.677743       0.8563674 8.262369       1.254868  7.168139       1.171589  1.929050       3.162714  
1 1 1 1  47 9  o 43.68746 1.384410  19.66875       1.201444  18.01726       1.590011  21.86655       1.834237  -4.141350      2.768821  
1 1 1 1  47 10 o 21.34345 2.660998  5.506416       1.085164  6.938364       1.537006  4.083198       1.532313  6.980257       5.321995  
1 1 1 1  47 11 o 24.88535 2.457050  7.268241       1.208195  8.294811       1.697368  6.213926       1.720152  4.235418       4.914099  
1 1 1 1  47 12 o 12.67589 3.623858  2.533657       1.419867  2.705437       1.728431  2.177167       2.489941  1.073340       7.247716  
1 1 1 1  48 0  o 41.04474 1.521223  17.23319       1.238298  16.24678       1.776603  18.16517       1.726891  0.000000       0.000000  
1 1 1 1  48 1  o 23.25123 1.595726  5.561270       0.7241998 7.230459       1.058191  4.090706       0.9932380 6.713242       3.191453  
1 1 1 1  48 2  o 26.70256 1.398514  7.263133       0.7456280 6.893476       1.019227  7.688750       1.093658  -1.448130      2.797027  
1 1 1 1  48 3  o 18.28618 2.120456  3.567122       0.7565359 3.986447       1.106361  3.198849       1.036828  2.344658       4.240911  
1 1 1 1  48 4  o 11.06177 2.661873  1.292814       0.7226887 0.8636644      1.018793  1.727470       1.025310  -2.517442      5.323746  
1 1 1 1  48 5  o 20.46476 1.929460  4.471334       0.7872610 4.656756       1.088540  4.267982       1.139948  1.011095       3.858920  
1 1 1 1  48 6  o 29.73055 1.491005  9.212901       0.8860719 9.643803       1.265491  8.798482       1.241056  1.396904       2.982011  
1 1 1 1  48 7  f 30.08785 1.880828  9.787158       1.117630  8.869257       1.659463  10.54912       1.511951  -2.987228      3.761657  
1 1 1 1  48 8  o 10.73540 2.998644  1.107836       0.9589953 0.8274973      1.368378  1.378433       1.344389  -1.111062      5.997287  
1 1 1 1  48 9  o 22.26251 2.595561  5.874609       1.123351  5.731077       1.655397  5.997120       1.529390  -1.229496      5.191122  
1 1 1 1  48 10 o 9.504314 3.098679  -0.2003314     1.343904  0.3409552      1.611239  -1.437785      2.436188  0.1745625      6.197358  
1 1 1 1  48 11 o 10.41666 3.459632  0.2981895      1.834849  0.6410556      2.683362  -0.2903757E-02 2.514591  0.6689711      6.919264  
1 1 1 1  49 0  o 10.61672 3.454901  1.495357       1.007283  3.102035       1.457807  0.2750812E-01  1.393402  0.000000       0.000000  
1 1 1 1  49 1  o 15.94230 2.501515  2.903494       0.7777904 3.142829       1.096373  2.661000       1.103586  1.493934       5.003029  
1 1 1 1  49 2  o 7.910092 2.479913  -0.1510424     0.7715518 -0.2973908     1.019253  0.4535806E-01  1.180753  -1.124044      4.959825  
1 1 1 1  49 3  o 22.64336 2.038942  5.649598       0.8876318 4.929739       1.402084  6.131087       1.146684  -2.986532      4.077885  
1 1 1 1  49 4  o 25.96707 1.623239  7.089028       0.8422527 7.323095       1.181710  6.847350       1.200769  0.9370079      3.246477  
1 1 1 1  49 5  o 55.19207 1.241929  31.35400       1.370633  31.01520       1.916181  31.70896       1.961342  -0.5905304     2.483858  
1 1 1 1  49 6  o 37.47223 1.532061  14.79866       1.144127  15.24037       1.570264  14.29878       1.670460  1.375607       3.064123  
1 1 1 1  49 7  o 11.06881 3.004878  1.183210       0.9734368 2.054707       1.427097  0.4249057      1.331196  3.528680       6.009757  
1 1 1 1  49 8  o 14.96231 4.030173  2.217864       1.555781  0.7501963      1.800941  6.534632       3.088624  -8.775006      8.060347  
1 1 1 1  49 9  o 13.36378 3.889179  2.185543       1.738126  0.7144375      2.358166  3.935376       2.571879  -4.385226      7.778358  
1 1 1 1  49 10 o 10.73221 3.499441  0.5585588      1.786777  2.062659       2.547275  -0.8983253     2.506974  2.599104       6.998882  
1 1 1 1  50 0  o 25.79609 2.285120  7.181215       1.165082  7.412220       1.617234  6.931960       1.679903  0.000000       0.000000  
1 1 1 1  50 1  o 8.529364 2.611886  -0.4179911     0.9164804 -1.891373      1.309991  0.9945075      1.282640  -3.979403      5.223772  
1 1 1 1  50 2  o 24.61554 2.264545  6.771836       1.085161  7.437319       1.437532  5.890263       1.654546  3.468416       4.529089  
1 1 1 1  50 3  o 24.40643 2.779325  6.975229       1.314310  6.091252       1.862196  7.852627       1.855254  -3.968710      5.558649  
1 1 1 1  50 4  o 27.43580 2.239263  8.416961       1.183897  8.625851       1.506355  8.079455       1.914733  1.697767       4.478525  
1 1 1 1  50 5  o 10.64771 3.171368  0.6405706      1.079113  0.1460884      1.300427  1.733979       1.933757  -3.676981      6.342736  
1 1 1 1  50 6  o 21.44801 4.542878  7.144791       2.180961  11.13764       3.478826  4.559264       2.799406  9.718754       9.085755  
1 1 1 1  50 7  o 13.39659 3.690345  2.351903       1.445869  1.488301       1.947858  3.411646       2.157749  -3.304854      7.380689  
1 1 1 1  50 8  o 16.61267 4.075006  4.245542       1.794230  2.212887       2.479229  6.480917       2.599920  -7.157632      8.150013  
1 1 1 1  50 9  o 9.176396 4.441429  0.000000       0.000000  ?              ?         -1.287481      2.515924  ?              ?         
1 1 1 1  51 0  o 8.365725 3.962698  -0.9667447E-01 1.785987  -1.173621      2.442672  1.140387       2.617964  0.000000       0.000000  
1 1 1 1  51 1  o 30.30622 2.251728  10.10055       1.354291  9.279359       1.785287  11.21363       2.078490  -2.671385      4.503455  
1 1 1 1  51 2  o 11.79684 3.159313  1.055970       1.211230  3.012719       1.687845  -1.021627      1.739185  6.584836       6.318626  
1 1 1 1  51 3  o 17.06624 6.186415  0.000000       0.000000  ?              ?         4.672348       2.725857  ?              ?         
1 1 1 1  51 4  o 14.30706 4.042006  2.985999       1.767110  2.422126       2.797897  3.360194       2.279240  -1.433995      8.084012  
1 1 1 1  51 5  o 45.06348 2.860771  24.49121       2.561506  27.35883       3.904873  22.32523       3.393707  4.195911       5.721541  
1 1 1 1  51 6  o 13.10483 5.365036  0.000000       0.000000  ?              ?         2.322540       2.240385  ?              ?         
1 1 1 1  51 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  51 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  52 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  52 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  52 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  52 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  52 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  53 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  53 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  53 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  53 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  53 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  54 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1  54 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  0  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  0  1  o 213.5437 3.626059  457.0873       15.46650  455.9988       21.82189  458.1860       21.92433  0.000000       0.000000  
1 1 1 2  0  2  o 41.46104 0.6867322 17.15526       0.5255677 17.38497       0.9483023 17.05342       0.6314108 0.000000       0.000000  
1 1 1 2  0  3  o 40.81498 0.5763076 16.64407       0.4695065 15.91490       0.6459735 17.46062       0.6835868 0.000000       0.000000  
1 1 1 2  0  4  o 269.9863 3.239858  729.6819       17.47783  718.9849       24.35928  741.0320       25.09176  0.000000       0.000000  
1 1 1 2  0  5  o 215.0397 2.586912  463.0718       11.11799  466.0231       15.82195  460.1929       15.62631  0.000000       0.000000  
1 1 1 2  0  6  o 566.4529 8.371530  3222.448       88.96876  3254.551       155.5693  3206.844       108.4549  0.000000       0.000000  
1 1 1 2  0  7  o 201.2661 2.432229  405.4377       9.781650  399.9081       13.64937  411.2758       14.02496  0.000000       0.000000  
1 1 1 2  0  8  o 205.0739 3.059363  415.8694       11.59314  435.4361       21.05256  407.3535       13.88868  0.000000       0.000000  
1 1 1 2  0  9  o 243.8220 3.586235  602.1835       16.76064  571.9763       27.58601  619.8597       21.10220  0.000000       0.000000  
1 1 1 2  0  10 o 312.0392 3.760653  975.3907       23.45138  965.2131       32.85741  985.9589       33.48193  0.000000       0.000000  
1 1 1 2  0  11 o 170.6540 2.101285  291.6267       7.165993  293.2264       10.23173  290.0865       10.03949  0.000000       0.000000  
1 1 1 2  0  12 o 11.20586 3.479367  1.879624       0.7932543 0.7177268      2.123042  2.068153       0.8551928 0.000000       0.000000  
1 1 1 2  0  13 o 19.23759 3.079817  4.263731       1.026445  3.747940       1.499550  4.718462       1.407998  0.000000       0.000000  
1 1 1 2  0  14 o 123.5197 2.010450  151.7722       4.535415  156.1431       8.368501  149.9544       5.396718  0.000000       0.000000  
1 1 1 2  0  15 o 230.2681 2.824288  532.4070       12.99462  535.9675       18.62057  529.0269       18.14308  0.000000       0.000000  
1 1 1 2  0  16 o 16.52785 3.473580  4.261093       1.041967  1.691836       2.184959  5.017375       1.185444  0.000000       0.000000  
1 1 1 2  0  17 o 10.56139 3.863236  1.678143       1.062656  0.3766385      2.328956  2.020349       1.194215  0.000000       0.000000  
1 1 1 2  0  18 o 11.03618 3.993775  0.6022521      0.9995347 3.874605       2.324119  -0.1403575     1.107155  0.000000       0.000000  
1 1 1 2  0  19 o 9.246187 3.917410  1.031464       1.086829  0.5084662      2.570021  1.145362       1.199349  0.000000       0.000000  
1 1 1 2  0  20 f 30.93529 2.864406  10.51737       1.231563  9.736621       2.849061  10.69678       1.365757  0.000000       0.000000  
1 1 1 2  0  21 o 15.19613 4.515609  3.661552       1.452785  2.443938       2.830510  4.097035       1.692761  0.000000       0.000000  
1 1 1 2  0  22 o 34.02435 3.771204  8.621487       1.348046  19.69778       5.274765  7.847503       1.394350  0.000000       0.000000  
1 1 1 2  0  23 o 8.592818 3.583751  1.106268       0.9799892 -1.587570      3.005928  1.426643       1.036627  0.000000       0.000000  
1 1 1 2  0  24 o 36.02948 3.112855  17.12908       1.548073  10.65287       2.969655  19.54572       1.814059  0.000000       0.000000  
1 1 1 2  1  0  o 167.6438 2.499437  272.0224       7.546985  260.4412       8.831309  303.3810       14.53205  0.000000       0.000000  
1 1 1 2  1  1  o 156.9280 1.441587  245.1799       4.451803  240.1715       5.771791  252.5349       6.994548  -3.933090      2.883173  
1 1 1 2  1  2  o 398.5726 3.645320  1589.980       28.74160  1586.238       37.92751  1595.028       44.04957  -1.027008      7.290641  
1 1 1 2  1  3  o 83.18407 0.7232457 69.14142       1.202458  70.71902       1.738993  67.69605       1.664516  1.816856       1.446491  
1 1 1 2  1  4  o 304.0453 2.574775  924.3486       15.64689  905.3212       21.66483  945.0951       22.62230  -6.531311      5.149549  
1 1 1 2  1  5  o 91.61212 0.8079211 83.90852       1.479948  85.21621       2.121610  82.66915       2.065444  1.389839       1.615842  
1 1 1 2  1  6  o 326.2487 3.196259  1065.168       20.84129  1042.526       28.83932  1089.920       30.15259  -7.240204      6.392519  
1 1 1 2  1  7  o 82.06992 0.9340891 67.18343       1.438843  67.87550       2.521407  66.84925       1.752139  0.6223831      1.868178  
1 1 1 2  1  8  o 371.4054 4.071115  1379.200       29.56053  1371.259       37.93876  1391.468       47.15953  -2.609406      8.142229  
1 1 1 2  1  9  o 467.6414 4.581470  2190.930       42.83521  2157.885       59.65104  2226.111       61.54985  -7.261383      9.162939  
1 1 1 2  1  10 o 412.8324 3.506385  1707.197       28.94773  1691.286       40.57178  1723.696       41.31488  -3.911438      7.012770  
1 1 1 2  1  11 o 163.9420 1.539324  269.6389       5.018801  276.2433       6.795830  261.7155       7.443636  4.439651       3.078648  
1 1 1 2  1  12 o 131.8640 1.362877  173.9905       3.593995  174.8956       5.120686  173.1117       5.045501  0.6750641      2.725753  
1 1 1 2  1  13 o 49.61449 0.9096204 24.67589       0.8849415 24.37183       1.392030  24.88213       1.146417  -0.5182495     1.819241  
1 1 1 2  1  14 o 90.25397 1.033066  81.51624       1.864719  82.27164       2.646632  80.77161       2.627693  0.8304977      2.066131  
1 1 1 2  1  15 o 87.36471 0.9273418 76.38459       1.620266  75.90157       2.297392  76.86262       2.285459  -0.5503540     1.854684  
1 1 1 2  1  16 o 80.83454 1.040426  64.84441       1.633765  67.78368       2.673962  63.09353       2.063777  2.877350       2.080852  
1 1 1 2  1  17 o 88.45207 1.012805  78.24952       1.789644  75.66079       2.460119  81.15937       2.608248  -3.098427      2.025610  
1 1 1 2  1  18 o 69.14362 1.071333  47.66716       1.442748  46.67009       1.832938  49.29095       2.339103  -1.838623      2.142667  
1 1 1 2  1  19 o 39.20380 1.137195  15.43744       0.8902084 14.24690       1.235901  16.72110       1.283328  -3.146942      2.274390  
1 1 1 2  1  20 o 40.68710 1.166154  16.69572       0.9483421 16.49546       1.360847  16.88480       1.322301  -0.4879875     2.332308  
1 1 1 2  1  21 f 33.62811 1.454969  11.94108       0.8858613 10.40887       1.585885  12.63600       1.068019  -3.516037      2.909937  
1 1 1 2  1  22 f 53.20281 1.155114  28.86121       1.200395  28.02628       1.899075  29.41677       1.549113  -1.461914      2.310228  
1 1 1 2  1  23 o 37.49255 1.579476  14.78144       1.064754  14.54216       1.985209  14.87807       1.261557  -1.183880      3.158953  
1 1 1 2  1  24 f 11.01986 3.009951  1.322607       0.9555209 1.838567       1.385367  0.8544369      1.319649  2.183977       6.019902  
1 1 1 2  2  0  o 180.9931 2.687037  321.3253       8.908398  345.0992       16.52820  311.5911       10.57606  0.000000       0.000000  
1 1 1 2  2  1  o 110.2227 1.019341  120.9456       2.210139  118.5177       2.863159  124.5253       3.476613  -2.723038      2.038683  
1 1 1 2  2  2  o 317.6572 2.689272  1009.724       17.08492  1005.054       24.06045  1014.474       24.26430  -1.480835      5.378544  
1 1 1 2  2  3  o 162.7838 1.385716  265.0290       4.511385  264.1741       6.360763  265.8943       6.399538  -0.5281677     2.771431  
1 1 1 2  2  4  o 139.2277 1.227838  194.6751       3.333494  190.2210       5.313407  197.5661       4.280746  -2.642792      2.455677  
1 1 1 2  2  5  o 203.7404 1.734159  415.2671       7.065517  411.1375       9.899511  419.5550       10.08744  -2.063599      3.468318  
1 1 1 2  2  6  o 219.3196 2.154175  480.9957       9.443545  471.4408       13.08840  491.3714       13.63899  -4.537292      4.308350  
1 1 1 2  2  7  o 169.5478 1.575636  285.6550       5.243861  297.1731       8.323727  278.0754       6.752301  5.622101       3.151272  
1 1 1 2  2  8  o 227.1428 2.509255  514.5132       11.11081  508.7420       14.16725  523.7346       17.90817  -3.272614      5.018509  
1 1 1 2  2  9  o 232.2201 2.143424  539.9304       9.866495  542.5496       13.12527  536.5273       14.96090  1.311935       4.286848  
1 1 1 2  2  10 o 98.01295 0.9231753 96.00601       1.808535  98.01417       2.613590  94.16100       2.505162  1.965103       1.846351  
1 1 1 2  2  11 o 222.2913 2.063605  492.3524       9.023592  482.2510       11.68909  507.2503       14.19556  -5.576599      4.127210  
1 1 1 2  2  12 o 148.4337 1.506669  220.5108       4.472753  218.9888       6.310647  222.0472       6.340313  -1.029633      3.013339  
1 1 1 2  2  13 o 165.0521 1.568094  272.7234       5.120118  273.0491       7.841954  272.4814       6.759835  0.1413269      3.136188  
1 1 1 2  2  14 o 24.21885 1.417290  5.902631       0.6829606 5.488487       0.9944125 6.272393       0.9396192 -1.620335      2.834579  
1 1 1 2  2  15 o 85.61445 0.9382307 73.23833       1.605020  70.76774       2.212054  75.98507       2.332407  -3.043594      1.876461  
1 1 1 2  2  16 o 55.94107 1.044270  31.21291       1.137623  31.84208       1.839608  30.82330       1.447617  0.8951797      2.088540  
1 1 1 2  2  17 o 44.96733 1.055118  20.25127       0.9480779 21.47265       1.357080  19.08684       1.325063  2.650612       2.110236  
1 1 1 2  2  18 o 80.63660 1.099371  65.77546       1.749314  68.90327       2.326343  61.70558       2.653651  4.500557       2.198742  
1 1 1 2  2  19 o 18.88283 2.128891  3.735377       0.7740787 3.143642       1.116682  4.282732       1.073991  -3.300924      4.257781  
1 1 1 2  2  20 o 33.77526 1.134404  10.97455       0.7282371 13.16676       1.286724  9.941443       0.8833206 4.677067       2.268807  
1 1 1 2  2  21 o 45.03278 1.289647  20.64831       1.046777  20.31624       1.954436  20.78188       1.239555  -0.7707558     2.579293  
1 1 1 2  2  22 f 22.17367 1.842550  4.960160       0.7687317 5.512158       1.365458  4.704021       0.9301415 1.515810       3.685100  
1 1 1 2  2  23 o 32.58962 1.228318  10.56926       0.7791693 12.46163       1.292917  9.490041       0.9763907 4.299829       2.456635  
1 1 1 2  2  24 o 22.05977 1.955232  5.181424       0.8032296 3.455221       1.038729  7.748865       1.266796  -9.534245      3.910465  
1 1 1 2  3  0  o 141.7071 2.103575  198.8891       5.531469  207.0983       9.955072  195.2226       6.653032  0.000000       0.000000  
1 1 1 2  3  1  o 112.0460 0.9615232 125.3323       2.151790  121.5258       2.951890  129.6484       3.143304  -3.624031      1.923046  
1 1 1 2  3  2  o 77.89285 0.7035087 61.07144       1.073325  62.74241       1.394625  58.64381       1.680990  2.631584       1.407017  
1 1 1 2  3  3  o 264.7153 2.245150  701.0304       11.88598  705.7240       16.90726  696.4440       16.71304  1.751343       4.490299  
1 1 1 2  3  4  o 300.3192 3.018784  898.8946       16.27616  911.9587       30.88367  893.8705       19.15166  2.866699       6.037568  
1 1 1 2  3  5  o 308.4213 2.698452  955.2283       16.18691  941.0055       26.03631  964.1893       20.66630  -3.855835      5.396904  
1 1 1 2  3  6  o 160.1605 1.940137  256.6210       6.213954  258.9580       8.869069  254.3678       8.708837  1.431366       3.880273  
1 1 1 2  3  7  o 263.7739 2.243808  695.7497       11.83188  709.0421       17.04296  683.3828       16.43900  4.858551       4.487616  
1 1 1 2  3  8  o 386.9010 4.043731  1484.483       29.11647  1460.109       35.09135  1538.345       52.16511  -9.910156      8.087461  
1 1 1 2  3  9  o 299.4368 2.548149  897.2702       15.26007  895.5140       21.52997  899.0431       21.63238  -0.5882263     5.096298  
1 1 1 2  3  10 o 247.5334 2.286047  613.3223       11.20712  613.8515       14.85232  612.6224       17.07831  0.2767944      4.572095  
1 1 1 2  3  11 o 176.3883 1.530836  311.2852       5.400061  308.6877       7.582657  313.9583       7.692198  -1.492508      3.061673  
1 1 1 2  3  12 o 54.79207 0.9195451 29.31228       0.9776794 32.92910       1.626817  27.26744       1.223221  5.161442       1.839090  
1 1 1 2  3  13 o 23.16595 1.470056  5.180821       0.6643707 6.249751       1.097133  4.561898       0.8348401 3.635868       2.940111  
1 1 1 2  3  14 o 13.67803 2.357532  1.995327       0.6575155 2.645236       0.9002604 1.252293       0.9626015 4.620794       4.715064  
1 1 1 2  3  15 o 27.67033 1.343014  7.836074       0.7240371 5.922000       1.039580  9.639163       1.008991  -6.718092      2.686027  
1 1 1 2  3  16 o 14.60578 2.725449  1.811126       0.8340632 3.765567       1.439649  0.8236889      1.023293  8.745639       5.450898  
1 1 1 2  3  17 o 124.6507 1.277361  156.0325       3.168193  157.7488       4.282822  153.9583       4.708348  1.556023       2.554722  
1 1 1 2  3  18 o 110.9165 1.177997  123.7297       2.605059  120.7824       3.811734  126.3128       3.568502  -2.523163      2.355994  
1 1 1 2  3  19 o 71.69668 1.012954  51.64492       1.448997  51.80345       2.125754  51.50733       1.980347  0.1817322      2.025909  
1 1 1 2  3  20 o 69.16827 0.9421670 48.07540       1.272170  48.21328       2.034536  47.98688       1.630162  0.8248138E-01  1.884334  
1 1 1 2  3  21 o 49.74022 1.042132  25.06082       1.028424  24.03923       1.536900  25.88915       1.383923  -1.904579      2.084263  
1 1 1 2  3  22 o 52.13983 0.9663193 27.49878       1.001708  27.83717       1.350207  27.08452       1.493930  0.7746849      1.932639  
1 1 1 2  3  23 o 9.496636 2.424993  0.6978750      0.6613976 1.597199       0.9473692 -0.1572423     0.9237915 4.595272       4.849985  
1 1 1 2  3  24 o 23.26931 1.724500  5.723809       0.7920250 5.013581       1.024027  6.781249       1.249512  -3.415342      3.448999  
1 1 1 2  4  0  o 213.5170 2.565381  456.2648       10.94481  463.1540       15.70815  449.7646       15.25825  0.000000       0.000000  
1 1 1 2  4  1  o 205.2131 1.744244  421.1534       7.157554  425.9565       10.23945  416.5639       10.00910  2.287170       3.488487  
1 1 1 2  4  2  o 156.6696 1.338359  245.4905       4.193538  244.7381       5.910971  246.2529       5.950341  -0.4832611     2.676718  
1 1 1 2  4  3  o 367.3400 3.218068  1349.092       22.84752  1344.375       28.79431  1357.108       37.54080  -1.637970      6.436135  
1 1 1 2  4  4  o 182.0109 2.194582  327.8023       7.919602  305.3179       10.40743  358.7320       12.20648  -14.65524      4.389164  
1 1 1 2  4  5  o 218.0775 1.916582  477.0534       8.124362  471.0399       13.09662  480.8152       10.35831  -2.276794      3.833164  
1 1 1 2  4  6  o 97.80577 1.233130  94.64360       2.393355  87.88282       3.154878  103.8095       3.673423  -8.138756      2.466259  
1 1 1 2  4  7  o 76.76439 0.8625650 58.77945       1.320360  57.06936       1.788993  60.82542       1.956813  -2.445930      1.725130  
1 1 1 2  4  8  o 354.7188 3.889027  1258.880       26.99600  1255.200       34.73535  1264.493       42.90087  -1.216705      7.778055  
1 1 1 2  4  9  o 288.4837 2.529615  835.8948       14.21560  819.1768       22.73908  846.6205       18.21356  -4.802917      5.059229  
1 1 1 2  4  10 o 263.4007 2.251885  690.6765       11.81268  656.6013       15.85122  733.2359       17.71505  -14.52228      4.503770  
1 1 1 2  4  11 o 201.6204 1.739818  406.4085       7.009615  416.6071       10.16961  397.1777       9.675056  4.810257       3.479635  
1 1 1 2  4  12 o 127.6508 1.477718  163.4560       3.718539  165.3317       4.879065  160.8567       5.743717  1.770470       2.955435  
1 1 1 2  4  13 o 131.8591 1.234426  174.9909       3.169562  169.5980       5.059959  178.4733       4.066141  -3.388138      2.468853  
1 1 1 2  4  14 f 78.33659 0.8533186 61.32910       1.335028  62.62837       1.948625  60.17979       1.832729  1.560371       1.706637  
1 1 1 2  4  15 o 95.57465 0.9755238 91.96069       1.831142  88.44160       2.845100  94.44933       2.392551  -3.156494      1.951048  
1 1 1 2  4  16 o 88.14966 1.115951  74.56754       1.713770  84.45528       3.497284  71.44291       1.965995  7.314980       2.231902  
1 1 1 2  4  17 o 48.32892 1.014782  22.91232       0.9637358 25.97580       1.545392  20.96275       1.232827  5.165367       2.029564  
1 1 1 2  4  18 o 73.33231 0.9692805 53.91140       1.416462  54.10773       2.095757  53.74629       1.921877  0.2286987      1.938561  
1 1 1 2  4  19 o 45.95793 1.019164  21.18265       0.9357330 20.10163       1.288578  22.38868       1.361046  -2.475288      2.038327  
1 1 1 2  4  20 o 52.54411 0.9468012 27.72361       0.9596842 27.90007       1.583751  27.62122       1.206395  0.1886368      1.893602  
1 1 1 2  4  21 o 43.52422 0.9887936 19.15233       0.8547238 19.64852       1.151853  18.54434       1.275035  1.303036       1.977587  
1 1 1 2  4  22 o 8.867661 2.257533  0.1809594      0.6204309 -0.9032291     0.8283302 1.566572       0.9364228 -6.253589      4.515065  
1 1 1 2  4  23 o 8.064009 2.406222  0.2525098      0.6656737 0.3184195      0.9450316 0.1876023      0.9378195 0.3048363      4.812444  
1 1 1 2  4  24 o 9.035302 2.586851  0.5793411      0.7218433 0.1873933      0.9229494 1.196757       1.158384  -2.740949      5.173702  
1 1 1 2  5  0  o 121.3026 1.478064  147.2861       3.583421  147.8550       5.085729  146.7251       5.049906  0.000000       0.000000  
1 1 1 2  5  1  o 177.4788 1.514228  315.0466       5.374768  313.6536       7.572891  316.4605       7.629564  -0.7904816     3.028457  
1 1 1 2  5  2  o 270.2145 2.293370  729.7585       12.38404  748.6002       17.95424  712.6591       17.10403  6.644043       4.586740  
1 1 1 2  5  3  o 269.8995 2.289664  728.6973       12.35761  721.1680       17.29145  736.5573       17.66722  -2.847870      4.579329  
1 1 1 2  5  4  o 31.06953 0.5932841 9.574032       0.3399491 9.450744       0.4069535 9.858726       0.6184076 -0.6559200     1.186568  
1 1 1 2  5  5  o 178.9621 1.580841  320.2711       5.474555  319.8156       6.915020  321.0361       8.961128  -0.3196106     3.161683  
1 1 1 2  5  6  o 397.4825 4.112697  1596.777       31.24926  1537.634       52.06944  1630.071       39.06691  -11.87943      8.225394  
1 1 1 2  5  7  o 162.6338 1.518352  264.8395       4.899473  262.3065       7.392279  266.8239       6.542993  -1.393555      3.036705  
1 1 1 2  5  8  o 469.8699 4.309134  2206.696       39.97394  2239.385       61.89046  2183.300       52.36048  5.845459       8.618268  
1 1 1 2  5  9  o 328.5598 2.880653  1083.445       18.41254  1068.124       29.60430  1093.111       23.51380  -3.875793      5.761306  
1 1 1 2  5  10 o 122.4296 1.562192  0.000000       0.000000  ?              ?         149.9230       3.825172  ?              ?         
1 1 1 2  5  11 o 67.15820 0.8313074 45.14519       1.114312  44.53836       1.622590  45.68682       1.532975  -0.8557663     1.662615  
1 1 1 2  5  12 o 128.0933 1.412981  163.7677       3.423194  165.5671       5.908469  162.8584       4.199908  1.023613       2.825962  
1 1 1 2  5  13 o 138.9204 1.472827  189.3906       3.620499  201.4219       7.110799  185.1801       4.206582  5.766357       2.945653  
1 1 1 2  5  14 o 79.17438 0.9042108 62.84510       1.428993  59.42572       2.045066  66.10749       1.997572  -4.220734      1.808422  
1 1 1 2  5  15 o 82.27550 0.9102392 66.95100       1.442666  70.63916       2.415888  64.90689       1.798558  3.466011       1.820478  
1 1 1 2  5  16 o 58.08435 0.9308884 33.91133       1.073769  32.45965       1.597036  35.10897       1.450585  -2.286079      1.861777  
1 1 1 2  5  17 o 47.27708 0.9431698 21.85581       0.8615044 24.40882       1.448271  20.45773       1.071741  4.154598       1.886340  
1 1 1 2  5  18 o 103.3355 1.235995  104.2630       2.262426  113.7743       4.460186  100.9680       2.625235  5.961617       2.471991  
1 1 1 2  5  19 o 31.06456 1.165079  9.731702       0.6890681 9.765680       0.8537021 9.668181       1.167235  0.2220287      2.330158  
1 1 1 2  5  20 o 41.78905 0.9357815 17.57819       0.7812015 16.83837       1.114415  18.29297       1.095402  -1.744316      1.871563  
1 1 1 2  5  21 o 38.21458 1.023907  14.68436       0.7776500 14.34905       1.037845  15.11361       1.174274  -0.9600029     2.047813  
1 1 1 2  5  22 o 37.38528 1.028451  14.13797       0.7689605 14.03128       1.087635  14.24460       1.087314  -0.2854233     2.056901  
1 1 1 2  5  23 o 14.66894 2.389813  2.518219       0.6903694 2.016208       1.023256  2.937653       0.9353187 -3.139075      4.779627  
1 1 1 2  5  24 o 21.41179 1.935754  5.034052       0.8254145 4.482386       1.116441  5.699130       1.225839  -2.628498      3.871509  
1 1 1 2  6  0  o 186.4742 2.250062  348.0970       8.385831  349.9423       11.91877  346.2880       11.80082  0.000000       0.000000  
1 1 1 2  6  1  o 465.9825 3.946551  2174.265       36.77635  2155.323       51.54683  2193.904       52.48510  -4.127502      7.893102  
1 1 1 2  6  2  o 250.6340 2.128633  628.3771       10.66922  633.3501       15.21007  623.5598       14.96992  1.951370       4.257267  
1 1 1 2  6  3  o 221.2504 2.032719  489.8692       8.905797  490.6554       11.79926  488.8285       13.57627  0.4269714      4.065437  
1 1 1 2  6  4  f 230.3497 2.117062  531.9794       9.684304  539.4941       12.99759  522.6013       14.51986  3.686111       4.234124  
1 1 1 2  6  5  o 172.9655 1.712893  299.2901       5.924804  301.6749       8.452470  296.9865       8.307294  1.353729       3.425786  
1 1 1 2  6  6  o 155.3401 1.553932  241.3543       4.827423  243.4489       6.876764  239.3192       6.778316  1.328537       3.107865  
1 1 1 2  6  7  o 255.3189 2.348167  653.3671       11.90204  661.9728       15.95106  642.5576       17.87719  3.817764       4.696334  
1 1 1 2  6  8  o 120.5354 1.171388  144.9072       2.792441  147.9281       4.301240  142.7062       3.671354  2.163818       2.342775  
1 1 1 2  6  9  o 241.8695 2.242637  580.9608       10.63306  607.0760       16.96412  564.0613       13.64642  8.859894       4.485275  
1 1 1 2  6  10 o 225.9843 2.374441  509.9525       10.10015  515.0850       17.59692  507.4309       12.33420  1.608612       4.748882  
1 1 1 2  6  11 o 152.2912 1.384408  231.3965       4.069382  234.5447       6.720993  229.5743       5.113153  1.609619       2.768816  
1 1 1 2  6  12 o 270.7657 2.826996  741.2651       14.62639  715.7549       24.40865  755.5571       18.26981  -7.596741      5.653993  
1 1 1 2  6  13 o 159.9964 1.632654  256.3725       5.224001  257.1711       7.350618  255.5576       7.425661  0.5066223      3.265308  
1 1 1 2  6  14 o 71.34857 0.8886133 51.06121       1.264490  48.75135       1.831305  53.16597       1.748111  -3.095558      1.777227  
1 1 1 2  6  15 o 100.2333 1.041372  100.8630       2.069464  98.19557       3.117604  102.9642       2.766995  -2.390419      2.082744  
1 1 1 2  6  16 o 134.8872 1.234115  182.2867       3.328782  182.8459       4.669498  181.7088       4.746667  0.4254913      2.468231  
1 1 1 2  6  17 o 82.29761 1.051095  67.59785       1.725671  64.06550       2.340737  71.80362       2.554136  -4.685364      2.102189  
1 1 1 2  6  18 o 101.0863 1.057633  102.7827       2.127826  99.69632       3.141772  105.3980       2.892109  -2.848198      2.115266  
1 1 1 2  6  19 o 38.22674 0.9000887 14.66836       0.6877602 14.50831       0.9545471 14.84115       0.9918021 -0.4292030     1.800177  
1 1 1 2  6  20 o 50.39630 0.8965172 25.50926       0.9004917 25.73626       1.332680  25.31854       1.221540  0.3921738      1.793034  
1 1 1 2  6  21 o 13.52872 2.221258  1.996076       0.5931513 2.349978       0.8231254 1.613792       0.8554962 2.628225       4.442516  
1 1 1 2  6  22 o 28.29280 1.213157  8.131546       0.6860983 7.899081       0.9513083 8.383536       0.9904544 -0.8369541     2.426314  
1 1 1 2  6  23 o 17.95455 2.063088  3.468522       0.7175783 4.233757       1.103860  2.908487       0.9443303 3.696878       4.126176  
1 1 1 2  6  24 o 25.15049 1.672845  6.768384       0.8372692 6.232039       1.117985  7.453406       1.263473  -2.183537      3.345690  
1 1 1 2  7  0  o 37.87359 0.9702950 14.39985       0.7328225 14.51711       1.043232  14.28563       1.029637  0.000000       0.000000  
1 1 1 2  7  1  o 269.2367 2.287072  725.1508       12.31412  731.7692       17.56144  718.7491       17.27176  2.415710       4.574143  
1 1 1 2  7  2  o 302.7605 2.569070  917.1157       15.55447  925.7117       22.20130  908.8282       21.79891  2.784576       5.138141  
1 1 1 2  7  3  o 113.3059 1.070998  128.4165       2.403207  128.5100       3.184129  128.2929       3.663326  0.9815979E-01  2.141996  
1 1 1 2  7  4  o 260.5916 2.394282  679.7399       12.34741  680.3636       18.88390  679.2741       16.31925  0.1679688      4.788564  
1 1 1 2  7  5  o 155.6554 1.550999  242.3349       4.827835  239.6029       6.763120  245.1737       6.893937  -1.788315      3.101998  
1 1 1 2  7  6  o 473.0779 6.178120  2288.241       44.74419  2311.100       49.49908  2186.112       104.6257  14.55731       12.35624  
1 1 1 2  7  7  o 108.3112 1.192888  118.2051       2.472752  120.4323       3.093704  114.2652       4.114726  2.850792       2.385776  
1 1 1 2  7  8  o 335.8773 2.855498  1128.888       19.18050  1136.854       27.32684  1121.153       26.92820  2.333618       5.710996  
1 1 1 2  7  9  o 245.1670 2.096682  601.3152       10.27953  606.8191       14.67372  596.0110       14.40491  2.201691       4.193365  
1 1 1 2  7  10 o 102.6782 1.030891  105.7300       2.107699  108.8281       2.874677  102.1283       3.099474  3.264221       2.061782  
1 1 1 2  7  11 o 85.21497 0.9222080 72.78336       1.555419  71.57239       2.366582  73.70425       2.063769  -1.253830      1.844416  
1 1 1 2  7  12 o 102.2993 1.041687  104.4955       2.101873  105.9123       3.264561  103.4923       2.746988  1.174866       2.083374  
1 1 1 2  7  13 o 173.8287 1.638832  300.7327       5.594381  293.0063       7.212011  312.4055       8.864525  -5.525513      3.277665  
1 1 1 2  7  14 o 54.39907 0.8215914 29.48192       0.8831771 28.82782       1.156662  30.39648       1.367695  -1.437412      1.643183  
1 1 1 2  7  15 o 170.2993 1.491554  290.5879       5.079880  288.4063       7.134721  292.8309       7.234386  -1.294220      2.983108  
1 1 1 2  7  16 o 122.6042 1.217679  148.9933       2.921476  143.2112       3.729461  158.1768       4.700079  -6.050468      2.435357  
1 1 1 2  7  17 o 67.51630 0.8156642 45.64570       1.101199  45.85424       1.574480  45.44599       1.540729  0.3002396      1.631328  
1 1 1 2  7  18 o 86.89635 0.9638211 75.85081       1.666638  74.39841       2.471382  77.06228       2.257127  -1.555107      1.927642  
1 1 1 2  7  19 o 29.11622 1.030699  8.532599       0.5992263 8.692665       0.8289060 8.357377       0.8672625 0.5830135      2.061398  
1 1 1 2  7  20 o 38.66283 0.9758239 15.11851       0.7500279 14.11993       1.099261  15.98829       1.025931  -2.432484      1.951648  
1 1 1 2  7  21 o 28.21235 1.255882  8.068423       0.7041472 6.909889       0.9762595 9.324667       1.016594  -4.263519      2.511763  
1 1 1 2  7  22 o 44.56486 1.118614  20.29259       0.9791384 20.86932       1.280950  19.48201       1.518607  1.673157       2.237228  
1 1 1 2  7  23 o 16.27537 2.652372  3.109290       0.8368934 2.945663       1.093031  3.341127       1.301055  -0.7708330     5.304745  
1 1 1 2  7  24 o 8.447102 2.545738  0.3104260      0.7791841 0.7520348      1.046643  -0.2386102     1.167025  1.510201       5.091476  
1 1 1 2  8  0  o 41.00083 1.076525  16.72705       0.8760345 18.71019       1.315392  15.14635       1.174367  0.000000       0.000000  
1 1 1 2  8  1  o 121.2296 1.057580  146.9559       2.563859  148.5544       3.662249  145.4195       3.590505  1.292648       2.115161  
1 1 1 2  8  2  o 416.7970 4.325377  1744.617       34.10235  1752.280       41.95402  1729.693       58.54757  3.000122       8.650754  
1 1 1 2  8  3  o 160.0272 1.486630  256.4567       4.717703  253.9924       7.134719  258.3713       6.288748  -1.375259      2.973260  
1 1 1 2  8  4  o 275.7520 2.536218  760.5186       13.82242  766.5653       21.28165  756.1064       18.17874  1.843384       5.072435  
1 1 1 2  8  5  o 152.6964 1.425965  233.7518       4.325562  228.5126       6.465183  237.9977       5.820083  -3.110565      2.851931  
1 1 1 2  8  6  o 215.9937 2.177373  469.8747       8.586714  474.4450       10.25896  459.1818       15.69186  3.579422       4.354747  
1 1 1 2  8  7  o 312.6297 3.164317  968.0694       17.61351  956.2037       20.58631  1000.485       34.02597  -6.955902      6.328635  
1 1 1 2  8  8  f 151.9970 1.547979  230.7038       4.700234  238.6816       6.852011  223.6135       6.459602  4.954590       3.095959  
1 1 1 2  8  9  o 87.92201 1.194207  77.31210       2.099438  77.54880       3.004274  77.08618       2.935043  0.2626953      2.388415  
1 1 1 2  8  10 o 181.1275 1.692642  328.5968       6.079462  330.7375       8.100871  325.8365       9.198701  1.367630       3.385285  
1 1 1 2  8  11 o 78.16078 1.047739  60.04678       1.596178  56.65817       2.016293  65.73546       2.612455  -5.799782      2.095478  
1 1 1 2  8  12 o 93.35197 1.082549  88.66749       1.967035  80.07842       3.077144  94.60241       2.557889  -7.787552      2.165098  
1 1 1 2  8  13 o 37.77552 0.8558487 14.27760       0.6465396 14.12056       0.9171640 14.43273       0.9115523 -0.4133034     1.711697  
1 1 1 2  8  14 o 69.61626 0.7890058 48.43933       1.097737  49.64926       1.589872  47.33702       1.517524  1.659233       1.578012  
1 1 1 2  8  15 o 67.10028 0.9585502 44.28954       1.274541  39.35469       1.670772  51.15867       1.971203  -8.786201      1.917100  
1 1 1 2  8  16 o 61.90705 0.8600101 38.45159       1.060002  39.39098       1.442595  37.34921       1.562740  1.654022       1.720020  
1 1 1 2  8  17 o 106.5160 1.181381  113.8117       2.516048  113.1293       3.513288  114.5302       3.604940  -0.6485977     2.362762  
1 1 1 2  8  18 o 80.43745 0.9291188 64.43365       1.473318  67.45686       2.308410  62.35570       1.913802  3.129425       1.858238  
1 1 1 2  8  19 o 15.97448 1.711987  2.596899       0.5451792 2.820417       0.7682750 2.370182       0.7737539 1.410944       3.423975  
1 1 1 2  8  20 o 27.65342 1.215073  7.664021       0.6619139 8.049236       1.040132  7.401846       0.8580904 1.118797       2.430147  
1 1 1 2  8  21 o 42.29549 1.109016  17.56972       0.8946587 11.23410       1.167483  26.58340       1.392538  -18.06110      2.218033  
1 1 1 2  8  22 o 53.80269 1.066976  29.18557       1.129975  28.18064       1.462312  30.67497       1.780238  -2.148735      2.133953  
1 1 1 2  8  23 o 10.04639 2.694325  0.9875550      0.7716810 1.378454       1.007950  0.4339452      1.199523  1.938687       5.388650  
1 1 1 2  8  24 o 33.32240 1.463954  10.84895       0.9318525 8.804400       1.131057  15.16924       1.644152  -8.811201      2.927907  
1 1 1 2  9  0  o 45.40195 1.096879  20.69002       0.9932595 20.49944       1.414896  20.87519       1.394684  0.000000       0.000000  
1 1 1 2  9  1  o 236.8380 2.603022  562.3773       12.11367  566.8200       15.76008  555.9631       18.93667  2.326996       5.206044  
1 1 1 2  9  2  o 26.12687 0.7559492 6.827999       0.3945564 7.260390       0.5615342 6.406363       0.5545061 1.634356       1.511898  
1 1 1 2  9  3  o 163.5750 1.520893  268.0257       4.934527  264.9728       7.451793  270.4098       6.585225  -1.670685      3.041786  
1 1 1 2  9  4  o 106.3453 1.233383  111.4923       2.524825  119.0229       4.246266  107.3737       3.140241  5.468712       2.466766  
1 1 1 2  9  5  o 297.3142 2.732053  884.6327       16.07649  883.4705       21.25123  886.1878       24.58190  -0.4145813     5.464107  
1 1 1 2  9  6  o 527.4977 5.294343  2798.590       50.71328  2809.535       60.27530  2772.066       93.83116  4.199280       10.58869  
1 1 1 2  9  7  o 237.0062 2.628461  558.0165       12.10489  545.5544       15.31285  578.7777       19.76455  -6.974655      5.256922  
1 1 1 2  9  8  o 63.66972 0.8909060 39.60298       1.098298  44.19973       1.836118  37.04193       1.370518  5.619457       1.781812  
1 1 1 2  9  9  o 119.8724 1.402887  144.5476       3.337440  136.0642       4.950944  151.6133       4.518366  -6.488693      2.805773  
1 1 1 2  9  10 o 110.3896 1.110929  121.6841       2.422064  120.5832       3.176744  123.2127       3.743162  -1.185760      2.221858  
1 1 1 2  9  11 o 106.3993 1.067238  113.0812       2.246252  112.1130       2.959485  114.3969       3.449988  -1.066948      2.134476  
1 1 1 2  9  12 o 112.8339 1.266809  129.0125       2.751477  121.2719       4.482921  133.6909       3.485152  -5.522934      2.533618  
1 1 1 2  9  13 f 196.5480 1.703090  386.0954       6.682053  401.7734       9.822074  372.5877       9.116970  7.396851       3.406181  
1 1 1 2  9  14 o 155.8749 1.377890  243.2962       4.295322  241.6376       6.035310  244.9985       6.114470  -1.075180      2.755780  
1 1 1 2  9  15 o 86.55877 0.9666053 74.84603       1.650903  75.86886       2.560698  74.11850       2.159656  0.9980316      1.933211  
1 1 1 2  9  16 o 88.73750 0.9742200 78.69536       1.713352  77.69887       2.268427  80.01888       2.614308  -1.289558      1.948440  
1 1 1 2  9  17 o 50.06133 0.9583907 25.14374       0.9583978 25.72226       1.332675  24.52405       1.379285  1.200726       1.916781  
1 1 1 2  9  18 o 79.40338 0.9961646 63.24313       1.578270  62.98407       2.157330  63.54145       2.315026  -0.3320389     1.992329  
1 1 1 2  9  19 o 49.04960 0.8734252 24.16084       0.8493890 24.18764       1.129737  24.12597       1.288245  0.8898163E-01  1.746850  
1 1 1 2  9  20 o 47.56622 0.9264142 22.98361       0.8696101 21.13388       1.309457  24.44305       1.163134  -3.511257      1.852828  
1 1 1 2  9  21 o 25.06805 1.558371  6.402323       0.7382080 6.581208       1.278394  6.312834       0.9041941 0.3191013      3.116742  
1 1 1 2  9  22 o 40.95096 1.000310  17.01766       0.8185821 16.64500       1.130235  17.42879       1.187162  -0.9252243     2.000619  
1 1 1 2  9  23 o 10.99461 2.585602  1.383236       0.6656398 1.477614       0.9348052 1.286165       0.9480481 0.5972824      5.171205  
1 1 1 2  9  24 o 11.85918 2.840897  1.743513       0.7973639 1.841942       1.216844  1.669447       1.055562  0.4433928      5.681793  
1 1 1 2  10 0  f 305.0112 3.672513  931.5850       22.37992  947.5599       32.19551  916.6486       31.13130  0.000000       0.000000  
1 1 1 2  10 1  o 17.10429 1.017424  2.957277       0.3398798 2.771852       0.5329427 3.084391       0.4412590 -0.9141350     2.034847  
1 1 1 2  10 2  o 190.1056 1.765164  359.6797       6.595968  371.8244       10.41026  351.5341       8.525682  5.315079       3.530328  
1 1 1 2  10 3  o 353.5764 3.670644  1259.462       24.65663  1233.593       41.82210  1273.244       30.52603  -5.880463      7.341288  
1 1 1 2  10 4  o 287.4113 2.641013  826.8487       15.02517  826.3587       19.87310  827.5025       22.95645  -0.1552124     5.282026  
1 1 1 2  10 5  o 80.64804 1.104236  63.68850       1.753493  57.82318       2.252817  72.70364       2.792972  -9.223015      2.208473  
1 1 1 2  10 6  o 25.15597 1.410665  6.383120       0.6759638 4.038411       0.9200796 9.132884       0.9963882 -10.12542      2.821329  
1 1 1 2  10 7  o 218.4427 2.167418  477.3300       9.468716  473.8118       13.31439  480.9302       13.46852  -1.628311      4.334836  
1 1 1 2  10 8  o 226.1414 2.007010  510.7589       8.777333  508.2058       11.06708  515.0876       14.41062  -1.494019      4.014021  
1 1 1 2  10 9  o 274.1329 2.532366  752.1183       13.73677  753.2469       21.02011  751.2770       18.14820  0.3181763      5.064732  
1 1 1 2  10 10 o 27.58556 1.231009  7.598935       0.6783524 7.346688       0.9319894 7.883124       0.9892384 -0.9716854     2.462017  
1 1 1 2  10 11 o 148.1075 1.606091  218.7307       4.469448  221.9915       7.823783  217.1511       5.445458  1.585602       3.212183  
1 1 1 2  10 12 o 139.6630 1.439664  195.2255       4.020749  193.8812       5.629638  196.6252       5.744496  -0.9795685     2.879329  
1 1 1 2  10 13 f 83.36581 0.8605818 69.38007       1.432746  72.30004       2.096874  66.82304       1.962237  3.282051       1.721164  
1 1 1 2  10 14 o 104.5494 1.161753  108.8528       2.421685  102.4464       3.270980  116.6237       3.602536  -6.769638      2.323506  
1 1 1 2  10 15 o 110.3700 1.129678  121.8124       2.463757  122.9582       3.797475  120.9795       3.237658  0.8747101      2.259356  
1 1 1 2  10 16 o 92.31413 1.020803  85.48544       1.862883  84.55813       2.852119  86.17541       2.460155  -0.8991394     2.041606  
1 1 1 2  10 17 o 27.53469 1.235248  7.731032       0.6688327 6.757418       1.000579  8.517447       0.8992574 -3.207657      2.470496  
1 1 1 2  10 18 o 67.75475 0.8910787 45.23835       1.172486  42.88348       1.473198  49.30740       1.936530  -4.688011      1.782157  
1 1 1 2  10 19 o 81.46460 0.9436533 66.91123       1.528300  68.83265       2.069444  64.60611       2.266681  2.631676       1.887307  
1 1 1 2  10 20 o 26.74581 1.144291  7.223123       0.6119700 7.293766       0.8593693 7.150443       0.8716745 0.2715778      2.288582  
1 1 1 2  10 21 o 49.83516 0.8742173 25.03401       0.8709071 26.10826       1.239526  23.98664       1.223920  2.123531       1.748435  
1 1 1 2  10 22 o 50.78224 0.9294094 26.13502       0.9435054 25.27736       1.310886  27.05686       1.359054  -1.725716      1.858819  
1 1 1 2  10 23 o 11.46099 2.625409  1.532534       0.6874210 1.590532       0.9498111 1.468736       0.9961646 0.3791609      5.250818  
1 1 1 2  10 24 o 25.07637 1.601535  6.780612       0.8020232 6.751901       1.104438  6.812643       1.166576  -0.1338768E-01 3.203069  
1 1 1 2  11 0  o 129.7305 1.613146  168.3380       4.179477  172.4191       6.053123  164.6197       5.777830  0.000000       0.000000  
1 1 1 2  11 1  o 269.9753 2.816890  731.1472       14.37262  726.3568       24.73518  733.5888       17.65980  -1.471832      5.633780  
1 1 1 2  11 2  o 285.1090 3.132164  816.0685       17.55704  805.1328       27.37929  823.7057       22.88069  -3.351807      6.264327  
1 1 1 2  11 3  o 257.9899 2.377429  664.9516       12.10916  658.4746       15.86372  673.9944       18.74438  -2.967804      4.754858  
1 1 1 2  11 4  o 619.8134 5.262825  3855.248       65.23015  3817.353       91.32849  3894.710       93.19865  -6.193726      10.52565  
1 1 1 2  11 5  o 754.5677 6.920265  5736.222       103.7328  5836.224       139.5548  5612.750       155.0695  15.22815       13.84053  
1 1 1 2  11 6  o 426.4713 3.628226  1820.352       30.93986  1797.494       43.21099  1844.398       44.32126  -5.486572      7.256451  
1 1 1 2  11 7  o 268.8431 2.819545  718.5107       14.15523  736.6376       25.13577  710.0922       17.12974  4.863556       5.639091  
1 1 1 2  11 8  o 325.2583 3.196599  1059.190       20.79316  1066.410       29.60227  1052.159       29.21351  2.185272       6.393197  
1 1 1 2  11 9  o 204.2664 2.294454  415.2444       9.107118  407.7048       11.53176  427.7408       14.84601  -4.853943      4.588907  
1 1 1 2  11 10 o 171.2203 1.729002  293.2489       5.918893  287.6016       8.243289  299.2589       8.503952  -3.399872      3.458004  
1 1 1 2  11 11 o 204.1522 2.788234  422.0327       9.227402  411.2065       20.12686  424.9138       10.38287  -3.710419      5.576468  
1 1 1 2  11 12 o 89.39786 0.9789783 80.19046       1.739111  82.18463       2.347293  77.76359       2.589448  2.476952       1.957957  
1 1 1 2  11 13 o 47.91874 1.103420  23.06149       1.046020  23.55381       1.389350  22.41724       1.589327  1.191490       2.206839  
1 1 1 2  11 14 f 127.0070 1.162859  161.4802       2.953783  162.3793       4.190949  160.5927       4.163743  0.7024231      2.325719  
1 1 1 2  11 15 o 61.87878 0.8377753 38.32387       1.036148  38.52533       1.441875  38.10874       1.489977  0.3380394      1.675551  
1 1 1 2  11 16 o 42.43523 0.9532370 17.74972       0.7867078 16.87533       0.9913075 19.23733       1.293009  -2.764866      1.906474  
1 1 1 2  11 17 o 69.61330 0.8304799 48.50721       1.155481  47.36855       1.599055  49.75144       1.671548  -1.705627      1.660960  
1 1 1 2  11 18 o 17.36562 1.620023  3.102136       0.5508723 3.694182       0.7628016 2.456810       0.7963854 3.569645       3.240046  
1 1 1 2  11 19 o 27.41465 1.157286  7.608229       0.6273792 7.803474       0.8335660 7.353109       0.9528458 0.8509045      2.314572  
1 1 1 2  11 20 o 65.98728 0.8522537 43.77795       1.124559  43.14957       1.572352  44.43598       1.609015  -0.9661102     1.704507  
1 1 1 2  11 21 o 17.46004 1.822146  3.259536       0.5921798 4.437671       0.8494267 2.145483       0.8260020 6.772922       3.644292  
1 1 1 2  11 22 o 17.18433 1.873302  3.129229       0.6430236 3.100117       0.8860541 3.161620       0.9346348 -0.1237698     3.746603  
1 1 1 2  11 23 o 7.430241 2.326615  -0.7602596E-01 0.6857635 0.5257215E-01  0.9701471 -0.2044487     0.9694852 0.4628692      4.653230  
1 1 1 2  11 24 o 9.659071 2.619227  0.9631606      0.7440343 1.573680       1.057610  0.3649230      1.046918  2.905473       5.238453  
1 1 1 2  12 0  o 130.2242 1.993975  169.5109       4.869877  168.8038       5.934153  170.9693       8.522300  0.000000       0.000000  
1 1 1 2  12 1  o 349.8948 3.214434  1225.011       22.22150  1216.579       29.19073  1236.631       34.26833  -2.759888      6.428868  
1 1 1 2  12 2  o 148.9229 1.403637  221.4783       4.127209  219.5409       5.409234  224.1776       6.384853  -1.548721      2.807274  
1 1 1 2  12 3  o 195.7073 1.816310  383.3809       7.041525  384.5680       9.343377  381.8201       10.71297  0.7145081      3.632621  
1 1 1 2  12 4  o 202.4763 1.878974  409.8497       7.523237  408.2155       9.913118  412.0692       11.55311  -0.9386139     3.757948  
1 1 1 2  12 5  o 398.4066 3.388834  1588.665       26.99727  1610.464       38.65260  1567.900       37.72414  5.330536       6.777667  
1 1 1 2  12 6  o 171.7365 1.491524  294.7331       5.119583  301.6896       7.404927  288.3631       7.085969  3.878540       2.983047  
1 1 1 2  12 7  o 367.4175 3.848277  1338.470       26.26932  1388.579       47.22361  1316.016       31.61177  9.656006       7.696554  
1 1 1 2  12 8  o 407.1026 3.998051  1659.686       32.53505  1628.306       45.13338  1693.632       46.94296  -7.989716      7.996102  
1 1 1 2  12 9  o 253.7610 2.656726  650.6057       12.89618  665.0577       16.14094  625.0956       21.44480  7.979843       5.313451  
1 1 1 2  12 10 o 51.81162 1.052483  26.12375       1.073613  20.86814       1.401364  33.59172       1.670479  -12.27576      2.104966  
1 1 1 2  12 11 o 66.65369 1.340400  45.15462       1.737310  41.23126       2.734824  47.80909       2.249519  -4.943581      2.680799  
1 1 1 2  12 12 o 96.27066 0.9563732 92.67428       1.840796  94.69297       2.645571  90.77970       2.562951  2.030937       1.912746  
1 1 1 2  12 13 o 100.1511 1.072221  100.0810       2.112938  98.72989       2.743014  102.0526       3.313454  -1.643539      2.144442  
1 1 1 2  12 14 o 162.4641 1.552825  265.0136       5.011498  259.7872       7.497277  269.2350       6.738023  -2.943268      3.105650  
1 1 1 2  12 15 o 124.4404 1.243652  154.8345       3.058028  153.3795       4.015947  156.8424       4.717731  -1.359055      2.487304  
1 1 1 2  12 16 o 34.47564 1.133476  11.89728       0.7748997 11.78872       1.028652  12.03971       1.178270  -0.3529663     2.266951  
1 1 1 2  12 17 o 62.00264 0.9211692 37.81606       1.110046  35.66739       1.395349  41.52002       1.832029  -4.678642      1.842338  
1 1 1 2  12 18 o 42.50928 0.8620149 18.10469       0.7325286 17.46206       1.018472  18.79341       1.054363  -1.561779      1.724030  
1 1 1 2  12 19 o 30.32040 1.024747  9.237905       0.6206026 8.995566       0.8520513 9.511743       0.9057361 -0.8394032     2.049494  
1 1 1 2  12 20 o 36.86530 0.9547898 13.71218       0.7027908 14.46962       0.9871932 12.93382       1.000738  2.086704       1.909580  
1 1 1 2  12 21 o 13.42662 2.233302  2.108080       0.6430589 2.978907       0.8316315 0.8131263      1.014126  7.139503       4.466605  
1 1 1 2  12 22 o 35.25674 1.240832  12.91592       0.8521718 13.45977       1.102681  12.10944       1.342791  2.104301       2.481665  
1 1 1 2  12 23 o 21.09403 1.732962  4.800866       0.7239932 4.050620       1.016880  5.572135       1.031029  -3.584913      3.465925  
1 1 1 2  12 24 o 10.94681 2.508391  1.376896       0.7440475 0.1218405      1.066278  2.567974       1.038746  -6.371953      5.016782  
1 1 1 2  13 0  f 286.5740 3.458669  822.1730       19.79975  839.4418       28.57225  806.2192       27.46284  0.000000       0.000000  
1 1 1 2  13 1  o 93.52705 0.8725551 87.47603       1.632064  88.18048       2.322704  86.78902       2.293744  0.7437363      1.745110  
1 1 1 2  13 2  o 386.1101 3.280487  1492.522       25.32528  1471.484       35.30746  1514.815       36.34581  -5.594177      6.560974  
1 1 1 2  13 3  o 273.0268 2.329013  745.9344       12.71762  747.2744       18.01399  744.6028       17.95699  0.4886780      4.658026  
1 1 1 2  13 4  o 319.8043 2.722569  1023.311       17.41035  1036.052       24.92252  1011.166       24.33200  3.884613       5.445138  
1 1 1 2  13 5  o 139.6511 1.337189  194.4238       3.681871  191.3943       4.800750  198.7509       5.737478  -2.629990      2.674377  
1 1 1 2  13 6  o 115.6063 1.059451  133.5676       2.448488  136.7127       3.527811  130.6445       3.401036  2.624069       2.118901  
1 1 1 2  13 7  o 419.7069 4.121155  1764.426       34.58389  1741.367       48.23047  1788.828       49.61701  -5.630554      8.242310  
1 1 1 2  13 8  o 81.40379 0.9661900 66.27712       1.572967  65.97482       2.231352  66.57575       2.217734  -0.3691788     1.932380  
1 1 1 2  13 9  o 167.1637 1.700312  279.6257       5.684463  279.9247       8.070034  279.3312       8.008410  0.1766205      3.400624  
1 1 1 2  13 10 o 104.6011 1.110582  108.9235       2.284327  112.3240       3.598759  106.6288       2.956239  2.714172       2.221164  
1 1 1 2  13 11 o 200.1664 2.118654  405.8250       8.139912  385.3455       13.38782  417.8358       10.25268  -8.214279      4.237308  
1 1 1 2  13 12 o 109.9971 1.052404  121.0262       2.314774  123.3714       3.313786  118.7915       3.234811  2.080101       2.104809  
1 1 1 2  13 13 o 147.0815 1.325827  216.3303       3.896407  210.7188       5.370977  222.5645       5.661170  -4.017181      2.651654  
1 1 1 2  13 14 o 109.3354 1.131116  119.4567       2.445447  121.1492       3.763633  118.2201       3.217093  1.319878       2.262232  
1 1 1 2  13 15 o 112.8515 1.249514  127.2252       2.815673  121.4213       3.850939  133.8922       4.127339  -5.511497      2.499027  
1 1 1 2  13 16 o 20.84268 1.655727  4.417410       0.6818775 5.005183       0.9420522 3.770580       0.9882462 2.966703       3.311454  
1 1 1 2  13 17 o 38.96470 1.069163  15.31211       0.8193958 15.69032       1.073488  14.78414       1.268333  1.184559       2.138326  
1 1 1 2  13 18 o 24.09103 1.218164  5.845723       0.5864457 6.004707       0.8205138 5.679692       0.8384977 0.6779099      2.436329  
1 1 1 2  13 19 o 18.12378 1.829300  3.534663       0.6168497 2.628364       0.9274892 4.253501       0.8260162 -4.753541      3.658601  
1 1 1 2  13 20 o 47.43955 1.013101  22.64187       0.9568505 23.21121       1.430276  22.18062       1.287361  1.044624       2.026201  
1 1 1 2  13 21 o 29.07948 1.175300  8.521355       0.6790869 8.042687       0.9009703 9.150987       1.033325  -1.843721      2.350600  
1 1 1 2  13 22 o 32.50061 1.329161  10.86657       0.8319277 10.71846       1.042209  11.12669       1.381145  -0.3246422     2.658321  
1 1 1 2  13 23 o 21.76454 1.688578  5.094516       0.7334753 4.737725       1.037002  5.451705       1.037580  -1.639339      3.377157  
1 1 1 2  13 24 o 18.54766 1.960185  3.874255       0.7211713 3.516423       0.9485312 4.364489       1.110231  -1.872438      3.920371  
1 1 1 2  14 0  o 229.7658 2.786867  528.6529       12.79793  530.6817       18.15908  526.6507       18.03952  0.000000       0.000000  
1 1 1 2  14 1  o 230.6228 1.975579  532.0596       9.111258  537.3164       13.00360  526.9901       12.77010  2.236664       3.951159  
1 1 1 2  14 2  o 164.1326 1.427510  269.4436       4.685743  271.0889       6.670103  267.8406       6.584018  0.9889984      2.855019  
1 1 1 2  14 3  o 453.7477 3.850922  2062.186       34.94590  2072.054       49.65227  2052.500       49.19287  2.147736       7.701844  
1 1 1 2  14 4  o 319.1131 2.716829  1019.051       17.33950  1019.399       24.53816  1018.705       24.50538  0.1085205      5.433658  
1 1 1 2  14 5  o 338.7395 2.881671  1147.686       19.51524  1129.435       27.15009  1167.195       28.07035  -5.565765      5.763342  
1 1 1 2  14 6  o 201.7872 1.743400  407.1260       7.033465  400.9333       9.792410  413.7252       10.10877  -3.167694      3.486800  
1 1 1 2  14 7  o 284.1730 2.623385  808.2111       14.75415  808.0425       19.50625  808.4364       22.55531  -0.3396606E-01 5.246769  
1 1 1 2  14 8  o 100.3667 1.248970  100.4552       2.439553  102.0879       3.948537  99.44712       3.102550  1.308853       2.497940  
1 1 1 2  14 9  o 248.1253 2.198969  619.5636       10.64517  631.1901       13.69823  601.8365       16.91451  5.978882       4.397937  
1 1 1 2  14 10 o 73.88069 1.155135  53.50447       1.677414  49.07055       2.147347  60.44555       2.686720  -7.690277      2.310269  
1 1 1 2  14 11 o 88.94606 1.133315  79.45029       1.932656  78.13490       3.217716  80.19261       2.417249  -1.171219      2.266631  
1 1 1 2  14 12 o 101.9040 1.096014  103.9364       2.206737  104.0005       2.904264  103.8489       3.394322  0.8656311E-01  2.192027  
1 1 1 2  14 13 o 40.24680 1.031118  16.25308       0.8278037 17.13356       1.152076  15.31331       1.190239  2.262383       2.062236  
1 1 1 2  14 14 o 16.67638 2.063287  2.888620       0.6601307 3.594155       0.9304606 2.173588       0.9367025 4.510367       4.126573  
1 1 1 2  14 15 o 88.11576 1.102748  77.60238       1.940556  80.64670       2.839123  74.93309       2.658495  3.233170       2.205495  
1 1 1 2  14 16 o 42.75175 1.031825  18.35385       0.8804627 17.36111       1.260941  19.29840       1.229961  -2.268047      2.063650  
1 1 1 2  14 17 o 47.52811 0.8863865 22.66587       0.8405669 22.27393       1.225845  23.01370       1.154814  -0.7849045     1.772773  
1 1 1 2  14 18 o 13.42372 2.255253  1.847256       0.5951425 1.408194       0.7735689 2.484047       0.9316106 -3.757785      4.510506  
1 1 1 2  14 19 o 52.41060 0.8440025 27.51327       0.8833335 26.26301       1.208935  28.94527       1.293826  -2.543472      1.688005  
1 1 1 2  14 20 o 55.23141 1.008203  30.61259       1.108561  32.16253       1.664328  29.37660       1.486231  2.471195       2.016407  
1 1 1 2  14 21 o 12.67021 2.346738  1.735912       0.6182372 2.367222       0.9034681 1.179974       0.8478214 4.110072       4.693475  
1 1 1 2  14 22 o 13.44314 2.505495  2.083131       0.6904170 2.516608       0.9967973 1.683408       0.9572003 2.730188       5.010989  
1 1 1 2  14 23 o 23.85859 1.839315  6.223174       0.8726451 5.748326       1.264463  6.655010       1.205836  -1.999407      3.678631  
1 1 1 2  14 24 o 23.17251 1.950999  5.927210       0.8865067 7.156907       1.437451  5.172420       1.126178  3.492447       3.901999  
1 1 1 2  15 0  o 82.60206 1.435902  66.73351       2.181737  72.51847       4.025578  64.32761       2.596074  0.000000       0.000000  
1 1 1 2  15 1  o 108.1720 0.9947430 116.8964       2.150399  120.1678       3.116621  113.9239       2.970860  2.885536       1.989486  
1 1 1 2  15 2  o 336.5471 2.863578  1133.564       19.27347  1141.361       27.43558  1125.967       27.08147  2.283173       5.727156  
1 1 1 2  15 3  o 160.2914 1.401087  256.8772       4.490263  261.0480       6.447719  252.9495       6.256961  2.525269       2.802174  
1 1 1 2  15 4  o 203.1477 1.752414  412.7899       7.119884  411.4468       10.03785  414.1498       10.10052  -0.6649475     3.504829  
1 1 1 2  15 5  o 127.5510 1.242840  162.6449       3.139157  163.2122       4.792068  162.2185       4.154713  0.3870316      2.485681  
1 1 1 2  15 6  o 275.5724 2.547649  760.3779       13.90562  762.9818       18.44582  756.9501       21.16433  1.122223       5.095297  
1 1 1 2  15 7  o 247.3621 2.295695  608.2438       11.14842  591.8238       14.35857  633.1677       17.69018  -8.320145      4.591391  
1 1 1 2  15 8  o 138.4741 1.437813  191.8320       3.981934  191.0900       5.612009  192.5843       5.650801  -0.5391235     2.875627  
1 1 1 2  15 9  o 114.8110 1.149945  131.7457       2.612717  132.6852       4.002306  131.0480       3.449005  0.7066422      2.299889  
1 1 1 2  15 10 o 188.0099 1.695873  352.8294       6.150848  349.9489       7.722459  357.8278       10.17251  -2.038086      3.391747  
1 1 1 2  15 11 f 67.30391 1.506817  0.000000       0.000000  ?              ?         45.32409       2.028293  ?              ?         
1 1 1 2  15 12 o 59.97977 0.9717047 34.96578       1.140992  41.01938       1.859150  31.30801       1.445160  8.085453       1.943409  
1 1 1 2  15 13 o 96.04542 1.059116  92.39967       2.026357  91.49043       2.994894  93.16737       2.751904  -0.8800049     2.118233  
1 1 1 2  15 14 o 66.57974 0.8941893 44.25695       1.189275  46.96944       1.730716  41.83035       1.636973  3.856499       1.788379  
1 1 1 2  15 15 o 106.5158 1.124744  113.7516       2.374731  114.3139       3.159084  113.0210       3.600870  0.6326294      2.249488  
1 1 1 2  15 16 o 57.02629 1.062762  32.42797       1.207282  30.70134       1.621889  34.57344       1.807931  -3.378151      2.125524  
1 1 1 2  15 17 o 38.69270 0.9401572 15.01474       0.7274349 15.30120       1.028097  14.72754       1.029401  0.7414322      1.880314  
1 1 1 2  15 18 o 20.12781 1.621650  4.104612       0.6472962 4.091979       0.8609509 4.121037       0.9817229 -0.3637695E-01 3.243300  
1 1 1 2  15 19 o 35.57382 0.9862965 12.74144       0.7012113 13.00865       0.9798717 12.46097       1.003890  0.7751198      1.972593  
1 1 1 2  15 20 o 22.72176 1.595626  5.301825       0.6982013 5.387393       0.8809215 5.157258       1.145029  0.6289024      3.191253  
1 1 1 2  15 21 o 12.46401 2.515633  1.711252       0.6623247 1.940753       0.9203855 1.464760       0.9538475 1.603450       5.031266  
1 1 1 2  15 22 o 42.91537 1.066564  18.72630       0.9131785 20.51261       1.343655  17.19303       1.244855  3.796635       2.133128  
1 1 1 2  15 23 o 12.07424 2.725413  1.751477       0.7664005 1.170729       1.050506  2.412302       1.120593  -3.617696      5.450825  
1 1 1 2  16 0  o 91.05597 1.245242  83.00834       2.265654  82.77165       3.181727  83.25180       3.226990  0.000000       0.000000  
1 1 1 2  16 1  o 393.8724 3.347024  1553.102       26.36584  1549.838       37.20759  1556.393       37.36677  -0.8302917     6.694048  
1 1 1 2  16 2  o 281.6216 2.405513  793.0111       13.54217  809.5872       19.52744  777.6526       18.79651  5.663910       4.811026  
1 1 1 2  16 3  o 132.1039 1.183302  174.5352       3.126375  174.6303       4.421212  174.4401       4.421511  0.7197571E-01  2.366603  
1 1 1 2  16 4  o 163.0766 1.429525  265.7061       4.658711  272.6828       6.753743  259.3731       6.434659  4.079437       2.859050  
1 1 1 2  16 5  o 96.56725 1.156123  93.69694       2.112346  94.61460       2.602606  91.92558       3.615947  1.396545       2.312246  
1 1 1 2  16 6  o 274.0067 2.541414  748.6077       13.71081  735.9353       17.81225  767.0330       21.47828  -5.633545      5.082828  
1 1 1 2  16 7  o 47.93311 1.054915  23.22080       0.9898084 21.72121       1.540855  24.27434       1.291521  -2.664753      2.109829  
1 1 1 2  16 8  o 122.7697 1.128876  150.7684       2.771818  150.2314       3.911554  151.3101       3.928384  -0.4391861     2.257752  
1 1 1 2  16 9  o 135.5059 1.708455  183.7905       4.630094  183.6908       6.537344  183.8909       6.558590  -0.7344055E-01 3.416911  
1 1 1 2  16 10 o 128.5619 1.412592  163.3279       3.228544  160.9190       3.767833  169.9826       6.262548  -3.474327      2.825183  
1 1 1 2  16 11 o 37.75482 1.157742  14.87517       0.7630413 15.58720       0.8962892 13.00019       1.454453  3.437828       2.315485  
1 1 1 2  16 12 o 145.7491 1.326820  212.3188       3.862330  205.9572       5.297110  219.5401       5.643664  -4.648132      2.653640  
1 1 1 2  16 13 o 76.78377 0.9160478 58.91301       1.405139  57.32127       1.932236  60.69955       2.047066  -2.196800      1.832096  
1 1 1 2  16 14 o 22.98832 1.992981  5.179013       0.9053098 6.296330       1.412264  4.399598       1.179538  4.109053       3.985963  
1 1 1 2  16 15 o 37.67662 1.103959  14.19749       0.8299558 13.84348       1.130236  14.61178       1.222677  -1.013397      2.207918  
1 1 1 2  16 16 o 33.20057 1.378425  11.06308       0.8948669 11.00528       1.149203  11.15211       1.426276  -0.1853561     2.756851  
1 1 1 2  16 17 o 38.44965 0.9554096 14.83100       0.7344138 14.82020       1.024180  14.84244       1.053684  -0.2540588E-01 1.910819  
1 1 1 2  16 18 f 23.15160 1.479120  5.400965       0.6834965 5.809607       1.004915  5.049190       0.9323762 1.621954       2.958240  
1 1 1 2  16 19 o 67.91962 0.8706643 46.24681       1.180875  44.28061       1.615932  48.50015       1.729907  -3.082634      1.741329  
1 1 1 2  16 20 o 20.27651 1.524461  4.217809       0.6153945 4.658195       0.8685417 3.773839       0.8720675 2.182592       3.048922  
1 1 1 2  16 21 o 15.83401 2.587273  2.836286       0.7719052 2.903708       0.9490162 2.704484       1.326888  1.025990       5.174546  
1 1 1 2  16 22 o 30.74417 1.281296  9.790269       0.7865574 9.215202       1.116628  10.35663       1.108141  -1.864393      2.562593  
1 1 1 2  16 23 o 10.88736 2.692872  1.411420       0.7238838 1.313381       0.9969237 1.520761       1.052814  -0.6148109     5.385743  
1 1 1 2  17 0  o 56.16704 1.045944  31.52744       1.169568  30.57061       1.583565  32.67577       1.734801  0.000000       0.000000  
1 1 1 2  17 1  o 363.3002 3.091163  1319.477       22.44099  1355.103       32.56441  1287.258       30.96842  9.322235       6.182325  
1 1 1 2  17 2  o 253.8954 2.174240  644.6149       11.03703  654.9432       15.85358  634.9008       15.37486  3.943924       4.348481  
1 1 1 2  17 3  o 435.9284 3.701986  1902.567       32.27602  1902.889       45.64181  1902.246       45.64856  0.7379150E-01  7.403972  
1 1 1 2  17 4  o 292.9135 2.704539  858.4858       15.67711  857.7813       20.71812  859.4291       23.97921  -0.2504578     5.409078  
1 1 1 2  17 5  o 48.00789 1.060730  23.26551       1.002538  28.14584       1.423587  18.46371       1.412088  10.08384       2.121461  
1 1 1 2  17 6  o 212.5904 1.987779  451.6053       8.350558  455.9693       12.87084  448.4330       10.97369  1.754150       3.975558  
1 1 1 2  17 7  o 158.3485 1.514237  250.5460       4.737905  252.8941       7.303715  248.8400       6.225517  1.268066       3.028473  
1 1 1 2  17 8  o 210.5969 2.348284  445.1547       9.730480  438.5726       15.13068  449.7966       12.70653  -2.718628      4.696567  
1 1 1 2  17 9  o 206.9525 1.936952  429.0106       7.940083  429.8387       10.53024  427.9193       12.08824  0.5024567      3.873904  
1 1 1 2  17 10 o 54.30960 0.8655362 29.50366       0.9349795 29.49023       1.257955  29.52025       1.397557  -0.2572250E-01 1.731072  
1 1 1 2  17 11 o 67.22760 0.9272377 45.14775       1.238076  44.63010       1.651792  45.81142       1.870305  -0.8743057     1.854475  
1 1 1 2  17 12 o 134.6099 1.346673  180.2533       3.573807  188.2431       5.595877  174.7497       4.644338  4.979691       2.693347  
1 1 1 2  17 13 o 143.9552 1.320266  207.3626       3.798831  212.7522       5.491369  202.4162       5.260766  3.580429       2.640531  
1 1 1 2  17 14 o 67.62263 0.9580540 45.64642       1.283719  44.86988       1.696782  46.68585       1.963104  -1.333038      1.916108  
1 1 1 2  17 15 o 68.13736 0.9953766 46.11626       1.339102  48.90739       2.091434  44.17701       1.743299  3.448624       1.990753  
1 1 1 2  17 16 o 125.7368 1.274010  158.5505       3.172848  160.7743       4.850193  156.8870       4.194959  1.462395       2.548020  
1 1 1 2  17 17 o 8.994026 2.389717  0.5280910      0.6139940 1.021796       0.8596280 0.1390426E-01  0.8772782 2.682068       4.779434  
1 1 1 2  17 18 o 26.83833 1.350809  7.278998       0.7249209 7.424150       1.038013  7.140802       1.012836  0.5206718      2.701617  
1 1 1 2  17 19 o 28.55168 1.423358  8.078988       0.7818101 8.983546       1.326241  7.597245       0.9678583 2.293903       2.846717  
1 1 1 2  17 20 o 20.41740 1.623654  4.425556       0.6391962 5.393703       0.8711927 3.296699       0.9407263 5.176439       3.247308  
1 1 1 2  17 21 o 24.72286 1.482053  6.329857       0.7323706 6.383412       1.021057  6.273110       1.051051  0.2483578      2.964107  
1 1 1 2  17 22 o 12.33560 2.689858  1.812525       0.7296350 1.901528       0.9957126 1.709312       1.072253  0.6381435      5.379717  
1 1 1 2  17 23 o 20.19020 1.949612  4.522779       0.7472616 3.357880       1.021706  5.862638       1.095750  -6.298162      3.899224  
1 1 1 2  18 0  o 201.8781 2.474113  407.9495       9.981310  404.0161       13.97677  412.0432       14.25887  0.000000       0.000000  
1 1 1 2  18 1  f 442.9100 3.762651  1962.685       33.31197  2003.339       48.08121  1925.157       46.19582  8.804596       7.525303  
1 1 1 2  18 2  o 295.5511 2.523253  874.0003       14.91498  873.3279       21.07153  874.6753       21.11448  -0.2276001     5.046505  
1 1 1 2  18 3  o 481.3387 4.412543  2323.607       42.10439  2338.506       56.05014  2304.312       63.78639  3.672363       8.825087  
1 1 1 2  18 4  o 174.6348 1.768310  304.9645       6.174123  309.4701       8.869219  300.7283       8.600058  2.500931       3.536619  
1 1 1 2  18 5  o 243.8485 2.266412  595.3599       10.95235  597.5829       14.55408  592.4572       16.63075  1.072571       4.532824  
1 1 1 2  18 6  f 40.42569 1.012737  16.64581       0.8036891 14.11968       1.194753  18.73362       1.086167  -5.707363      2.025475  
1 1 1 2  18 7  o 155.1178 1.783155  237.9627       5.347976  251.6821       8.880763  230.1567       6.698812  6.905640       3.566310  
1 1 1 2  18 8  o 193.5199 1.687778  374.7511       6.531425  379.0497       9.333955  370.6269       9.142674  2.172714       3.375557  
1 1 1 2  18 9  o 197.7742 1.855342  392.3945       7.285864  397.8516       9.773192  385.5675       10.93134  3.135971       3.710683  
1 1 1 2  18 10 o 158.1253 1.727028  250.2808       5.127348  250.0317       6.252471  250.7922       8.959354  -0.1584625     3.454056  
1 1 1 2  18 11 o 119.9895 1.164147  144.4271       2.719553  145.5141       3.476252  142.7125       4.366146  1.192657       2.328295  
1 1 1 2  18 12 o 27.69753 1.439317  7.647466       0.7953550 8.227680       1.175587  7.157701       1.080077  1.927921       2.878635  
1 1 1 2  18 13 o 81.57318 1.119703  66.84081       1.757260  67.44022       2.207618  65.80420       2.903131  1.028252       2.239407  
1 1 1 2  18 14 o 113.9538 1.126531  130.0479       2.567326  129.3207       3.609491  130.7924       3.652385  -0.6436844     2.253062  
1 1 1 2  18 15 o 89.30675 1.158113  79.97744       2.067545  80.57444       2.885592  79.34760       2.963878  0.6929474      2.316227  
1 1 1 2  18 16 o 14.60131 2.381489  2.245142       0.6813614 2.074998       0.9356024 2.437286       0.9942505 -1.182389      4.762979  
1 1 1 2  18 17 o 49.71090 0.9738353 24.84860       0.9559256 25.07489       1.258998  24.54055       1.468915  0.5667419      1.947671  
1 1 1 2  18 18 f 55.62764 0.8883681 31.08598       0.9874508 30.95994       1.366247  31.22382       1.428784  -0.2253342     1.776736  
1 1 1 2  18 19 o 29.27006 1.422941  8.690047       0.8208382 8.604453       1.071112  8.811844       1.277702  -0.2704201     2.845883  
1 1 1 2  18 20 f 8.924392 2.469641  0.5149799      0.6589724 0.1122298      0.9515064 0.8862061      0.9135098 -1.823753      4.939281  
1 1 1 2  18 21 o 9.069826 2.546782  0.5830392      0.7028030 0.2323035      0.9979283 0.9281869      0.9899469 -1.637466      5.093565  
1 1 1 2  18 22 o 29.29935 1.496451  8.977951       0.8506241 9.197893       1.385989  8.845044       1.077400  0.2343960      2.992903  
1 1 1 2  18 23 o 12.20198 2.820164  1.936262       0.8246062 1.345115       1.251114  2.390300       1.096467  -2.977239      5.640328  
1 1 1 2  19 0  o 164.7551 2.508063  273.9493       7.878493  278.9443       9.825204  264.9531       13.18566  0.000000       0.000000  
1 1 1 2  19 1  o 296.0253 3.266569  878.0828       18.97150  881.6115       24.57741  872.8805       29.84188  1.534912       6.533139  
1 1 1 2  19 2  o 356.1912 3.926438  1265.558       27.24713  1248.036       34.68647  1293.791       44.03019  -6.285309      7.852875  
1 1 1 2  19 3  o 378.6176 3.722924  1433.388       28.15337  1481.205       41.12067  1391.197       38.62608  11.84772       7.445847  
1 1 1 2  19 4  o 218.2390 1.886290  476.4458       8.232544  472.5842       11.55201  480.4308       11.73530  -1.796158      3.772580  
1 1 1 2  19 5  o 247.2469 2.738178  614.3292       13.34974  597.7601       20.53532  626.4568       17.56869  -5.847885      5.476355  
1 1 1 2  19 6  o 387.2360 4.267489  1503.068       32.30638  1517.106       51.54111  1493.983       41.46236  2.653168       8.534979  
1 1 1 2  19 7  o 289.8735 2.486327  841.4706       14.41177  851.5016       20.62055  831.8918       20.15023  3.371307       4.972653  
1 1 1 2  19 8  o 271.7891 2.334208  739.6487       12.68198  754.3199       18.28517  726.0497       17.60425  5.180878       4.668417  
1 1 1 2  19 9  o 96.55508 1.042694  93.08555       1.985010  92.17903       2.591696  94.37196       3.087367  -1.127792      2.085388  
1 1 1 2  19 10 o 92.97910 1.019890  86.09403       1.859908  84.48338       2.394935  88.54157       2.952267  -2.171310      2.039779  
1 1 1 2  19 11 o 24.23675 1.492758  5.811260       0.7046365 5.581192       0.8916304 6.193956       1.149962  -1.254423      2.985517  
1 1 1 2  19 12 f 74.58340 0.9314798 55.87137       1.352996  56.59067       1.732786  54.74782       2.165643  1.246758       1.862960  
1 1 1 2  19 13 o 39.37994 1.386987  15.49135       1.089011  17.31067       1.583449  13.85847       1.500116  4.379246       2.773975  
1 1 1 2  19 14 o 30.49840 1.411005  9.315346       0.8600358 8.970302       1.189141  9.693782       1.245354  -1.182007      2.822010  
1 1 1 2  19 15 o 88.79474 1.060872  78.99224       1.874968  79.60403       2.796628  78.49274       2.527031  0.6027451      2.121743  
1 1 1 2  19 16 o 12.61083 2.447883  1.533708       0.6700247 0.7842045      0.8823165 2.554729       1.029805  -5.880227      4.895765  
1 1 1 2  19 17 o 48.28278 0.9898254 23.41425       0.9530971 23.59916       1.404406  23.25638       1.297677  0.3361473      1.979651  
1 1 1 2  19 18 f 20.76315 1.841301  4.247025       0.7481309 3.239565       0.9691504 5.732656       1.176881  -5.922977      3.682603  
1 1 1 2  19 19 o 26.32323 1.354769  7.050032       0.7107369 7.686787       1.002086  6.405471       1.008209  2.436174       2.709538  
1 1 1 2  19 20 o 46.42456 1.149461  21.65267       1.060186  20.06606       1.404185  23.75630       1.616868  -3.877510      2.298921  
1 1 1 2  19 21 o 21.78896 1.695125  5.058880       0.7257838 5.376065       0.9631988 4.642210       1.103968  1.841461       3.390249  
1 1 1 2  19 22 o 18.05223 2.227896  3.699075       0.7867259 3.415778       1.090511  4.006544       1.136084  -1.821606      4.455792  
1 1 1 2  19 23 o 22.39133 1.703294  5.558134       0.7592676 5.305261       1.108218  5.781837       1.042341  -1.208031      3.406587  
1 1 1 2  20 0  o 213.6193 3.223564  453.8072       12.82566  466.6528       22.85248  447.9005       15.49639  0.000000       0.000000  
1 1 1 2  20 1  o 140.2889 1.366598  196.7639       3.792197  197.4537       5.814791  196.2534       5.002384  0.4232025      2.733195  
1 1 1 2  20 2  o 231.7986 2.154432  539.0443       9.932886  522.8173       14.71913  552.6132       13.45966  -6.438873      4.308864  
1 1 1 2  20 3  o 315.9675 2.913364  1000.244       18.24321  993.5319       27.68370  1005.396       24.25463  -1.923279      5.826728  
1 1 1 2  20 4  o 122.8674 1.393016  151.5170       3.244349  149.4077       5.539794  152.6180       4.002561  -1.317757      2.786032  
1 1 1 2  20 5  o 126.1884 1.343338  159.1462       3.388258  163.4844       4.896042  155.1591       4.693797  3.296768       2.686676  
1 1 1 2  20 6  o 215.5706 1.870637  465.0557       8.064439  460.6871       11.31737  469.5621       11.49436  -2.055557      3.741274  
1 1 1 2  20 7  o 253.5224 2.182945  643.1914       11.06174  657.3994       15.98449  630.1338       15.32374  5.361374       4.365891  
1 1 1 2  20 8  o 50.21517 0.9303368 24.87906       0.9176597 23.50972       1.177267  26.99932       1.464919  -3.470890      1.860674  
1 1 1 2  20 9  o 187.1750 1.640215  350.7997       6.140127  351.3128       8.677366  350.2851       8.689548  0.2748871      3.280430  
1 1 1 2  20 10 o 63.09034 0.9718423 39.07684       1.210239  35.46976       1.565274  44.43829       1.908332  -7.100212      1.943685  
1 1 1 2  20 11 o 34.94486 0.9945019 12.23708       0.6931317 13.34953       0.9837736 11.14048       0.9767368 3.160583       1.989004  
1 1 1 2  20 12 o 52.47874 1.123266  27.94691       1.141617  29.20807       1.462501  25.97990       1.826471  3.088169       2.246532  
1 1 1 2  20 13 o 10.53070 2.791886  0.8197812      0.7988772 0.6540986      1.127453  0.9868404      1.132127  -0.8570032     5.583772  
1 1 1 2  20 14 o 43.36520 1.321115  18.75933       1.135359  18.13297       1.496621  19.60849       1.742581  -1.680988      2.642229  
1 1 1 2  20 15 o 32.44128 1.265362  10.54295       0.8189881 10.21975       1.113258  10.92420       1.209119  -1.074368      2.530724  
1 1 1 2  20 16 o 47.58625 1.055652  22.75338       0.9920313 22.88085       1.305625  22.57928       1.525871  0.3445740      2.111305  
1 1 1 2  20 17 f 69.11623 0.9161417 47.98126       1.265449  48.06626       1.756695  47.88958       1.824457  0.1391678      1.832283  
1 1 1 2  20 18 o 11.06913 2.621546  0.7758015      0.7594187 2.295996       1.220257  -0.1851881     0.9701999 6.954973       5.243092  
1 1 1 2  20 19 o 28.50488 1.282378  8.192304       0.7292322 7.557516       0.9918714 8.939088       1.075816  -2.392483      2.564756  
1 1 1 2  20 20 o 39.46436 1.052294  15.76214       0.8305573 15.71062       1.172114  15.81410       1.177073  -0.1290894     2.104589  
1 1 1 2  20 21 o 36.62514 1.185615  13.69004       0.8658610 12.48796       1.175319  15.11678       1.280449  -3.505356      2.371230  
1 1 1 2  20 22 o 16.78406 2.291170  3.227765       0.7514964 3.919988       1.100449  2.622835       1.028726  3.980618       4.582340  
1 1 1 2  20 23 o 11.11559 2.662732  1.558705       0.8035349 2.438674       1.064526  0.3933443      1.225047  5.063079       5.325465  
1 1 1 2  21 0  o 94.67726 1.344592  89.63586       2.541432  87.06492       3.503969  92.48955       3.691622  0.000000       0.000000  
1 1 1 2  21 1  o 305.1573 2.610747  929.9249       15.90616  898.1603       21.73507  966.5538       23.33999  -11.18683      5.221494  
1 1 1 2  21 2  o 485.3577 5.332286  2366.465       50.76094  2357.470       79.94729  2372.541       65.70405  -1.922821      10.66457  
1 1 1 2  21 3  o 146.5740 1.696398  215.3109       4.887621  212.9007       7.631804  216.9869       6.363939  -1.406097      3.392797  
1 1 1 2  21 4  o 364.3656 3.357614  1332.199       24.26068  1318.834       36.68271  1342.591       32.34484  -3.365173      6.715229  
1 1 1 2  21 5  o 105.9661 1.028614  112.3123       2.179916  113.3064       3.093277  111.3316       3.072560  0.9316177      2.057228  
1 1 1 2  21 6  o 117.6291 1.273848  138.4270       2.996757  138.9492       4.255965  137.9134       4.220369  0.4398346      2.547696  
1 1 1 2  21 7  o 98.98355 0.9844872 97.99378       1.948523  98.83046       2.790058  97.19717       2.722440  0.8241730      1.968974  
1 1 1 2  21 8  o 98.68605 0.9899175 97.38235       1.953027  95.84992       2.715919  99.02338       2.810502  -1.606445      1.979835  
1 1 1 2  21 9  o 138.7316 1.260520  192.5323       3.496341  196.2972       5.023540  188.9952       4.869216  2.628021       2.521040  
1 1 1 2  21 10 o 79.89206 0.9681765 64.01811       1.525437  64.78374       2.003811  62.96286       2.352482  1.148064       1.936353  
1 1 1 2  21 11 o 97.04832 0.9754629 94.23721       1.893170  93.21260       2.655573  95.29611       2.699663  -1.072296      1.950926  
1 1 1 2  21 12 o 80.56448 1.117497  65.78664       1.743183  68.43520       2.229114  61.61721       2.796835  4.252052       2.234993  
1 1 1 2  21 13 o 73.23561 1.085516  54.06359       1.563781  55.82825       2.053725  51.62882       2.412350  2.883011       2.171031  
1 1 1 2  21 14 o 46.30577 1.148151  21.57762       1.058126  20.47459       1.550639  22.53880       1.447510  -2.236599      2.296302  
1 1 1 2  21 15 o 124.8645 1.206144  156.5155       3.011586  158.9908       4.307629  154.1488       4.212032  1.927238       2.412287  
1 1 1 2  21 16 o 82.55824 0.9644715 68.04234       1.587148  64.33434       2.140126  72.57420       2.365959  -4.961983      1.928943  
1 1 1 2  21 17 o 30.53969 1.276952  9.451568       0.7730905 10.99311       1.101592  7.955506       1.085222  4.968992       2.553904  
1 1 1 2  21 18 f 10.94318 2.705542  1.159305       0.7272084 1.337288       0.9160660 0.8560196      1.195813  0.8165302      5.411085  
1 1 1 2  21 19 o 52.58090 1.041108  27.70886       1.068638  26.90481       1.361037  29.00135       1.725594  -1.862091      2.082216  
1 1 1 2  21 20 o 15.44300 2.368129  2.626354       0.7096287 2.717976       1.040477  2.546671       0.9703243 0.4655609      4.736258  
1 1 1 2  21 21 o 20.50246 1.994955  4.509201       0.8116438 5.320745       1.190282  3.803906       1.109632  3.587563       3.989910  
1 1 1 2  21 22 o 6.400424 2.169715  -1.248325      0.7920731 -0.8323451     1.200317  -1.569179      1.054178  1.266443       4.339430  
1 1 1 2  22 0  o 137.9027 2.168767  191.0898       5.638174  192.2457       6.923609  188.8141       9.714495  0.000000       0.000000  
1 1 1 2  22 1  o 226.8476 2.538934  511.7541       11.18758  529.2369       18.27061  501.2670       14.15067  6.103104       5.077868  
1 1 1 2  22 2  o 125.1559 1.253622  156.1844       3.093585  153.7734       4.034129  159.6263       4.820004  -2.331703      2.507244  
1 1 1 2  22 3  o 109.4791 1.136628  119.9341       2.465238  120.2126       3.271380  119.5681       3.750215  0.2984695      2.273257  
1 1 1 2  22 4  o 241.0974 2.242957  583.3064       10.74562  594.3630       14.47677  569.7404       16.03572  5.136200       4.485915  
1 1 1 2  22 5  o 116.0209 1.183562  134.8459       2.725321  136.1994       3.645708  133.1314       4.103077  1.327530       2.367124  
1 1 1 2  22 6  o 57.41669 0.9162245 32.72372       1.039531  34.55398       1.617346  31.43540       1.356939  2.712864       1.832449  
1 1 1 2  22 7  o 231.6700 2.004576  537.3168       9.284357  528.4236       12.91354  546.8325       13.35786  -3.960251      4.009152  
1 1 1 2  22 8  o 30.21333 1.136558  9.114174       0.6859818 9.715199       0.9956744 8.571110       0.9464462 1.892389       2.273117  
1 1 1 2  22 9  o 37.62023 0.9653075 14.01449       0.7221788 15.59285       1.094639  12.79800       0.9609926 3.711739       1.930615  
1 1 1 2  22 10 o 75.32356 0.9636481 56.80249       1.427831  56.93341       1.859514  56.61440       2.228802  0.2206497      1.927296  
1 1 1 2  22 11 o 56.31166 1.119399  31.19281       1.194372  33.44095       2.081732  30.08963       1.458262  2.955414       2.238799  
1 1 1 2  22 12 o 119.7929 1.186410  143.3835       2.748915  142.4649       3.465712  144.9416       4.513862  -0.9912033     2.372820  
1 1 1 2  22 13 o 52.39303 1.011680  27.19073       1.031354  26.25159       1.304269  28.75790       1.684847  -2.372528      2.023361  
1 1 1 2  22 14 o 23.95020 1.661105  5.754021       0.7946066 5.412608       1.092461  6.137545       1.157877  -1.505350      3.322211  
1 1 1 2  22 15 o 56.50823 1.062720  31.83940       1.173447  31.12974       1.499011  32.96252       1.885796  -1.578533      2.125440  
1 1 1 2  22 16 o 24.68919 1.634995  6.165103       0.8071092 6.046601       1.146913  6.281364       1.136014  -0.4780598     3.269990  
1 1 1 2  22 17 o 28.92911 1.501353  8.333184       0.8432508 9.099258       1.393508  7.890596       1.059190  1.981524       3.002705  
1 1 1 2  22 18 o 56.06056 0.9623508 31.67900       1.078237  32.50815       1.510681  30.81799       1.539440  1.515156       1.924702  
1 1 1 2  22 19 o 11.81961 2.759875  1.479437       0.7555711 1.401126       1.144771  1.539884       1.005754  -0.2662477     5.519750  
1 1 1 2  22 20 o 19.09747 2.006752  3.920345       0.7404634 3.232418       1.023058  4.677186       1.073079  -3.969509      4.013505  
1 1 1 2  22 21 o 28.98466 1.568596  8.886646       0.8943028 9.042558       1.171986  8.669324       1.383683  0.9008923      3.137191  
1 1 1 2  22 22 o 10.32199 2.781672  1.150668       0.7881649 1.007456       1.029082  1.353871       1.225819  -1.064129      5.563344  
1 1 1 2  23 0  o 224.8005 2.755944  506.1491       12.38093  510.8965       17.67566  501.5764       17.34751  0.000000       0.000000  
1 1 1 2  23 1  o 204.5441 1.779021  418.5469       7.276041  424.3665       10.42794  413.0257       10.15716  2.768417       3.558042  
1 1 1 2  23 2  o 326.1082 2.788150  1065.374       18.18450  1061.799       25.63231  1068.997       25.80206  -1.099762      5.576300  
1 1 1 2  23 3  o 77.46252 0.8822160 60.00020       1.366570  59.09016       1.912588  60.94938       1.953300  -1.199753      1.764432  
1 1 1 2  23 4  o 44.23633 0.9479377 19.57646       0.8383527 19.45695       1.200100  19.69036       1.171632  -0.2640953     1.895875  
1 1 1 2  23 5  o 134.7693 1.237040  181.6795       3.333798  183.9658       4.765371  179.4880       4.665617  1.659836       2.474081  
1 1 1 2  23 6  o 224.9528 1.950837  506.7728       8.776567  504.2521       12.34522  509.3488       12.47976  -1.129181      3.901674  
1 1 1 2  23 7  o 54.80155 0.9208007 29.90570       1.000299  31.04583       1.531597  29.05763       1.320938  1.810932       1.841601  
1 1 1 2  23 8  o 79.41162 1.055173  63.07351       1.675486  64.81085       2.396671  61.41280       2.343223  2.138435       2.110345  
1 1 1 2  23 9  o 49.93087 0.8711747 24.78479       0.8639705 26.24829       1.315195  23.67381       1.145903  2.574329       1.742349  
1 1 1 2  23 10 o 88.04277 1.224739  77.99792       2.127832  80.21492       2.812616  75.03091       3.253776  2.958115       2.449479  
1 1 1 2  23 11 f 78.38950 0.8886688 61.48752       1.393180  62.13705       1.981732  60.85282       1.958974  0.8184814      1.777338  
1 1 1 2  23 12 o 117.7046 1.290194  138.4486       3.032600  144.8212       4.441439  132.8829       4.150786  5.057251       2.580389  
1 1 1 2  23 13 o 41.90898 1.145783  17.95387       0.9223879 18.99528       1.172884  16.26575       1.493302  3.279118       2.291565  
1 1 1 2  23 14 o 62.14628 0.9787577 38.68463       1.215361  38.00536       1.676643  39.43674       1.764264  -1.143745      1.957515  
1 1 1 2  23 15 o 47.26665 1.032174  22.31901       0.9724947 21.29002       1.312181  23.57296       1.448537  -2.399170      2.064347  
1 1 1 2  23 16 o 69.99936 0.9469516 49.23603       1.325452  50.13566       1.868870  48.32553       1.880127  1.294914       1.893903  
1 1 1 2  23 17 o 24.14071 1.744074  5.805949       0.8220422 5.379608       1.039265  6.518508       1.343564  -2.245707      3.488149  
1 1 1 2  23 18 o 18.88636 2.373019  3.922988       0.8157683 4.205215       1.008302  3.388198       1.387981  2.733995       4.746039  
1 1 1 2  23 19 o 30.10487 1.291439  9.217034       0.7772747 8.923080       1.082393  9.530020       1.116883  -0.9912663     2.582877  
1 1 1 2  23 20 o 37.86931 1.214327  14.70950       0.9195077 14.56671       1.284496  14.85957       1.316869  -0.3622322     2.428655  
1 1 1 2  23 21 o 29.09889 1.433446  8.857327       0.8339087 8.549228       1.162375  9.184072       1.197038  -1.050816      2.866893  
1 1 1 2  23 22 o 9.155758 2.664282  0.6487694      0.8200409 1.127113       1.047742  -0.1075773     1.317481  1.816899       5.328564  
1 1 1 2  24 0  o 150.3990 1.917003  226.4412       5.760561  223.1164       8.034047  229.9592       8.264152  0.000000       0.000000  
1 1 1 2  24 1  o 205.2195 1.787102  421.4790       7.334700  419.2766       10.32014  423.7271       10.42634  -1.082611      3.574204  
1 1 1 2  24 2  o 114.7367 1.096146  131.6619       2.514980  130.2691       3.519750  133.1149       3.594876  -1.239334      2.192292  
1 1 1 2  24 3  o 41.39433 1.008160  17.15172       0.8339954 17.52398       1.165007  16.76041       1.194439  0.9226227      2.016321  
1 1 1 2  24 4  o 168.0526 1.494424  282.6310       5.022825  282.9832       7.098552  282.2777       7.108153  0.2100830      2.988847  
1 1 1 2  24 5  o 162.6231 1.451026  264.6791       4.719400  264.4083       6.667461  264.9510       6.681037  -0.1665802     2.902052  
1 1 1 2  24 6  o 170.2351 1.511535  290.0804       5.146234  289.3636       7.252582  290.8072       7.303433  -0.4228363     3.023070  
1 1 1 2  24 7  o 70.61444 0.9336494 49.86512       1.306277  50.04301       1.989498  49.73030       1.731887  0.2170181      1.867299  
1 1 1 2  24 8  o 62.07125 0.9635175 38.43119       1.171764  37.96344       1.507821  39.14442       1.861873  -0.9435081     1.927035  
1 1 1 2  24 9  o 27.71296 1.605614  7.670351       0.8756917 9.679640       1.286519  5.935801       1.195332  6.751043       3.211227  
1 1 1 2  24 10 o 80.87830 1.061669  65.37521       1.714744  63.79820       2.350430  67.16959       2.507182  -2.079453      2.123339  
1 1 1 2  24 11 o 31.48747 1.255641  9.797965       0.7808819 9.152736       1.014013  10.73822       1.224078  -2.508698      2.511282  
1 1 1 2  24 12 o 78.84871 0.9596305 62.37103       1.510028  58.37903       2.153803  66.23016       2.117659  -4.980141      1.919261  
1 1 1 2  24 13 o 50.96013 0.9806250 25.67540       0.9485588 24.96837       1.162352  27.08502       1.641232  -2.046234      1.961250  
1 1 1 2  24 14 o 28.12452 1.669212  8.181595       0.9128947 9.259257       1.214097  6.779748       1.384720  4.436182       3.338423  
1 1 1 2  24 15 o 40.57793 1.140455  16.54520       0.9254664 16.37473       1.312582  16.71372       1.305065  -0.4188156     2.280910  
1 1 1 2  24 16 o 53.68410 1.156519  28.89458       1.230446  29.96922       1.885345  28.09724       1.623986  1.686596       2.313038  
1 1 1 2  24 17 o 23.08036 1.646056  5.414687       0.7594083 5.195903       1.055029  5.649915       1.093960  -0.9688683     3.292112  
1 1 1 2  24 18 o 29.20756 1.500085  8.650196       0.8714122 9.026425       1.313923  8.354763       1.164321  1.085215       3.000171  
1 1 1 2  24 19 o 18.18627 2.279912  3.605093       0.7949389 2.658585       1.123658  4.553477       1.124770  -5.475288      4.559824  
1 1 1 2  24 20 o 11.77550 2.654393  1.422863       0.8206210 0.1110963      1.176950  2.663908       1.144785  -6.515326      5.308785  
1 1 1 2  24 21 o 28.03431 1.660007  8.245139       0.9193169 9.601641       1.445088  7.322926       1.191517  3.677162       3.320015  
1 1 1 2  24 22 o 30.80185 1.439801  10.24883       0.8821680 11.09095       1.227474  9.349193       1.268695  2.903627       2.879603  
1 1 1 2  25 0  o 186.8641 2.327221  349.4621       8.685226  341.4941       12.01075  358.1951       12.57414  0.000000       0.000000  
1 1 1 2  25 1  o 178.8427 1.578675  320.0497       5.646048  322.9221       8.058093  317.2798       7.913312  1.574936       3.157350  
1 1 1 2  25 2  o 27.73962 1.271369  7.704784       0.7044274 7.827814       0.9762550 7.571153       1.017442  0.4632320      2.542737  
1 1 1 2  25 3  o 204.7653 1.787498  419.4380       7.315903  410.7979       10.13513  428.8375       10.57114  -4.395050      3.574996  
1 1 1 2  25 4  o 110.9404 1.078853  123.0264       2.391998  120.4929       3.307511  125.8044       3.463468  -2.391525      2.157706  
1 1 1 2  25 5  o 128.9785 1.205469  166.3768       3.108560  169.4911       4.466836  163.4521       4.328749  2.338554       2.410937  
1 1 1 2  25 6  o 170.2552 1.514594  290.1999       5.157315  289.6912       7.278171  290.7130       7.309019  -0.2992554     3.029187  
1 1 1 2  25 7  o 174.2600 1.785833  303.7385       6.217272  314.6607       9.052929  293.9883       8.553419  5.912872       3.571665  
1 1 1 2  25 8  o 69.96265 1.046448  48.98636       1.463767  47.33702       2.061570  50.66322       2.078695  -2.376671      2.092895  
1 1 1 2  25 9  o 133.0597 1.418301  177.2937       3.773886  178.6141       5.388179  176.0222       5.287408  0.9701843      2.836601  
1 1 1 2  25 10 o 117.1502 1.396182  137.2296       3.050117  136.7828       3.694247  138.1864       5.406116  -0.5238876     2.792364  
1 1 1 2  25 11 o 91.94623 1.169170  84.96948       2.060573  83.56484       3.432233  85.76107       2.576585  -1.230156      2.338341  
1 1 1 2  25 12 o 41.01440 0.9682908 16.82588       0.7930505 18.19348       1.142111  15.55255       1.102048  3.217304       1.936582  
1 1 1 2  25 13 o 20.92767 2.063636  4.610497       0.7180119 4.739069       0.8327638 4.238019       1.417421  1.592915       4.127273  
1 1 1 2  25 14 o 19.51928 1.737476  3.580594       0.6421704 3.088495       0.7721694 4.684315       1.156422  -4.017033      3.474951  
1 1 1 2  25 15 o 64.62443 0.9865787 41.93283       1.274796  42.18842       1.785342  41.66697       1.820850  0.4084473      1.973157  
1 1 1 2  25 16 o 25.31118 1.506325  6.494677       0.7624565 6.450230       1.069156  6.540674       1.087633  -0.1726551     3.012649  
1 1 1 2  25 17 o 8.149784 2.566460  -0.4750054     0.7944087 -0.7920507     0.9662021 0.1865094      1.395652  -3.150784      5.132920  
1 1 1 2  25 18 o 28.75396 1.469918  8.450803       0.8440852 8.428891       1.162294  8.475255       1.227834  -0.4552269E-01 2.939837  
1 1 1 2  25 19 o 10.18148 2.673923  0.7640070      0.7702883 0.5306510E-01  1.048111  1.599001       1.135879  -3.968343      5.347846  
1 1 1 2  25 20 o 13.68791 2.974526  2.261302       0.8804337 2.347344       1.097469  2.105933       1.474760  0.8461304      5.949052  
1 1 1 2  25 21 o 16.13960 2.633808  3.184818       0.8269981 3.275175       1.092828  3.063731       1.265096  1.044744       5.267616  
1 1 1 2  25 22 o 19.49204 2.322457  4.542950       0.8743894 4.353003       1.146026  4.807564       1.352648  -0.2450161     4.644914  
1 1 1 2  26 0  o 43.37630 1.390186  18.92865       1.199855  19.92332       1.715850  17.97684       1.678471  0.000000       0.000000  
1 1 1 2  26 1  o 113.7843 1.092462  129.5260       2.486068  129.6339       3.525274  129.4193       3.506466  0.9402466E-01  2.184923  
1 1 1 2  26 2  o 102.2402 1.018887  104.4567       2.081931  101.6236       2.878434  107.5647       3.014894  -2.903511      2.037773  
1 1 1 2  26 3  o 212.7133 1.855586  453.1073       7.894154  453.0013       11.16527  453.2134       11.16277  -0.4992676E-01 3.711172  
1 1 1 2  26 4  o 110.3222 1.076345  121.7648       2.374827  122.6714       3.374097  120.8747       3.343142  0.8138046      2.152690  
1 1 1 2  26 5  o 91.62952 0.9663567 83.93915       1.770144  82.07066       2.458783  85.94955       2.550457  -2.115051      1.932713  
1 1 1 2  26 6  o 228.5440 2.150419  523.6516       9.728435  523.3932       12.86872  523.9960       14.86165  -0.4609680E-01 4.300838  
1 1 1 2  26 7  o 127.5163 1.385704  162.7863       3.533146  164.5287       5.062528  161.1316       4.933228  1.327530       2.771408  
1 1 1 2  26 8  o 34.27055 1.297722  11.75411       0.8889357 11.62714       1.233073  11.89150       1.282684  -0.3840561     2.595443  
1 1 1 2  26 9  o 131.1762 1.328362  172.0864       3.439540  170.8617       4.506822  173.7949       5.322884  -1.086166      2.656725  
1 1 1 2  26 10 o 82.50843 1.116471  67.47356       1.749310  70.31961       3.015812  66.03046       2.147489  2.566650       2.232943  
1 1 1 2  26 11 o 100.9752 1.029517  101.9815       2.077860  98.98628       2.878127  105.2420       3.002920  -3.092186      2.059033  
1 1 1 2  26 12 o 90.68652 1.030241  82.42822       1.851006  82.59795       2.456560  82.20529       2.815418  0.2405548      2.060483  
1 1 1 2  26 13 o 62.97566 0.8534179 39.67841       1.073627  38.58850       1.475838  40.90358       1.564734  -1.830811      1.706836  
1 1 1 2  26 14 o 52.92661 0.9544891 27.95263       0.9649052 27.61846       1.195096  28.57836       1.635371  -0.8584366     1.908978  
1 1 1 2  26 15 o 37.71503 1.370063  14.51064       1.016790  13.41817       1.549489  15.33684       1.347494  -2.593849      2.740126  
1 1 1 2  26 16 o 27.16800 1.582389  7.549440       0.8476813 9.038966       1.203998  6.085349       1.193674  5.432434       3.164778  
1 1 1 2  26 17 o 41.56750 1.214583  17.37115       1.005179  18.67541       1.511559  16.33710       1.345896  2.754635       2.429166  
1 1 1 2  26 18 f 34.00513 1.410437  11.81409       0.9537369 11.63169       1.420386  11.96384       1.287028  -0.5558662     2.820874  
1 1 1 2  26 19 o 20.13801 2.174274  4.461107       0.8309999 5.617723       1.185909  3.345305       1.164798  5.887360       4.348549  
1 1 1 2  26 20 o 38.48963 1.359529  15.35896       1.041206  15.98277       1.564906  14.86345       1.394722  1.274025       2.719057  
1 1 1 2  26 21 o 18.36197 2.538410  4.235353       0.8869172 5.151723       1.170344  2.999099       1.359351  6.478840       5.076819  
1 1 1 2  27 0  o 50.16843 1.273271  25.27426       1.273183  25.27592       1.832825  25.27272       1.769925  0.000000       0.000000  
1 1 1 2  27 1  o 44.31448 0.9245342 19.63562       0.8191134 19.32030       1.140166  19.97196       1.177541  -0.7347527     1.849068  
1 1 1 2  27 2  o 163.3604 1.461686  267.0462       4.774667  264.0006       6.672333  270.2425       6.835417  -1.906815      2.923371  
1 1 1 2  27 3  o 53.44595 0.8957331 28.57472       0.9574531 28.78116       1.357205  28.37019       1.350903  0.3843803      1.791466  
1 1 1 2  27 4  o 80.37211 1.136222  64.19450       1.693353  63.46604       2.036908  65.82440       3.046848  -1.446594      2.272444  
1 1 1 2  27 5  o 93.35444 1.064242  87.28784       1.969545  86.58612       2.984060  87.82948       2.621703  -0.6736755     2.128484  
1 1 1 2  27 6  o 81.67989 1.008994  66.79305       1.633165  66.98355       2.169399  66.54388       2.481155  0.2769089      2.017987  
1 1 1 2  27 7  o 70.89346 0.9814925 50.04893       1.377237  51.94274       2.121982  48.67054       1.810343  2.300148       1.962985  
1 1 1 2  27 8  o 140.6384 1.585674  198.7024       4.225668  199.8250       5.209535  196.5432       7.225209  1.254013       3.171348  
1 1 1 2  27 9  f 52.57891 1.138231  27.46895       1.181570  28.94616       1.843691  26.43938       1.539209  2.372520       2.276462  
1 1 1 2  27 10 o 124.9171 1.184786  156.2610       2.959871  157.1724       4.209599  155.3699       4.162577  0.7194138      2.369571  
1 1 1 2  27 11 o 45.14600 0.9726820 20.38756       0.8771158 21.90611       1.262403  18.97034       1.219563  3.249104       1.945364  
1 1 1 2  27 12 o 10.55309 2.430924  0.9842769      0.6209965 1.647161       0.9146276 0.4173480      0.8458433 4.034657       4.861849  
1 1 1 2  27 13 o 16.21497 2.385356  2.693556       0.7180440 2.525255       0.8830413 3.022027       1.233634  -1.342113      4.770713  
1 1 1 2  27 14 o 66.65884 0.9417467 44.73640       1.220690  45.26581       1.559105  43.89784       1.962227  1.075226       1.883493  
1 1 1 2  27 15 o 50.90349 1.161329  25.96903       1.167993  25.27975       1.527949  26.93801       1.811628  -1.565502      2.322657  
1 1 1 2  27 16 o 17.40602 2.552761  3.288702       0.8581724 3.601839       1.116405  2.836428       1.341695  2.611925       5.105522  
1 1 1 2  27 17 o 40.12436 1.300873  16.38780       1.017386  16.64219       1.306591  15.99603       1.621464  0.9203644      2.601745  
1 1 1 2  27 18 o 16.92381 2.459813  3.092582       0.8195690 2.419542       1.117757  3.875143       1.205276  -4.459151      4.919626  
1 1 1 2  27 19 o 36.57949 1.559633  13.99418       1.138793  14.95497       1.610262  13.03283       1.610732  2.627831       3.119267  
1 1 1 2  27 20 o 17.73332 2.523009  3.519565       0.8720760 2.690924       1.126271  4.760181       1.378093  -5.567345      5.046019  
1 1 1 2  27 21 o 11.72611 2.981274  1.640215       0.8798583 1.245805       1.128341  2.252102       1.405406  -2.538266      5.962548  
1 1 1 2  28 0  o 166.7990 2.109849  278.7618       7.032856  280.5849       10.01919  276.9911       9.874310  0.000000       0.000000  
1 1 1 2  28 1  o 77.87996 0.9060995 60.64342       1.410818  61.88374       2.029187  59.48286       1.962860  1.540359       1.812199  
1 1 1 2  28 2  o 109.6261 1.245159  120.1987       2.728659  118.0277       3.787107  122.5425       3.934951  -2.055824      2.490319  
1 1 1 2  28 3  o 243.1408 2.733771  592.3517       12.97775  588.0276       16.61132  599.1253       20.79078  -2.065063      5.467542  
1 1 1 2  28 4  o 40.00175 1.284181  15.92248       1.013054  15.47362       1.318148  16.57015       1.583398  -1.363422      2.568361  
1 1 1 2  28 5  o 76.77439 0.9990808 58.71879       1.512015  57.46745       1.968030  60.52147       2.362142  -1.979172      1.998162  
1 1 1 2  28 6  o 67.91699 0.9767043 45.83652       1.309923  48.12205       2.041072  44.23587       1.708104  2.852821       1.953409  
1 1 1 2  28 7  o 13.91896 2.762465  2.002223       0.8013670 2.137028       1.126087  1.863905       1.140661  0.8291941      5.524930  
1 1 1 2  28 8  o 92.87569 1.061546  86.48589       1.961550  84.90091       2.912707  87.80131       2.653482  -1.570053      2.123092  
1 1 1 2  28 9  o 130.3325 1.321962  170.6450       3.424955  175.0309       4.630780  165.3487       5.088787  3.735275       2.643923  
1 1 1 2  28 10 o 25.45866 1.489924  6.499140       0.7579042 6.885243       1.080189  6.124750       1.063679  1.492495       2.979848  
1 1 1 2  28 11 o 49.13638 0.9331725 24.11867       0.9157453 25.42203       1.339274  22.97425       1.254953  2.485664       1.866345  
1 1 1 2  28 12 f 68.46172 0.8928192 46.95424       1.222064  47.51651       1.755257  46.42529       1.702469  0.7925262      1.785638  
1 1 1 2  28 13 o 51.79180 0.8771119 26.89409       0.9083060 26.49439       1.292978  27.28353       1.276263  -0.7634277     1.754224  
1 1 1 2  28 14 o 40.71371 1.339503  16.79387       1.069286  16.29108       1.673332  17.14087       1.390139  -1.105247      2.679006  
1 1 1 2  28 15 o 36.22034 1.094068  13.37971       0.7564721 13.79898       0.9472334 12.64148       1.256919  1.669479       2.188136  
1 1 1 2  28 16 o 34.02088 1.435454  11.84108       0.9645830 11.09113       1.456060  12.42759       1.287662  -2.027035      2.870909  
1 1 1 2  28 17 o 21.80155 2.362538  5.128753       0.9625317 3.394775       1.323948  7.072766       1.401840  -8.655556      4.725076  
1 1 1 2  28 18 o 32.43438 1.454280  10.67816       0.9394411 11.79479       1.407967  9.782127       1.261249  3.019617       2.908560  
1 1 1 2  28 19 o 21.86979 1.960439  5.106480       0.8525098 4.924070       1.138251  5.339533       1.286594  -0.7561722     3.920879  
1 1 1 2  28 20 o 15.64462 2.798448  3.121130       0.8882185 3.619576       1.179773  2.468917       1.349535  3.674844       5.596897  
1 1 1 2  28 21 f 12.67634 2.872557  2.187191       0.8243977 2.064203       1.156253  2.314361       1.175741  -0.6921244     5.745114  
1 1 1 2  29 0  o 112.8264 2.204799  127.6843       4.964746  130.3668       7.147415  125.1832       6.901464  0.000000       0.000000  
1 1 1 2  29 1  o 101.1108 1.330005  102.5155       2.639751  103.2859       3.426679  101.3912       4.140019  0.9558487      2.660010  
1 1 1 2  29 2  f 58.03640 0.9731810 33.75026       1.126018  33.03756       1.649905  34.37163       1.540570  -1.151581      1.946362  
1 1 1 2  29 3  o 51.93879 0.9987821 26.77878       1.023010  28.24508       1.603285  25.77184       1.328624  2.374485       1.997564  
1 1 1 2  29 4  o 202.3408 1.923868  409.8573       7.688611  414.5577       11.87634  406.4660       10.08792  1.912781       3.847737  
1 1 1 2  29 5  o 153.1957 1.797914  234.2917       5.375556  239.4732       8.643742  231.0238       6.864498  2.677689       3.595829  
1 1 1 2  29 6  o 41.77314 1.160347  17.47466       0.9682164 17.61557       1.339233  17.32035       1.401412  0.3552895      2.320694  
1 1 1 2  29 7  o 102.5577 1.127682  105.2211       2.291661  105.8437       3.490921  104.7497       3.037895  0.5178604      2.255365  
1 1 1 2  29 8  o 113.3428 1.123836  128.5573       2.546473  126.5865       3.539671  130.6714       3.666172  -1.797234      2.247671  
1 1 1 2  29 9  o 89.31606 1.171153  80.16876       2.006123  80.87541       2.509914  78.91875       3.338199  1.132759       2.342306  
1 1 1 2  29 10 f 34.89278 1.185864  12.21189       0.8246815 13.55669       1.178540  10.92165       1.154387  3.774220       2.371727  
1 1 1 2  29 11 o 37.25410 1.101703  13.93848       0.8185467 15.16734       1.159018  12.71562       1.156187  3.290306       2.203406  
1 1 1 2  29 12 o 69.17532 0.9982572 48.21511       1.354928  49.19358       1.763482  46.80516       2.116879  1.762733       1.996514  
1 1 1 2  29 13 o 32.16296 1.240382  10.15568       0.7810618 11.58810       1.268934  9.281940       0.9910488 3.540585       2.480765  
1 1 1 2  29 14 o 19.85518 1.569834  3.973718       0.6201897 3.817621       0.8295437 4.171540       0.9338543 -0.8613014     3.139668  
1 1 1 2  29 15 o 28.87565 1.348995  8.214146       0.7369305 7.793573       0.8957704 9.094843       1.296254  -2.137192      2.697989  
1 1 1 2  29 16 o 10.65741 2.751434  0.6813539      0.8446822 1.921098       1.255795  -0.3429769     1.141491  5.413832       5.502868  
1 1 1 2  29 17 o 39.18029 1.239600  15.52643       0.9692120 14.27757       1.325432  16.96165       1.420887  -3.382759      2.479200  
1 1 1 2  29 18 o 16.04041 2.570152  2.915284       0.8437394 1.831592       1.176111  4.064440       1.211114  -6.754145      5.140304  
1 1 1 2  29 19 o 19.84708 2.221199  4.273633       0.8386404 3.103138       1.101187  5.890048       1.294054  -6.973671      4.442398  
1 1 1 2  29 20 o 9.105779 2.651125  0.5071421      0.8444053 1.241206       1.097543  -0.5575902     1.321828  2.746463       5.302251  
1 1 1 2  30 0  f 47.04749 1.332479  22.29919       1.246844  21.13090       1.786736  23.40814       1.740768  0.000000       0.000000  
1 1 1 2  30 1  f 110.1687 1.082786  121.4465       2.385486  123.0730       3.406631  119.8816       3.341487  1.446663       2.165572  
1 1 1 2  30 2  o 164.9474 1.481354  272.3575       4.884900  267.6939       6.791701  277.3556       7.031102  -2.919739      2.962708  
1 1 1 2  30 3  o 106.0022 1.227586  112.4793       2.602432  111.8774       3.660550  113.0944       3.700566  -0.5727768     2.455173  
1 1 1 2  30 4  o 76.22089 1.057269  58.00005       1.608458  56.03601       2.192564  60.28867       2.366823  -2.785019      2.114539  
1 1 1 2  30 5  o 85.77794 1.165856  72.98785       1.893846  75.71391       3.280264  71.62486       2.319469  2.353592       2.331712  
1 1 1 2  30 6  o 36.65099 1.121480  13.38220       0.8190688 14.18482       1.223166  12.72973       1.102834  1.980984       2.242960  
1 1 1 2  30 7  o 60.84650 1.005503  37.32190       1.213030  39.58440       1.643583  34.61510       1.797730  4.088615       2.011007  
1 1 1 2  30 8  o 88.87535 1.068605  79.06010       1.883732  78.91183       2.506777  79.25242       2.855076  -0.1779556     2.137210  
1 1 1 2  30 9  o 86.23853 1.051105  74.16966       1.788753  72.60106       2.334651  76.39936       2.783481  -2.178482      2.102210  
1 1 1 2  30 10 o 33.76608 1.159309  11.42428       0.7819985 11.54163       1.136126  11.31864       1.077989  0.3257828      2.318618  
1 1 1 2  30 11 o 82.09210 1.046628  67.84743       1.691530  69.11578       2.217023  66.08051       2.616727  1.888344       2.093257  
1 1 1 2  30 12 o 11.71673 2.659652  1.200807       0.7069421 2.044880       1.169876  0.7152871      0.8872646 4.472443       5.319304  
1 1 1 2  30 13 o 38.59698 1.037126  15.09222       0.7937776 16.66610       1.096065  13.35633       1.151098  4.296200       2.074253  
1 1 1 2  30 14 o 48.19442 0.9579148 23.37076       0.9162759 23.47509       1.224206  23.23787       1.381653  0.2784042      1.915830  
1 1 1 2  30 15 o 42.59750 1.086699  18.34101       0.9022320 18.52229       1.156541  18.05914       1.442096  0.6171951      2.173398  
1 1 1 2  30 16 o 44.90398 1.171949  20.40596       1.050073  20.63448       1.441727  20.14776       1.532478  0.5727196      2.343897  
1 1 1 2  30 17 o 35.81432 1.556969  13.25012       1.087772  13.51770       1.401804  12.84513       1.724550  1.139477       3.113937  
1 1 1 2  30 18 o 22.97791 1.877323  5.560028       0.8544130 5.218232       1.120349  6.035154       1.320915  -1.535442      3.754645  
1 1 1 2  30 19 f 19.56268 2.110077  4.205829       0.8251579 4.109221       1.144980  4.310225       1.190234  -0.4380360     4.220154  
1 1 1 2  30 20 o 8.565020 2.583969  0.2862346      0.8074694 0.8261396      1.123727  -0.2901370     1.161057  1.910445       5.167937  
1 1 1 2  31 0  o 130.0058 2.424852  169.5810       6.291591  173.6806       9.086486  165.8053       8.720123  0.000000       0.000000  
1 1 1 2  31 1  o 149.4192 1.916141  223.7771       5.724912  220.7447       7.995311  226.9676       8.201107  -2.072433      3.832283  
1 1 1 2  31 2  o 192.0574 1.958123  369.8219       7.520653  373.7825       10.73114  365.9990       10.54297  2.016983       3.916247  
1 1 1 2  31 3  o 108.1182 1.154902  117.3205       2.483337  120.2152       3.363258  113.8506       3.682328  2.953026       2.309804  
1 1 1 2  31 4  o 135.6976 1.364029  184.7484       3.676630  187.4476       4.939872  181.3963       5.504995  2.251266       2.728059  
1 1 1 2  31 5  o 75.14426 1.070261  56.42832       1.606783  58.54420       2.338971  54.53749       2.211087  2.661797       2.140522  
1 1 1 2  31 6  o 69.75124 1.006522  48.70631       1.397169  48.77425       1.885158  48.62349       2.081136  0.1146393      2.013043  
1 1 1 2  31 7  o 132.3179 1.252487  175.3522       3.314460  176.6734       4.705052  174.0506       4.669854  0.9895020      2.504975  
1 1 1 2  31 8  o 49.09644 1.052828  24.16236       1.032471  24.68921       1.434000  23.59527       1.487751  1.116653       2.105656  
1 1 1 2  31 9  o 68.79059 0.9871746 47.38488       1.345143  47.25306       1.781998  47.55948       2.050847  -0.2055283     1.974349  
1 1 1 2  31 10 o 73.42412 1.027961  54.01976       1.479902  53.90677       1.911977  54.18863       2.337306  -0.1550674     2.055922  
1 1 1 2  31 11 o 14.55438 2.610252  2.162466       0.7416807 2.616471       1.226957  1.901045       0.9310412 2.276385       5.220504  
1 1 1 2  31 12 o 24.94493 1.536485  6.287483       0.7651033 5.932313       1.092351  6.629526       1.071976  -1.401543      3.072970  
1 1 1 2  31 13 o 31.87957 1.214436  10.06918       0.7671851 8.991940       1.005373  11.57092       1.187046  -4.004461      2.428873  
1 1 1 2  31 14 o 21.27662 1.563533  4.598469       0.6639993 4.261492       0.9380325 4.936893       0.9400443 -1.586527      3.127067  
1 1 1 2  31 15 o 29.58405 1.373067  8.885595       0.7410346 8.887223       0.8834441 8.881727       1.361103  0.1912689      2.746133  
1 1 1 2  31 16 o 27.32084 1.696906  7.659091       0.9250005 8.387787       1.359028  7.030147       1.262586  2.422766       3.393813  
1 1 1 2  31 17 o 26.22204 1.796001  7.106832       0.9367275 6.142224       1.285577  8.198613       1.367699  -3.860447      3.592003  
1 1 1 2  31 18 o 9.413676 2.713875  0.2592354      0.9036090 1.412106       1.243667  -1.029907      1.315117  4.057096       5.427750  
1 1 1 2  31 19 o 8.429436 2.734426  -0.2558120     0.9726965 -0.1154437     1.152283  -0.6038249     1.814355  -1.098652      5.468853  
1 1 1 2  31 20 o 7.767495 2.507395  -0.1970412     0.8633024 0.1044066      1.286680  -0.4438584     1.164266  1.067955       5.014790  
1 1 1 2  32 0  o 41.73772 1.426474  17.56742       1.183924  16.91515       1.681630  18.20848       1.667107  0.000000       0.000000  
1 1 1 2  32 1  o 46.76838 0.9422907 21.87213       0.8806648 22.25835       1.275873  21.52066       1.217101  0.7871437      1.884581  
1 1 1 2  32 2  o 166.5823 1.498130  277.9970       4.991239  278.2369       7.059175  277.7573       7.058179  0.1439056      2.996261  
1 1 1 2  32 3  o 94.95227 1.004322  90.14465       1.905807  88.00624       2.633816  92.49476       2.761125  -2.359718      2.008645  
1 1 1 2  32 4  o 161.8892 1.466036  262.5924       4.746701  262.6510       6.707195  262.5336       6.718518  0.3678894E-01  2.932072  
1 1 1 2  32 5  o 36.00419 1.216344  12.96696       0.8738306 12.78040       1.191894  13.18377       1.284907  -0.5563622     2.432687  
1 1 1 2  32 6  o 96.33229 1.027765  92.78361       1.978500  90.18703       2.731051  95.65143       2.870174  -2.831062      2.055530  
1 1 1 2  32 7  o 28.40470 1.513108  8.111248       0.8574519 8.547856       1.194549  7.647185       1.231537  1.587891       3.026216  
1 1 1 2  32 8  o 31.16099 1.339944  9.741534       0.8349563 9.947516       1.182084  9.536441       1.179533  0.6593857      2.679887  
1 1 1 2  32 9  o 31.45765 1.606477  9.167820       0.9421281 7.963693       1.115872  12.15689       1.758112  -6.589178      3.212953  
1 1 1 2  32 10 o 72.27759 1.014227  52.66677       1.450882  50.31330       2.188614  54.51194       1.937901  -2.929756      2.028454  
1 1 1 2  32 11 o 41.52238 1.060556  17.42034       0.8715723 16.38028       1.307898  18.25114       1.168951  -2.269474      2.121112  
1 1 1 2  32 12 o 28.60335 1.200208  8.228704       0.6846066 8.303487       1.009332  8.164986       0.9316827 0.2274189      2.400417  
1 1 1 2  32 13 o 46.09426 0.9280782 21.31435       0.8547048 20.35230       1.177332  22.38635       1.242793  -2.193436      1.856156  
1 1 1 2  32 14 o 52.77592 0.9608049 28.12022       1.008237  26.99445       1.491274  29.06807       1.368366  -1.991917      1.921610  
1 1 1 2  32 15 o 60.85482 0.9958481 37.24543       1.160007  37.04573       1.443110  37.61006       1.950029  -0.3222160     1.991696  
1 1 1 2  32 16 o 38.36158 1.353673  15.00242       1.038558  15.02067       1.464416  14.98396       1.473107  0.5226898E-01  2.707346  
1 1 1 2  32 17 o 9.150011 2.898271  -0.2551077     1.106052  -1.421470      1.909955  0.3333953      1.356690  -0.6720181     5.796543  
1 1 1 2  32 18 o 43.48412 1.329411  19.91759       1.133374  21.52225       1.505061  17.81572       1.722525  4.480995       2.658822  
1 1 1 2  32 19 o 7.751545 2.508312  -0.3880914     0.8866575 0.3138516E-01  1.139022  -1.033181      1.412500  0.5658813      5.016625  
1 1 1 2  32 20 o 11.38492 2.932304  1.724522       0.8682458 1.542092       1.204268  1.921998       1.252948  -0.9350395     5.864609  
1 1 1 2  33 0  o 47.67958 1.367181  22.83112       1.298113  23.78301       1.879878  21.96352       1.794701  0.000000       0.000000  
1 1 1 2  33 1  f 89.06789 0.9824474 79.39446       1.750014  79.93682       2.489127  78.86434       2.460901  0.6011810      1.964895  
1 1 1 2  33 2  o 37.34499 1.102925  13.96921       0.8233185 13.50784       1.168692  14.42378       1.160053  -1.226631      2.205851  
1 1 1 2  33 3  o 74.99550 0.9426382 56.28906       1.413846  56.50230       2.006863  56.07891       1.992179  0.2818146      1.885276  
1 1 1 2  33 4  o 222.6267 1.951431  497.4453       8.688499  495.0548       12.22533  499.8850       12.35042  -1.076401      3.902862  
1 1 1 2  33 5  o 73.44689 0.9550918 53.97368       1.402673  52.82294       1.959767  55.18235       2.008488  -1.604477      1.910184  
1 1 1 2  33 6  o 25.44923 1.663738  6.525269       0.8399845 5.535679       1.180597  7.539788       1.195376  -3.936373      3.327475  
1 1 1 2  33 7  o 50.31353 1.018256  25.35583       1.024295  25.21004       1.428295  25.51019       1.469737  -0.2957077     2.036512  
1 1 1 2  33 8  o 105.3060 1.183115  111.2648       2.451103  111.5998       3.193880  110.7848       3.823136  0.4373550      2.366229  
1 1 1 2  33 9  o 93.44884 1.186153  87.67661       2.216183  85.13224       3.134376  90.22028       3.133937  -2.722412      2.372307  
1 1 1 2  33 10 o 49.83814 1.090145  24.93110       1.086417  25.37592       1.532415  24.48159       1.540468  0.8981590      2.180289  
1 1 1 2  33 11 o 11.60735 2.528782  1.375232       0.6494930 1.156532       0.9165969 1.595779       0.9204590 -1.463409      5.057564  
1 1 1 2  33 12 o 32.04844 1.147724  10.33845       0.7355421 10.58964       1.048943  10.09545       1.031699  0.7673779      2.295449  
1 1 1 2  33 13 o 24.08399 1.452033  5.851335       0.6979825 6.374341       1.021450  5.393213       0.9559908 2.016781       2.904067  
1 1 1 2  33 14 f 10.48826 2.514955  1.061628       0.6363648 1.400359       0.9274709 0.7603104      0.8747526 2.095659       5.029910  
1 1 1 2  33 15 o 9.750693 2.691497  0.7231914      0.7156760 0.7984180      0.8482473 0.5373514      1.333234  -0.6485462     5.382994  
1 1 1 2  33 16 o 46.06399 1.124803  21.61292       0.9835368 21.85036       1.217367  21.16659       1.669019  0.9327850      2.249606  
1 1 1 2  33 17 o 28.72161 1.749146  8.731495       1.004632  8.616368       1.406774  8.851317       1.435180  -0.3753128     3.498292  
1 1 1 2  33 18 o 18.38049 2.719982  4.019284       0.9676954 4.760152       1.431123  3.395205       1.313488  3.410830       5.439963  
1 1 1 2  33 19 o 16.50925 2.824506  3.426021       0.9213361 3.457838       1.358212  3.398901       1.253956  -0.9804153E-01 5.649012  
1 1 1 2  34 0  o 62.87017 1.311311  39.66130       1.645659  39.93835       2.333906  39.38734       2.320776  0.000000       0.000000  
1 1 1 2  34 1  o 63.59095 0.9405071 40.48498       1.195794  39.65787       1.699457  41.29603       1.682882  -1.288578      1.881014  
1 1 1 2  34 2  o 134.4469 1.264001  180.9270       3.397437  185.0852       4.890806  177.0492       4.722991  2.981125       2.528002  
1 1 1 2  34 3  o 177.1475 1.586083  314.4608       5.617145  309.1413       7.810944  320.1583       8.083764  -3.093796      3.172166  
1 1 1 2  34 4  o 57.54412 0.9907130 33.13187       1.139870  32.34970       1.589372  33.96026       1.635663  -1.397572      1.981426  
1 1 1 2  34 5  f 100.5260 1.062826  101.1267       2.135650  98.81140       2.960777  103.6379       3.083489  -2.394371      2.125652  
1 1 1 2  34 6  o 68.66187 1.011501  47.23109       1.384657  47.21224       2.040501  47.24718       1.885118  -0.3524780E-01 2.023003  
1 1 1 2  34 7  o 54.86554 1.072238  30.24592       1.156408  30.60159       1.507458  29.73731       1.802668  0.8087692      2.144476  
1 1 1 2  34 8  o 52.55117 1.084377  27.40059       1.117810  29.19997       1.786490  26.24288       1.432975  2.778080       2.168755  
1 1 1 2  34 9  o 32.57135 1.511706  10.73404       0.9682968 10.98966       1.267955  10.37639       1.499819  0.9780426      3.023411  
1 1 1 2  34 10 o 56.54015 0.9920267 31.99716       1.108644  31.54604       1.455642  32.62029       1.710804  -0.9179382     1.984053  
1 1 1 2  34 11 o 35.71268 1.149590  12.76333       0.8104227 13.29986       1.262401  12.38720       1.056985  1.235588       2.299181  
1 1 1 2  34 12 o 7.034173 2.186448  -0.3093161     0.6219683 -0.9435397     0.9374207 0.1894426      0.8313016 -1.562198      4.372896  
1 1 1 2  34 13 o 17.59558 1.757846  3.157491       0.6174141 3.127934       0.8456306 3.191235       0.9035556 -0.1560097     3.515693  
1 1 1 2  34 14 o 26.48505 1.414379  7.124615       0.7420160 7.109216       0.9835597 7.144959       1.130444  -0.8731842E-02 2.828758  
1 1 1 2  34 15 o 57.01925 0.9141179 32.79045       1.042270  32.83282       1.461179  32.74655       1.487149  0.8423996E-01  1.828236  
1 1 1 2  34 16 o 24.20366 2.010888  5.981855       0.9101169 5.559402       1.091791  6.943986       1.647660  -2.246872      4.021775  
1 1 1 2  34 17 o 13.17905 3.311804  1.682217       1.016152  1.074432       1.192247  3.295991       1.942731  -5.334228      6.623608  
1 1 1 2  34 18 o 51.44408 1.224792  27.42007       1.245114  28.03310       1.921789  26.97657       1.634585  0.7028809      2.449584  
1 1 1 2  34 19 o 8.179903 2.638119  -0.4184176E-01 0.9391835 -0.4980910     1.602228  0.1969863      1.159220  0.1126194      5.276238  
1 1 1 2  35 0  o 10.25971 3.812567  1.387162       1.074302  2.275392       1.611033  0.6759104      1.441629  0.000000       0.000000  
1 1 1 2  35 1  o 86.45909 0.9869058 74.83479       1.706511  75.07676       2.408984  74.59103       2.417783  0.2812500      1.973812  
1 1 1 2  35 2  o 21.74676 1.805504  4.735564       0.7839876 5.130829       1.138451  4.379045       1.081214  1.724161       3.611009  
1 1 1 2  35 3  o 128.0690 1.226048  164.3299       3.140182  165.3703       4.470709  163.3168       4.411654  0.7983551      2.452095  
1 1 1 2  35 4  o 35.67530 1.212142  12.75454       0.8643599 12.69839       1.200695  12.81493       1.245304  -0.1603317     2.424284  
1 1 1 2  35 5  o 98.38872 1.152657  97.16737       2.240302  97.87350       2.952151  96.20857       3.440052  0.8824692      2.305314  
1 1 1 2  35 6  o 80.12613 1.157538  64.19541       1.851897  61.45082       2.531212  67.35665       2.716555  -3.670525      2.315077  
1 1 1 2  35 7  o 33.92743 1.334322  11.48219       0.8904110 11.13125       1.150820  12.00561       1.405477  -1.257294      2.668643  
1 1 1 2  35 8  o 128.6219 1.604386  166.8973       4.041091  165.6794       6.387309  167.7101       5.218235  -0.9842529     3.208772  
1 1 1 2  35 9  o 57.86614 0.9846600 33.56784       1.133126  33.35177       1.521360  33.83704       1.698138  -0.3986588     1.969320  
1 1 1 2  35 10 o 52.07139 1.006239  27.20247       1.036280  27.42509       1.591231  27.03852       1.365560  0.3370209      2.012478  
1 1 1 2  35 11 o 35.86458 1.091780  12.92607       0.7823735 12.46578       1.077939  13.43848       1.137335  -1.343388      2.183560  
1 1 1 2  35 12 o 42.55898 0.9772415 18.21788       0.8317834 18.41649       1.179788  18.02159       1.172881  0.4624863      1.954483  
1 1 1 2  35 13 o 15.01329 2.308360  2.412667       0.6692572 2.254381       0.8868269 2.622078       1.020038  -1.097271      4.616720  
1 1 1 2  35 14 o 35.22257 1.362896  12.98947       0.8916041 13.67583       1.094239  11.63354       1.537994  3.107849       2.725792  
1 1 1 2  35 15 o 26.95007 1.624060  7.885412       0.8207671 5.934769       1.304059  9.165041       1.056211  -6.141479      3.248119  
1 1 1 2  35 16 o 31.06358 1.775427  10.17713       0.8989789 10.15897       1.014697  10.24339       1.938433  0.8727150      3.550855  
1 1 1 2  35 17 o 27.58584 1.689451  8.137686       0.9250730 8.979398       1.287052  7.238141       1.330533  3.213039       3.378902  
1 1 1 2  35 18 o 9.925116 2.799819  0.9656328      0.8469118 0.6760089      1.237754  1.220593       1.161324  -1.062742      5.599638  
1 1 1 2  36 0  o 68.47833 1.331804  47.06057       1.820871  47.65373       2.583558  46.47512       2.566725  0.000000       0.000000  
1 1 1 2  36 1  f 69.21507 0.9474821 47.91164       1.310610  49.60118       1.899180  46.37546       1.810932  2.325577       1.894964  
1 1 1 2  36 2  o 143.5721 1.337951  206.5930       3.839870  202.0237       5.327067  211.5349       5.539982  -3.295380      2.675902  
1 1 1 2  36 3  o 67.29721 1.027100  45.44030       1.372483  45.92879       1.839606  44.82701       2.061212  0.8332443      2.054199  
1 1 1 2  36 4  f 96.95204 1.224128  94.24164       2.373430  92.91473       3.330909  95.61020       3.382766  -1.385948      2.448255  
1 1 1 2  36 5  o 24.94432 1.954210  6.458022       0.9460587 5.057562       1.406094  7.616399       1.278804  -5.147512      3.908421  
1 1 1 2  36 6  o 70.77758 1.016921  50.06335       1.420516  49.21586       1.856460  51.26042       2.206378  -1.410889      2.033841  
1 1 1 2  36 7  o 16.74901 2.537394  2.951244       0.8225873 2.763661       1.116796  3.173697       1.216176  -1.167162      5.074787  
1 1 1 2  36 8  o 47.61811 1.357414  21.80457       1.211947  25.69120       2.197231  20.10503       1.452960  5.749977       2.714828  
1 1 1 2  36 9  o 32.75479 1.523046  11.26668       0.9570190 8.373400       1.435443  13.58180       1.284037  -7.980955      3.046093  
1 1 1 2  36 10 o 38.63942 1.066355  15.01942       0.8239675 14.89381       1.171209  15.14252       1.159413  -0.3241425     2.132709  
1 1 1 2  36 11 o 26.53345 1.403842  7.115366       0.7444350 7.503525       1.070869  6.752357       1.035597  1.405071       2.807684  
1 1 1 2  36 12 f 13.29458 2.420342  1.949814       0.6513510 2.243751       0.8546728 1.542559       1.006021  2.386948       4.840684  
1 1 1 2  36 13 o 26.89169 1.603082  7.659135       0.8031303 8.262145       0.9965117 6.541514       1.356651  3.357141       3.206165  
1 1 1 2  36 14 o 17.06393 2.398362  3.113319       0.7612177 3.209620       1.317162  3.065025       0.9327601 -0.2420273     4.796725  
1 1 1 2  36 15 o 37.04610 1.149497  14.00678       0.8509711 14.34568       1.189343  13.65132       1.218082  0.9546928      2.298994  
1 1 1 2  36 16 o 13.11064 2.765087  2.090594       0.7636956 2.293178       0.8986477 1.563914       1.448970  2.213987       5.530175  
1 1 1 2  36 17 o 24.19547 2.299947  6.605708       1.102372  6.274445       1.449863  7.059614       1.697160  -1.099773      4.599894  
1 1 1 2  36 18 f 18.94650 2.588739  4.298280       0.9562669 5.375574       1.464260  3.497111       1.262738  4.680124       5.177477  
1 1 1 2  37 0  o 73.81966 1.995418  54.91959       2.936339  55.86473       4.187847  54.00560       4.118249  0.000000       0.000000  
1 1 1 2  37 1  o 84.86645 1.309175  71.74142       2.156855  70.18769       2.724984  74.34748       3.529146  -2.382141      2.618351  
1 1 1 2  37 2  o 86.84335 1.330633  76.50920       2.263333  80.31526       2.961305  71.16261       3.509818  5.318207       2.661266  
1 1 1 2  37 3  o 158.6509 1.786146  252.9107       5.330113  251.9572       6.508420  254.8528       9.288246  -0.5460968     3.572292  
1 1 1 2  37 4  o 27.13260 1.434565  7.388878       0.7776721 7.634356       1.131412  7.169043       1.070687  0.8497391      2.869130  
1 1 1 2  37 5  o 21.93091 1.760918  4.695078       0.7507626 6.598264       1.171872  3.370142       0.9777705 7.326796       3.521837  
1 1 1 2  37 6  o 8.529915 2.663191  -0.3692942     0.8323818 0.1151151E-01  1.470737  -0.5487553     1.009644  2.650247       5.326383  
1 1 1 2  37 7  o 65.95334 1.008166  43.83076       1.317399  42.15814       1.982841  45.15260       1.762697  -2.295670      2.016331  
1 1 1 2  37 8  o 76.11046 1.159705  57.54829       1.649683  60.11228       2.936192  56.36558       1.994195  2.317253       2.319410  
1 1 1 2  37 9  o 95.66147 1.119857  91.91937       2.116739  90.91544       2.778975  93.30678       3.266914  -1.149864      2.239714  
1 1 1 2  37 10 o 58.18565 0.9764791 34.07032       1.134853  34.42442       1.570028  33.68290       1.642257  0.6524048      1.952958  
1 1 1 2  37 11 o 35.65889 1.125184  12.84837       0.7990581 12.47351       1.175519  13.17035       1.089459  -0.9992027     2.250368  
1 1 1 2  37 12 o 32.19545 1.414710  10.82236       0.8590205 11.50406       1.072433  9.601957       1.434902  3.097864       2.829420  
1 1 1 2  37 13 o 43.93529 1.177865  19.63461       1.012288  19.36141       1.601584  19.81635       1.306306  -0.6480141     2.355730  
1 1 1 2  37 14 o 26.07106 1.503449  7.095478       0.7679365 5.802026       1.125542  8.221989       1.050400  -4.683474      3.006897  
1 1 1 2  37 15 o 10.61706 2.695687  1.186792       0.7357113 1.389635       0.9732428 0.9163184      1.123835  1.097281       5.391373  
1 1 1 2  37 16 o 28.82321 1.662382  8.974673       0.8644768 9.223813       1.033691  8.395004       1.576735  2.116323       3.324764  
1 1 1 2  37 17 o 14.61014 3.027077  2.690314       0.9259388 3.390533       1.489167  2.248969       1.182267  2.684680       6.054153  
1 1 1 2  37 18 o 10.59346 2.974465  1.354660       0.9694976 1.847934       1.316484  0.7701443      1.433078  2.078152       5.948930  
1 1 1 2  38 0  o 68.84357 1.340115  47.60854       1.841715  47.60163       2.630486  47.61518       2.579423  0.000000       0.000000  
1 1 1 2  38 1  o 74.82727 0.9425728 56.08727       1.409286  56.79835       2.043038  55.44179       1.946525  0.8982697      1.885146  
1 1 1 2  38 2  o 72.32793 0.9381421 52.43034       1.356971  51.51269       1.909888  53.36581       1.928338  -1.279442      1.876284  
1 1 1 2  38 3  o 99.26778 1.134013  97.83978       2.209072  104.1898       3.525469  93.73477       2.834550  5.189507       2.268027  
1 1 1 2  38 4  o 48.30989 1.259596  23.68124       1.193787  22.13432       1.844651  24.79600       1.565925  -2.790836      2.519192  
1 1 1 2  38 5  o 52.93814 0.9989696 27.95812       1.053278  29.69755       1.578734  26.56282       1.413970  2.943317       1.997939  
1 1 1 2  38 6  o 32.45115 1.283982  10.60618       0.8320504 10.17562       1.193428  11.01342       1.160650  -1.295980      2.567964  
1 1 1 2  38 7  o 83.74475 0.9701744 70.29740       1.623909  72.98948       2.347298  67.82616       2.248965  3.069878       1.940349  
1 1 1 2  38 8  o 45.81107 1.164126  21.04214       1.058598  21.86294       1.611007  20.41842       1.404349  1.532459       2.328252  
1 1 1 2  38 9  o 50.07801 1.125978  25.15541       1.100410  24.75177       1.404632  25.79675       1.770574  -0.9552727     2.251957  
1 1 1 2  38 10 o 20.79488 1.675505  4.436363       0.6900375 3.805337       0.9887246 5.035583       0.9634855 -2.967272      3.351010  
1 1 1 2  38 11 o 23.93957 1.844688  6.007221       0.8367848 6.309212       1.046399  5.471537       1.393653  1.924461       3.689375  
1 1 1 2  38 12 o 16.07062 2.550252  2.614580       0.7844979 3.858367       1.317231  1.930916       0.9765859 5.546037       5.100503  
1 1 1 2  38 13 o 12.05568 2.657421  1.562607       0.7351705 1.014755       1.064701  2.061838       1.016359  -3.141502      5.314841  
1 1 1 2  38 14 o 15.66911 2.607979  2.815231       0.7946796 2.840568       1.034320  2.778726       1.241538  0.4728622      5.215958  
1 1 1 2  38 15 o 19.29401 1.892530  3.974177       0.7296000 3.759266       1.024854  4.195023       1.038909  -1.111504      3.785060  
1 1 1 2  38 16 o 8.893923 2.705763  0.1790940      0.8277587 -0.2487951     1.010196  1.053452       1.444059  -3.343416      5.411526  
1 1 1 2  38 17 o 29.61021 1.544382  9.675412       0.8782839 11.70169       1.190246  7.253243       1.301337  7.680687       3.088763  
1 1 1 2  39 0  o 19.49146 3.778595  4.668891       1.265028  4.956456       1.686102  4.298559       1.913422  0.000000       0.000000  
1 1 1 2  39 1  o 37.36633 1.354589  13.80590       0.9916080 15.15959       1.599256  12.96042       1.263891  2.895325       2.709179  
1 1 1 2  39 2  o 35.24050 1.336838  12.51430       0.9226267 12.33775       1.455582  12.63287       1.192868  -0.4554558     2.673676  
1 1 1 2  39 3  o 73.59624 1.010480  54.28410       1.475991  54.69752       2.233302  53.96348       1.966747  0.4701920      2.020961  
1 1 1 2  39 4  o 34.26749 1.274426  11.80250       0.8456737 11.81017       1.380717  11.79789       1.069824  -0.2684784E-01 2.548851  
1 1 1 2  39 5  o 99.28323 1.118871  99.17222       2.208314  100.4598       2.975398  97.59315       3.295066  1.489693       2.237742  
1 1 1 2  39 6  o 58.68773 0.9855356 34.59561       1.151998  34.75768       1.561904  34.40227       1.705951  0.3233643      1.971071  
1 1 1 2  39 7  o 54.93789 0.9410408 30.31163       1.033130  32.03059       1.475156  28.65681       1.447373  3.065742       1.882082  
1 1 1 2  39 8  o 72.00406 1.045051  52.30519       1.479603  51.53199       2.304917  52.84712       1.929681  -0.9965591     2.090103  
1 1 1 2  39 9  o 65.87344 1.001525  43.78621       1.311238  44.91834       1.772017  42.41608       1.949390  1.937515       2.003050  
1 1 1 2  39 10 o 31.19429 1.413141  9.806367       0.8661464 9.521126       1.117529  10.23550       1.370714  -1.051600      2.826282  
1 1 1 2  39 11 o 29.90293 1.427597  9.375267       0.8169526 7.934334       1.301398  10.31239       1.049508  -4.075466      2.855195  
1 1 1 2  39 12 o 31.64683 1.332405  10.18936       0.8343621 10.25147       1.277419  10.14314       1.101879  0.8671188E-01  2.664810  
1 1 1 2  39 13 o 73.41173 1.155142  54.68301       1.627966  54.64090       2.035756  54.75772       2.711388  0.2268906      2.310284  
1 1 1 2  39 14 o 17.09758 2.205308  3.248298       0.7268711 3.140541       1.112404  3.328586       0.9602091 -1.075844      4.410617  
1 1 1 2  39 15 o 22.06627 1.983461  5.300989       0.8600090 4.164366       1.192789  6.531596       1.241123  -5.290358      3.966922  
1 1 1 2  39 16 f 33.01560 1.507864  11.85972       0.9458536 12.63365       1.195087  10.56212       1.547454  3.645878       3.015728  
1 1 1 2  39 17 o 16.07269 3.049047  3.413233       0.9908000 4.730516       1.614924  2.618078       1.254696  4.671092       6.098095  
1 1 1 2  40 0  o 8.080132 3.421794  0.7380819      0.9648855 0.6429597      1.325772  0.8452100      1.406952  0.000000       0.000000  
1 1 1 2  40 1  o 63.22758 0.9338163 40.08121       1.180484  39.65191       1.645392  40.53657       1.694608  -0.6941872     1.867633  
1 1 1 2  40 2  o 46.66267 0.9531246 21.80783       0.8887659 20.73831       1.229905  22.97671       1.285765  -2.391907      1.906249  
1 1 1 2  40 3  o 49.57343 0.9472010 24.62517       0.9383255 23.94319       1.294923  25.37916       1.361569  -1.440159      1.894402  
1 1 1 2  40 4  o 31.32623 1.204241  9.882821       0.7531154 10.19021       1.044753  9.550308       1.086612  1.028154       2.408482  
1 1 1 2  40 5  o 34.97111 1.123020  12.30862       0.7850569 12.16147       1.124484  12.44855       1.096521  -0.4158363     2.246040  
1 1 1 2  40 6  f 24.26385 1.509172  5.939590       0.7309471 5.454742       1.006458  6.480763       1.063314  -2.098600      3.018344  
1 1 1 2  40 7  o 40.23460 1.065446  16.38908       0.8526008 17.67080       1.179009  14.98407       1.234419  3.351509       2.130892  
1 1 1 2  40 8  o 69.46346 1.038657  48.68671       1.424578  47.80492       2.185856  49.33779       1.878262  -1.171875      2.077315  
1 1 1 2  40 9  o 47.10268 1.343575  23.38614       1.139710  24.76124       1.369014  20.28115       2.057168  4.979126       2.687149  
1 1 1 2  40 10 o 9.100071 2.682309  0.2364093      0.7878807 0.5691704      1.299405  0.4294316E-01  0.9907883 2.060895       5.364618  
1 1 1 2  40 11 o 16.38324 2.421188  2.943736       0.7606073 2.926175       1.169031  2.956627       1.001597  -0.2876625     4.842376  
1 1 1 2  40 12 o 51.11578 1.192352  26.27009       1.170716  25.58868       1.456294  27.51496       1.968371  -1.645699      2.384703  
1 1 1 2  40 13 o 18.48791 2.091986  3.666699       0.7728795 3.777973       1.121280  3.565977       1.066788  0.5051346      4.183973  
1 1 1 2  40 14 o 9.309098 2.642482  0.5080897      0.7798306 1.242592       1.156120  -0.1050743     1.056318  3.119729       5.284965  
1 1 1 2  40 15 o 35.34258 1.349708  13.07737       0.9475899 13.03175       1.268852  13.13490       1.424864  0.4755783E-01  2.699416  
1 1 1 2  40 16 o 27.51120 1.825099  7.984457       0.9555660 7.314531       1.165043  9.361507       1.670336  -2.778433      3.650198  
1 1 1 2  41 0  o 44.15221 1.471658  19.69132       1.292013  18.49709       1.802854  20.95226       1.852522  0.000000       0.000000  
1 1 1 2  41 1  o 47.21030 0.9648926 22.35845       0.9105707 22.01385       1.263562  22.73074       1.313364  -0.7524757     1.929785  
1 1 1 2  41 2  o 50.92505 0.9472907 26.03122       0.9647548 26.41303       1.372638  25.65846       1.356248  0.7384872      1.894581  
1 1 1 2  41 3  o 47.17220 0.9776630 22.35775       0.9218931 21.41001       1.296629  23.32661       1.310997  -2.029015      1.955326  
1 1 1 2  41 4  o 47.58698 0.9729604 22.69545       0.9247530 24.05353       1.350039  21.49498       1.269290  2.673893       1.945921  
1 1 1 2  41 5  o 30.71877 1.263246  9.495606       0.7745352 9.897224       1.139980  9.151241       1.055597  1.193165       2.526492  
1 1 1 2  41 6  o 26.11176 1.379292  6.903149       0.7195152 6.564670       1.021106  7.236952       1.014027  -1.289408      2.758584  
1 1 1 2  41 7  o 45.87726 1.011049  21.21173       0.9261279 22.43106       1.302524  19.96498       1.317083  2.690918       2.022098  
1 1 1 2  41 8  o 10.84446 2.753343  0.6040128      0.9070412 2.122607       1.272196  -0.9660404     1.293571  6.329131       5.506687  
1 1 1 2  41 9  o 40.80781 1.286517  16.76437       1.039871  17.65888       1.601468  16.11230       1.367330  1.808659       2.573034  
1 1 1 2  41 10 o 38.60888 1.236329  15.06166       0.9473193 14.54795       1.254992  15.74203       1.444286  -1.462082      2.472658  
1 1 1 2  41 11 o 27.92871 1.548247  7.992530       0.8624718 7.211682       1.192197  8.849890       1.249241  -2.897776      3.096495  
1 1 1 2  41 12 o 23.07547 1.739692  5.580671       0.8008678 5.374026       1.159377  5.769268       1.107593  -0.9048595     3.479383  
1 1 1 2  41 13 o 46.54195 1.144474  22.42332       1.053909  19.63762       1.534671  24.90960       1.449849  -5.728378      2.288947  
1 1 1 2  41 14 o 19.99850 2.016241  4.365325       0.8061891 4.486022       1.141347  4.245144       1.138904  0.5983257      4.032483  
1 1 1 2  41 15 o 13.08688 3.086630  2.111230       0.9090598 1.745446       1.117062  2.828488       1.564238  -2.502938      6.173260  
1 1 1 2  41 16 o 14.92815 3.204777  3.377582       1.091293  2.533190       1.757791  3.907153       1.392056  -4.180882      6.409554  
1 1 1 2  42 0  o 48.71806 1.399761  24.00585       1.356379  24.66554       1.878248  23.28687       1.960837  0.000000       0.000000  
1 1 1 2  42 1  o 47.58486 0.9569191 22.74874       0.9097170 22.71244       1.257265  22.78862       1.317947  -0.6943130E-01 1.913838  
1 1 1 2  42 2  o 68.74438 0.9537098 47.46820       1.311003  48.45116       1.875591  46.52917       1.833213  1.390366       1.907420  
1 1 1 2  42 3  o 8.085142 2.403592  0.7684170E-01  0.6703714 0.4118406      0.9485224 -0.2574884     0.9475750 1.416066       4.807184  
1 1 1 2  42 4  o 48.31722 0.9779322 23.49481       0.9435389 21.86720       1.328101  25.15351       1.340720  -3.398106      1.955864  
1 1 1 2  42 5  o 47.41675 1.063748  22.55406       1.004909  23.52152       1.500016  21.76630       1.353555  1.817993       2.127496  
1 1 1 2  42 6  o 40.01600 1.123031  16.07588       0.8944242 18.45392       1.307390  13.98365       1.226313  5.565071       2.246062  
1 1 1 2  42 7  o 35.76068 1.311196  12.87903       0.9292017 13.47774       1.426363  12.43762       1.224740  1.384655       2.622391  
1 1 1 2  42 8  o 28.73433 1.518938  8.238860       0.8567575 9.293735       1.377747  7.573731       1.094012  2.869503       3.037875  
1 1 1 2  42 9  o 37.64180 1.438808  14.59608       1.041406  14.99528       1.315378  13.92557       1.704739  1.612854       2.877616  
1 1 1 2  42 10 o 23.39048 1.782101  5.636688       0.8295820 5.458394       1.112249  5.860234       1.245426  -0.7690983     3.564203  
1 1 1 2  42 11 o 27.65219 1.652124  7.995145       0.8950678 7.396833       1.380535  8.429039       1.175642  -2.014080      3.304249  
1 1 1 2  42 12 o 8.618708 2.553630  0.3414819      0.7464597 0.5562140      1.043469  0.1164194      1.068274  0.8265886      5.107260  
1 1 1 2  42 13 o 25.85636 1.538390  7.042597       0.7940750 7.448088       1.116748  6.627909       1.129341  1.601040       3.076781  
1 1 1 2  42 14 o 9.398934 2.650102  0.6762938      0.8202494 1.362866       1.053025  -0.3830571     1.308023  2.877378       5.300205  
1 1 1 2  42 15 o 11.78474 3.160297  1.791785       1.011445  1.734421       1.674351  1.824746       1.269190  -0.1440401     6.320593  
1 1 1 2  43 0  o 22.88233 2.373802  5.621681       1.026778  5.749865       1.386617  5.466065       1.527795  0.000000       0.000000  
1 1 1 2  43 1  o 18.28524 1.866795  3.405393       0.6816680 3.568525       0.9981220 3.262793       0.9331980 0.8101063      3.733591  
1 1 1 2  43 2  o 26.31268 1.428064  7.025459       0.7492195 7.300132       1.033441  6.721154       1.087757  1.116516       2.856128  
1 1 1 2  43 3  o 86.81936 1.016407  75.83308       1.764641  75.21966       2.471804  76.47067       2.520053  -0.7100525     2.032813  
1 1 1 2  43 4  f 65.93553 0.9486552 43.70253       1.250368  44.29527       1.801885  43.15202       1.736502  0.8531113      1.897310  
1 1 1 2  43 5  o 68.26392 1.160890  47.02434       1.584868  46.44722       2.230841  47.61246       2.251993  -0.8475571     2.321779  
1 1 1 2  43 6  o 13.53532 2.590123  1.938181       0.7492353 1.175940       1.024096  2.816044       1.099025  -5.133063      5.180247  
1 1 1 2  43 7  o 44.82777 1.180430  20.12288       1.037825  19.35923       1.331350  21.30565       1.656896  -2.062191      2.360861  
1 1 1 2  43 8  o 72.69152 1.285552  53.55848       1.814155  54.40125       2.951620  53.04681       2.299846  0.6348724      2.571104  
1 1 1 2  43 9  o 49.83376 1.169140  25.19179       1.165238  25.25337       1.652766  25.13094       1.643068  0.1186180      2.338280  
1 1 1 2  43 10 o 28.77620 1.595246  8.451118       0.8790290 8.759216       1.483168  8.284302       1.091358  0.5768394      3.190492  
1 1 1 2  43 11 o 31.81335 1.378777  10.47618       0.8756386 10.80550       1.215349  10.12071       1.262687  1.116970       2.757555  
1 1 1 2  43 12 o 8.572648 2.526090  0.3508477      0.7215645 0.6820741      1.069175  0.7380293E-01  0.9778255 1.545529       5.052180  
1 1 1 2  43 13 o 24.09602 1.933279  6.405476       0.8881772 6.546271       1.113467  6.159180       1.472696  1.415756       3.866558  
1 1 1 2  43 14 o 16.11808 2.773125  3.249235       0.8916191 3.797914       1.280534  2.732900       1.242219  3.008935       5.546250  
1 1 1 2  43 15 o 12.03859 3.635418  2.070277       1.508952  2.168388       2.630997  2.022186       1.842015  0.2715006      7.270836  
1 1 1 2  44 0  o 9.552492 3.531326  1.396877       0.8937045 1.065288       1.381854  1.635300       1.171752  0.000000       0.000000  
1 1 1 2  44 1  o 42.60766 1.139039  17.97353       0.9475482 19.80635       1.544640  16.86767       1.199824  3.358730       2.278078  
1 1 1 2  44 2  o 48.15185 1.707620  23.41035       1.644501  23.41035       1.644501  ?              ?         ?              ?         
1 1 1 2  44 3  o 48.99386 1.423427  24.42721       1.351432  24.68252       1.717064  24.01160       2.190767  0.8511276      2.846854  
1 1 1 2  44 4  o 17.68317 2.332469  3.433291       0.7857443 4.025288       1.044363  2.661065       1.192791  4.224543       4.664938  
1 1 1 2  44 5  o 15.98216 2.509379  2.795043       0.7779123 2.924054       1.040460  2.631513       1.171414  1.010618       5.018758  
1 1 1 2  44 6  o 42.88834 1.130903  18.57224       0.9662552 18.73181       1.433816  18.43948       1.307838  0.2999001      2.261805  
1 1 1 2  44 7  o 15.25961 2.717505  2.649442       0.8658941 1.608260       1.255918  3.592760       1.195438  -5.776149      5.435010  
1 1 1 2  44 8  o 11.12922 2.602085  0.8899199      0.7403679 2.386893       1.202847  -0.2313263E-01 0.9394019 6.900702       5.204169  
1 1 1 2  44 9  o 24.24233 1.783010  6.030912       0.8605804 5.429924       1.155686  6.778951       1.289344  -2.688196      3.566019  
1 1 1 2  44 10 o 54.49685 1.030006  30.25850       1.121901  31.01235       1.572406  29.47680       1.601202  1.426838       2.060011  
1 1 1 2  44 11 o 30.66495 1.456560  9.759163       0.8920624 9.386879       1.222745  10.18279       1.304338  -1.218287      2.913121  
1 1 1 2  44 12 o 9.317327 2.734487  0.5654801      0.8017278 0.4258774      0.9907640 0.8302971      1.364571  -1.656262      5.468974  
1 1 1 2  44 13 o 14.28729 2.893456  2.594088       0.9185861 1.619497       1.278283  3.634776       1.320920  -5.523597      5.786911  
1 1 1 2  44 14 o 7.104696 2.406126  -1.296923      1.005888  -2.408920      1.507576  -0.4046519     1.350442  -1.312637      4.812251  
1 1 1 2  45 0  o 8.325100 3.386840  0.2771191      1.087330  -1.552072      1.562562  1.994430       1.514021  0.000000       0.000000  
1 1 1 2  45 1  f 33.80595 1.211218  11.41520       0.8136116 10.03635       1.083238  13.19985       1.232377  -4.627247      2.422435  
1 1 1 2  45 2  o 43.97657 1.250733  19.64165       1.094077  18.99093       1.618224  20.18954       1.484880  -1.410736      2.501467  
1 1 1 2  45 3  o 25.97593 1.629860  7.018256       0.8294470 6.041069       1.246465  7.794847       1.111187  -3.437826      3.259720  
1 1 1 2  45 4  o 26.40959 1.585176  7.141977       0.8330795 6.795839       1.222002  7.442537       1.138708  -1.261868      3.170353  
1 1 1 2  45 5  o 53.62961 1.080123  29.07604       1.154412  28.98585       1.566999  29.18310       1.707162  -0.1324158     2.160246  
1 1 1 2  45 6  o 24.30986 1.719970  6.222378       0.8166906 5.132061       1.214502  7.122374       1.103422  -4.162163      3.439940  
1 1 1 2  45 7  o 12.07587 2.565615  1.432242       0.7380798 2.570434       1.093365  0.4793335      1.000422  6.228354       5.131230  
1 1 1 2  45 8  o 30.96983 1.528144  9.946589       0.9143637 9.471268       1.478175  10.24119       1.163720  -1.439880      3.056287  
1 1 1 2  45 9  o 10.88701 2.666048  0.6635122      0.8269928 -0.6104117     1.067179  2.578557       1.308444  -7.643974      5.332097  
1 1 1 2  45 10 o 10.26812 2.781126  0.9215644      0.8233275 0.4026500      1.144077  1.478983       1.185763  -2.577263      5.562252  
1 1 1 2  45 11 o 28.53581 1.669590  8.701921       0.9249690 8.909719       1.186021  8.379302       1.477790  1.306641       3.339181  
1 1 1 2  45 12 o 18.00802 3.052471  4.151193       1.086027  4.049179       1.503596  4.262463       1.570325  -0.3882656     6.104942  
1 1 1 2  45 13 o 12.16569 3.273177  1.932216       1.078593  2.054957       1.779230  1.860902       1.356206  0.4019127      6.546354  
1 1 1 2  46 0  o 25.26275 2.175961  6.682000       1.037768  7.174768       1.717476  6.398626       1.302416  0.000000       0.000000  
1 1 1 2  46 1  o 9.503068 2.677925  0.4990841      0.7714648 0.9281303      1.157435  0.1561004      1.034859  2.107798       5.355850  
1 1 1 2  46 2  o 11.16162 2.621602  0.6018593      0.7707756 2.627867       1.317323  -0.4528136     0.9504532 8.355754       5.243203  
1 1 1 2  46 3  o 67.88281 1.203991  47.02089       1.545981  46.00238       2.641322  47.55163       1.906706  -1.461555      2.407983  
1 1 1 2  46 4  o 11.89889 2.617018  1.477728       0.7252074 2.142923       1.027261  0.8168230      1.023943  4.018109       5.234035  
1 1 1 2  46 5  o 44.21146 1.140290  19.85382       1.006248  20.68325       1.400115  18.96773       1.447150  1.960258       2.280580  
1 1 1 2  46 6  o 52.14544 1.079879  27.49796       1.117878  27.20028       1.489455  27.88194       1.691606  -0.5689354     2.159758  
1 1 1 2  46 7  o 14.83471 2.459368  2.457430       0.7847561 1.140155       1.109568  3.775867       1.110057  -8.088984      4.918735  
1 1 1 2  46 8  o 39.45507 1.358410  15.89833       1.049319  16.91350       1.684347  15.25443       1.341435  1.813946       2.716820  
1 1 1 2  46 9  o 16.73336 2.658695  3.313269       0.8665630 3.667993       1.161602  2.868118       1.301266  2.563373       5.317390  
1 1 1 2  46 10 o 15.24708 3.045367  2.849568       0.9755619 2.269640       1.307004  3.579114       1.465940  -3.411167      6.090734  
1 1 1 2  46 11 o 15.02812 3.254557  3.007457       1.067270  2.950729       1.613028  3.051631       1.423392  -0.5431824     6.509114  
1 1 1 2  46 12 o 22.62476 3.344526  7.054162       1.407581  7.645925       1.732665  5.905652       2.413839  6.132540       6.689052  
1 1 1 2  46 13 o 8.858294 3.009380  -0.7239941     1.383921  -0.4951015     1.588999  -1.443032      2.816331  -1.306891      6.018761  
1 1 1 2  47 0  o 9.806179 3.456200  1.331459       0.9276578 2.346263       1.333780  0.3805983      1.291075  0.000000       0.000000  
1 1 1 2  47 1  o 21.67613 1.682622  4.837641       0.7268769 4.884307       0.9905078 4.783184       1.070007  0.2812462      3.365244  
1 1 1 2  47 2  o 25.90088 1.554967  6.935213       0.7977936 7.803010       1.109791  6.007177       1.147663  3.488256       3.109935  
1 1 1 2  47 3  o 11.84181 2.690667  1.492960       0.7306796 1.809029       1.046441  1.192242       1.020713  1.912076       5.381334  
1 1 1 2  47 4  o 24.95428 1.586583  6.395221       0.7915481 6.596453       1.137677  6.206410       1.102011  0.7594624      3.173167  
1 1 1 2  47 5  o 41.46680 1.128536  17.45174       0.9359282 17.40876       1.325074  17.49453       1.322136  -0.1048012     2.257071  
1 1 1 2  47 6  f 56.70491 1.027144  32.71133       1.164761  32.11300       1.644444  33.31372       1.650010  -1.055428      2.054287  
1 1 1 2  47 7  o 21.76072 1.848135  5.023254       0.8030803 5.294831       1.176581  4.786376       1.098853  1.073446       3.696271  
1 1 1 2  47 8  o 7.767426 2.532153  -0.6513979     0.9112126 -0.3961698     1.315337  -0.8869138     1.263522  0.7943096      5.064305  
1 1 1 2  47 9  o 10.62946 2.963672  0.8845705      1.067551  1.926121       1.302753  -1.244608      1.862637  3.978890       5.927344  
1 1 1 2  47 10 o 29.42705 2.236226  9.653457       1.297823  10.63418       2.042710  8.989602       1.680619  2.046659       4.472451  
1 1 1 2  47 11 f 33.52636 2.866414  14.58983       1.564371  16.01378       1.869114  11.25934       2.858522  9.895309       5.732828  
1 1 1 2  47 12 o 9.231083 3.031483  -0.7859914E-01 1.248442  -0.4290956     1.511250  0.6746196      2.215415  -2.268176      6.062965  
1 1 1 2  48 0  o 9.853384 3.633726  1.421903       0.9701689 2.180599       1.437479  0.7872083      1.314770  0.000000       0.000000  
1 1 1 2  48 1  o 12.39141 2.415891  1.538958       0.6862718 0.5215093      0.9268399 2.773775       1.021056  -7.069530      4.831781  
1 1 1 2  48 2  o 28.28488 1.412713  8.164461       0.7982767 8.632329       1.161132  7.745117       1.099273  1.533060       2.825426  
1 1 1 2  48 3  o 35.05219 1.243094  12.55445       0.8707808 12.15485       1.241526  12.94137       1.221655  -1.133808      2.486188  
1 1 1 2  48 4  o 28.73251 1.409799  8.525713       0.8099786 8.725711       1.146385  8.326342       1.144583  0.6935043      2.819598  
1 1 1 2  48 5  o 30.46325 1.372300  9.597738       0.8348549 9.007107       1.179949  10.18980       1.181378  -1.939957      2.744599  
1 1 1 2  48 6  o 11.72482 2.749307  1.510605       0.7938236 2.217926       1.120801  0.7986327      1.124480  3.918707       5.498614  
1 1 1 2  48 7  o 19.26680 2.622956  4.307141       0.9837708 3.325851       1.371338  5.347605       1.412080  -5.452787      5.245912  
1 1 1 2  48 8  f 9.281575 2.818150  0.3274025      0.9546922 0.7702227      1.332679  -0.1394075     1.368302  1.428560       5.636301  
1 1 1 2  48 9  o 22.65454 3.671623  8.764352       1.799488  10.57121       2.097325  3.723169       3.503244  15.14135       7.343246  
1 1 1 2  48 10 o 13.23724 3.665631  2.365349       1.341589  2.461766       1.535485  2.054268       2.758071  0.5560589      7.331262  
1 1 1 2  48 11 o 29.59290 3.441630  13.05193       1.634877  14.15323       1.932468  10.27915       3.066305  11.32039       6.883261  
1 1 1 2  49 0  o 21.95728 2.925054  5.422922       1.141888  6.626319       1.773441  4.570687       1.492422  0.000000       0.000000  
1 1 1 2  49 1  o 14.89825 2.514145  2.526368       0.7424642 3.047683       1.085225  2.067638       1.018002  3.028711       5.028291  
1 1 1 2  49 2  o 6.954165 2.261489  -0.7704500     0.7442155 -1.473071      1.036065  -0.2146775E-01 1.069700  -2.080759      4.522977  
1 1 1 2  49 3  o 14.76394 2.354123  2.445890       0.7844423 0.6653293      1.091039  4.351345       1.128655  -10.73065      4.708246  
1 1 1 2  49 4  o 29.90471 1.524571  9.166012       0.9032524 10.79819       1.394939  7.987559       1.185297  4.483541       3.049142  
1 1 1 2  49 5  o 20.04802 2.987376  4.603637       1.106722  4.119991       1.348641  5.600920       1.936609  -2.383837      5.974752  
1 1 1 2  49 6  o 12.63341 3.004514  1.882562       0.9433680 2.649603       1.320761  1.083674       1.347900  3.933566       6.009028  
1 1 1 2  49 7  o 36.47392 1.855881  14.37740       1.328466  14.21895       1.720778  14.61116       2.090085  0.4753113E-01  3.711763  
1 1 1 2  49 8  o 13.04840 3.704498  2.211768       1.428899  2.488081       1.615107  1.216452       3.065355  1.163796       7.408996  
1 1 1 2  49 9  o 12.28785 3.571115  1.551403       1.299550  0.9664629      1.546389  2.957637       2.397684  -3.663499      7.142231  
1 1 1 2  49 10 o 16.11326 6.333859  0.000000       0.000000  ?              ?         5.573045       2.982573  ?              ?         
1 1 1 2  50 0  o 23.14593 3.931404  7.470245       1.360144  8.201889       1.599222  5.557176       2.585974  0.000000       0.000000  
1 1 1 2  50 1  o 13.24309 3.010600  2.024894       0.9546884 2.924556       1.361343  1.154263       1.339196  4.576560       6.021200  
1 1 1 2  50 2  o 23.23121 2.602915  6.118451       1.131635  6.027911       1.420688  6.275611       1.871755  0.6078205      5.205830  
1 1 1 2  50 3  o 16.53704 3.252177  3.308073       1.073401  2.886827       1.324387  4.114567       1.832514  -2.401114      6.504353  
1 1 1 2  50 4  o 30.81147 2.217532  10.66420       1.338958  11.64636       1.792799  9.425320       2.013506  3.980408       4.435065  
1 1 1 2  50 5  o 40.73928 1.702423  17.65781       1.341208  17.50913       1.694615  17.90710       2.194276  0.2010422      3.404846  
1 1 1 2  50 6  o 21.06002 4.561188  7.318063       2.101475  7.275011       2.947658  7.362563       2.996821  -0.2240181E-01 9.122376  
1 1 1 2  50 7  o 9.108303 3.082972  -1.462467      1.588431  -0.9396526     2.386058  -1.878572      2.128671  1.186235       6.165943  
1 1 1 2  50 8  o 34.23814 3.776200  0.000000       0.000000  ?              ?         14.08195       2.585801  ?              ?         
1 1 1 2  50 9  o 19.47330 6.066488  0.000000       0.000000  ?              ?         6.919537       2.613956  ?              ?         
1 1 1 2  51 0  o 11.75795 4.802413  2.445880       1.808199  1.491084       2.378675  3.752883       2.783031  0.000000       0.000000  
1 1 1 2  51 1  o 17.68910 3.855135  4.382255       1.443049  4.424237       1.688888  4.268712       2.777473  1.953018       7.710271  
1 1 1 2  51 2  o 10.13014 3.127978  0.2554713      1.227989  -0.6219792     1.692389  1.231089       1.784550  -2.680408      6.255955  
1 1 1 2  51 3  o 16.00184 4.054921  3.861114       1.651613  3.722616       2.368176  3.992275       2.304588  -0.5565786     8.109841  
1 1 1 2  51 4  o 11.02733 3.569777  0.2240576      1.775302  0.4611458      2.656186  0.3263832E-01  2.386692  0.7609301      7.139555  
1 1 1 2  51 5  o 23.00982 6.606412  0.000000       0.000000  ?              ?         8.886159       3.200724  ?              ?         
1 1 1 2  51 6  o 16.97262 5.276762  0.000000       0.000000  ?              ?         4.231160       1.979032  ?              ?         
1 1 1 2  51 7  o 12.39108 5.332077  0.000000       0.000000  ?              ?         2.074424       2.390164  ?              ?         
1 1 1 2  51 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  52 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  52 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  52 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  52 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  52 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  53 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  53 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  53 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  53 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  53 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2  54 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  0  1  o 117.8190 2.012252  138.9989       4.733283  136.4754       6.573727  141.7158       6.820855  0.000000       0.000000  
1 1 1 3  0  2  o 361.4205 5.331253  1300.860       35.96235  1334.440       63.78951  1285.215       43.54141  0.000000       0.000000  
1 1 1 3  0  3  o 255.4935 3.065770  652.7791       15.63983  671.5587       22.74218  635.9285       21.54265  0.000000       0.000000  
1 1 1 3  0  4  o 134.2362 1.977782  181.7226       5.065240  184.7985       6.318885  176.1929       8.472342  0.000000       0.000000  
1 1 1 3  0  5  o 91.39006 1.137339  83.60278       2.077181  84.04505       2.961841  83.17473       2.913899  0.000000       0.000000  
1 1 1 3  0  6  o 93.23409 1.459051  83.87045       2.449214  79.99508       2.863379  94.43590       4.727875  0.000000       0.000000  
1 1 1 3  0  7  o 54.15873 1.248615  28.70284       1.324711  33.19493       2.134029  25.88671       1.689674  0.000000       0.000000  
1 1 1 3  0  8  f 114.4876 1.736715  132.8757       3.844014  138.0972       4.911574  124.6211       6.175426  0.000000       0.000000  
1 1 1 3  0  9  o 198.4806 2.411920  394.3265       9.566526  389.2878       13.38336  399.5908       13.67974  0.000000       0.000000  
1 1 1 3  0  10 o 74.13722 1.332199  55.72031       1.924152  58.29817       2.496697  51.94962       3.019588  0.000000       0.000000  
1 1 1 3  0  11 o 50.28362 1.235506  25.32307       1.237224  27.40779       1.793999  23.43226       1.708527  0.000000       0.000000  
1 1 1 3  0  12 o 167.8788 2.071067  282.2871       6.947361  283.8341       9.946508  280.8135       9.707939  0.000000       0.000000  
1 1 1 3  0  13 o 104.0093 1.396357  108.3707       2.895906  108.0469       4.235457  108.6550       3.968430  0.000000       0.000000  
1 1 1 3  0  14 o 35.50700 1.760523  12.80433       1.230138  11.08220       1.708201  14.65951       1.772962  0.000000       0.000000  
1 1 1 3  0  15 o 37.70750 2.022808  14.61743       1.486691  13.58202       2.246238  15.42457       1.983234  0.000000       0.000000  
1 1 1 3  0  16 o 14.63604 4.080765  2.297291       1.049795  4.683275       2.186531  1.582523       1.196753  0.000000       0.000000  
1 1 1 3  0  17 o 69.75560 1.972295  52.49807       2.182452  43.40950       4.645319  55.07241       2.472296  0.000000       0.000000  
1 1 1 3  0  18 o 6.953595 3.305552  -0.2386782     1.042298  -0.4558941     2.203874  -0.1760953     1.182958  0.000000       0.000000  
1 1 1 3  0  19 o 55.13490 1.597572  30.45108       1.519516  31.30129       3.051865  30.17084       1.752136  0.000000       0.000000  
1 1 1 3  0  20 o 46.89324 2.530397  25.35012       1.638734  19.21985       3.935806  26.63574       1.802397  0.000000       0.000000  
1 1 1 3  0  21 f 9.108910 3.978982  0.9413576      1.104867  0.1109383      3.028783  1.068825       1.186638  0.000000       0.000000  
1 1 1 3  0  22 o 6.010655 3.677491  0.3754441      0.8246278 0.3754441      0.8246278 0.3754441      0.8246278 0.000000       0.000000  
1 1 1 3  0  23 f 42.74866 1.454478  18.51971       1.240385  18.51971       1.240385  18.51971       1.240385  0.000000       0.000000  
1 1 1 3  0  24 o 26.66665 3.791351  9.706992       1.120686  7.744912       2.878125  10.05764       1.216712  0.000000       0.000000  
1 1 1 3  1  0  o 375.2392 4.497656  1409.601       33.71240  1381.845       46.72067  1439.750       48.69358  0.000000       0.000000  
1 1 1 3  1  1  o 355.4890 3.475184  1264.890       24.70279  1250.378       34.52003  1280.121       35.36535  -4.173340      6.950368  
1 1 1 3  1  2  o 198.4614 1.943047  393.9554       7.711545  397.5093       11.00461  390.5263       10.80955  1.758011       3.886094  
1 1 1 3  1  3  o 153.5173 1.413682  234.9630       4.277182  240.0911       6.674256  231.3893       5.571656  2.828918       2.827363  
1 1 1 3  1  4  o 281.2982 2.572792  793.7962       14.39228  772.9722       21.37276  811.0737       19.46785  -6.792999      5.145583  
1 1 1 3  1  5  o 336.6350 2.854425  1134.921       19.21685  1128.027       27.00055  1141.998       27.35640  -2.068237      5.708851  
1 1 1 3  1  6  o 356.8749 3.028418  1275.322       21.61521  1271.682       30.50626  1278.992       30.63117  -1.022217      6.056836  
1 1 1 3  1  7  o 136.2543 1.366423  185.6400       3.722893  183.2590       5.202895  188.1382       5.329310  -1.789810      2.732845  
1 1 1 3  1  8  o 203.5005 1.741740  414.0647       7.086704  420.5211       10.17605  407.9847       9.874960  3.078659       3.483480  
1 1 1 3  1  9  o 118.4475 1.143217  140.4701       2.686291  141.5347       3.585540  139.1080       4.055741  1.026543       2.286434  
1 1 1 3  1  10 o 308.0104 2.836291  945.5153       17.18653  973.8885       27.02701  926.2527       22.26900  7.657074       5.672582  
1 1 1 3  1  11 o 207.0741 1.925887  427.4752       7.848931  438.7823       12.31670  419.7437       10.18482  4.559509       3.851775  
1 1 1 3  1  12 o 51.76491 0.7714376 26.73109       0.7976075 25.24830       1.095704  28.40249       1.163303  -3.045933      1.542875  
1 1 1 3  1  13 o 161.7770 1.541685  261.3649       4.917542  258.0974       6.416739  266.0150       7.654839  -2.412140      3.083370  
1 1 1 3  1  14 o 69.28490 0.8351603 48.00574       1.156721  47.35999       1.606822  48.70037       1.666510  -0.9660339     1.670321  
1 1 1 3  1  15 o 100.5835 1.080015  100.7925       2.143935  98.42779       2.797704  104.1568       3.337073  -2.830223      2.160030  
1 1 1 3  1  16 o 109.3150 1.087218  119.1361       2.368731  125.5899       3.531266  113.8566       3.193870  5.352654       2.174436  
1 1 1 3  1  17 o 75.59575 1.091156  57.24184       1.648162  57.96502       2.389904  56.58595       2.275974  0.9039841      2.182313  
1 1 1 3  1  18 o 11.34232 2.716507  1.221001       0.7372206 1.407357       1.044491  1.035998       1.040694  1.100507       5.433013  
1 1 1 3  1  19 o 13.62364 2.843105  1.843606       0.8172522 2.573662       1.330850  1.401639       1.035491  3.669923       5.686209  
1 1 1 3  1  20 o 27.92953 1.883111  7.513442       1.014518  6.345796       1.248788  9.780015       1.739876  -5.948824      3.766222  
1 1 1 3  1  21 o 27.45771 1.356578  7.633563       0.7003609 7.700138       1.220583  7.600884       0.8551404 0.4236412E-01  2.713155  
1 1 1 3  1  22 o 12.10292 2.733230  1.554930       0.7061908 1.549353       1.312522  1.557203       0.8377923 0.3336334      5.466461  
1 1 1 3  1  23 o 22.71936 1.382475  5.357052       0.6259155 4.830241       0.8820905 5.891304       0.8882985 -2.329426      2.764950  
1 1 1 3  1  24 o 55.04195 1.079098  31.27551       1.187721  32.04296       1.686995  30.52121       1.672482  1.366947       2.158195  
1 1 1 3  2  0  o 294.5552 4.347100  863.9307       23.91499  885.3459       42.35651  853.9091       28.97536  0.000000       0.000000  
1 1 1 3  2  1  o 375.3867 3.177681  1410.506       23.85693  1406.385       33.64475  1414.674       33.83363  -1.101990      6.355362  
1 1 1 3  2  2  o 215.8206 1.976497  466.3059       8.453599  468.5776       11.23715  463.3440       12.83119  1.222992       3.952994  
1 1 1 3  2  3  o 264.8055 2.243256  701.5150       11.87998  705.5934       16.89944  697.5303       16.70392  1.520966       4.486512  
1 1 1 3  2  4  o 267.7887 2.784048  715.9026       14.00505  723.2946       24.49876  712.3142       17.06917  1.961304       5.568097  
1 1 1 3  2  5  o 101.9645 0.9190571 103.8506       1.811697  104.5059       2.975280  103.4645       2.283937  0.5063553      1.838114  
1 1 1 3  2  6  o 121.1615 1.133096  147.1403       2.727346  144.0096       4.077617  149.6747       3.668794  -2.340218      2.266192  
1 1 1 3  2  7  o 50.31017 0.8622673 24.16868       0.8471614 31.31393       1.390423  19.95015       1.068363  11.29264       1.724535  
1 1 1 3  2  8  o 43.42410 0.7438936 18.73500       0.6439234 17.26146       0.8695894 20.52387       0.9581252 -3.756260      1.487787  
1 1 1 3  2  9  o 275.5738 2.540450  758.7559       13.82325  752.4735       18.12169  767.4984       21.37726  -2.692902      5.080900  
1 1 1 3  2  10 o 260.5926 2.398340  681.3496       12.42056  664.3865       18.51549  695.2283       16.74786  -5.941956      4.796680  
1 1 1 3  2  11 o 167.4277 1.682322  280.4267       5.631667  284.4772       8.083843  276.6071       7.850060  2.346680       3.364645  
1 1 1 3  2  12 o 189.1290 1.641397  358.0718       6.208685  358.0529       8.793763  358.0905       8.767111  -0.1054382E-01 3.282794  
1 1 1 3  2  13 o 132.9169 1.299658  177.2108       3.428213  180.0848       4.592753  173.5946       5.151698  2.454849       2.599316  
1 1 1 3  2  14 o 64.19447 0.8361881 41.21234       1.073058  41.76378       1.545629  40.69925       1.490917  0.8279915      1.672376  
1 1 1 3  2  15 o 85.93292 0.9378606 73.90086       1.611853  73.57302       2.278006  74.22955       2.281007  -0.3819122     1.875721  
1 1 1 3  2  16 o 108.5213 1.176230  117.2451       2.504653  114.4460       3.224512  121.5027       3.976879  -3.217079      2.352461  
1 1 1 3  2  17 o 105.2880 1.235250  111.1908       2.600638  109.6799       3.697070  112.6707       3.658942  -1.423424      2.470499  
1 1 1 3  2  18 o 86.80757 0.9381238 75.54514       1.611295  75.60711       2.465918  75.49898       2.128555  0.2905273E-01  1.876248  
1 1 1 3  2  19 o 52.49527 1.126420  28.12300       1.056540  26.83531       1.987190  28.63046       1.247467  -1.847939      2.252840  
1 1 1 3  2  20 o 42.40248 1.514521  18.74318       1.173423  19.58167       1.417765  16.91968       2.090789  3.350925       3.029042  
1 1 1 3  2  21 o 36.68693 1.107824  13.71120       0.7792450 13.15894       1.287578  14.03039       0.9788627 -1.283360      2.215648  
1 1 1 3  2  22 o 37.87328 1.204451  14.66907       0.8570950 14.26394       1.481456  14.87290       1.050815  -0.9977875     2.408901  
1 1 1 3  2  23 o 18.69766 2.246868  3.648799       0.7507588 4.480677       1.417007  3.324152       0.8852139 1.968733       4.493736  
1 1 1 3  2  24 o 28.11278 1.247131  8.337425       0.6793633 8.658975       0.8715283 7.839465       1.084565  1.716789       2.494262  
1 1 1 3  3  0  o 404.8632 4.852955  1642.217       39.26684  1628.470       55.08400  1656.420       55.99049  0.000000       0.000000  
1 1 1 3  3  1  o 237.9625 2.085306  565.1525       9.576194  561.4221       12.03313  571.5955       15.81445  -2.111130      4.170612  
1 1 1 3  3  2  o 193.7999 1.645898  375.6793       6.379493  376.0546       9.029298  375.3051       9.014650  0.1933289      3.291796  
1 1 1 3  3  3  o 281.3658 2.384481  792.0248       13.41715  786.2794       18.83184  797.9479       19.12089  -2.071167      4.768961  
1 1 1 3  3  4  o 241.8717 2.369591  585.1680       11.45833  575.8030       15.94029  595.1808       16.48234  -3.999863      4.739182  
1 1 1 3  3  5  o 134.9003 1.206007  180.6639       3.119088  186.7868       5.257614  177.3386       3.874562  3.490585       2.412015  
1 1 1 3  3  6  o 109.3841 0.9895418 120.4367       2.118039  115.8012       3.327899  123.5929       2.745999  -3.564491      1.979084  
1 1 1 3  3  7  o 256.2332 2.580585  656.2669       11.93531  658.7737       22.38902  655.2717       14.10694  0.6046295      5.161170  
1 1 1 3  3  8  o 466.6556 4.271131  2182.150       39.48367  2172.521       60.05774  2189.479       52.39917  -1.913208      8.542261  
1 1 1 3  3  9  o 130.7571 1.158977  170.7958       3.028107  175.5733       4.397737  166.4886       4.175667  3.472824       2.317954  
1 1 1 3  3  10 o 152.7769 1.546338  233.4685       4.724201  235.3614       6.749292  231.6503       6.614797  1.213287       3.092675  
1 1 1 3  3  11 o 124.7979 1.217942  155.1649       2.990278  159.3051       4.699054  152.3474       3.876458  2.778175       2.435884  
1 1 1 3  3  12 o 259.3427 2.222131  673.8871       11.52582  675.5060       16.32913  672.2795       16.27097  0.6202393      4.444262  
1 1 1 3  3  13 o 175.3892 1.664803  306.2975       5.734614  299.0453       7.397478  317.2191       9.078050  -5.128891      3.329606  
1 1 1 3  3  14 o 51.51284 0.8305823 26.54043       0.8554032 26.25817       1.191257  26.84089       1.229075  -0.5648041     1.661165  
1 1 1 3  3  15 f 94.27942 0.9599329 88.92431       1.809659  86.55687       2.533230  91.39155       2.586077  -2.562447      1.919866  
1 1 1 3  3  16 o 122.2927 1.238235  149.7711       3.002862  150.1141       4.555095  149.5075       3.993486  0.2206573      2.476470  
1 1 1 3  3  17 o 63.64322 1.022367  40.43933       1.224011  41.00969       2.136950  40.16084       1.493232  0.6238136      2.044733  
1 1 1 3  3  18 o 43.84451 0.9520088 19.28652       0.8040274 19.23356       1.328732  19.31712       1.009903  -0.1269646     1.904018  
1 1 1 3  3  19 o 24.27065 1.728655  6.206573       0.7137477 5.533861       1.417275  6.435158       0.8261603 -2.026489      3.457311  
1 1 1 3  3  20 o 22.26002 2.417666  4.776722       0.9952967 4.258040       1.174464  6.098431       1.874809  -3.765934      4.835333  
1 1 1 3  3  21 o 33.73224 1.185829  11.51505       0.7527325 11.48507       1.306490  11.52995       0.9209483 -0.1948280     2.371658  
1 1 1 3  3  22 o 49.71748 1.095168  25.54656       1.048454  22.96732       1.681280  27.18785       1.341180  -4.383652      2.190337  
1 1 1 3  3  23 o 11.04329 2.646527  1.346045       0.6961249 1.187508       0.9439162 1.535090       1.030742  -1.116401      5.293053  
1 1 1 3  3  24 o 42.03018 1.272917  18.51474       1.029253  18.63937       1.295182  18.30114       1.695551  0.9047928      2.545833  
1 1 1 3  4  0  o 554.7025 6.656376  3083.678       73.75230  3151.239       106.5995  3021.644       102.1460  0.000000       0.000000  
1 1 1 3  4  1  o 147.7999 1.262693  218.4184       3.731677  221.2878       5.346215  215.6922       5.211151  1.892395       2.525385  
1 1 1 3  4  2  o 388.6633 3.401385  1511.369       25.57531  1508.837       32.29177  1515.631       41.89159  -0.7666931     6.802770  
1 1 1 3  4  3  o 316.7664 2.685610  1004.018       17.01266  1012.330       24.25826  995.9740       23.86562  2.577881       5.371221  
1 1 1 3  4  4  o 403.3477 3.419575  1629.646       27.58544  1626.159       38.94447  1633.158       39.07930  -0.8652039     6.839150  
1 1 1 3  4  5  o 244.4353 2.246688  596.6528       10.83818  589.5757       14.17858  606.6007       16.81026  -3.443054      4.493376  
1 1 1 3  4  6  o 232.0393 2.136121  538.1201       9.798539  542.9078       15.07757  534.6199       12.89212  1.763550       4.272241  
1 1 1 3  4  7  o 250.0636 2.733807  629.4490       13.57110  589.9131       20.07122  662.7466       18.41981  -14.57947      5.467615  
1 1 1 3  4  8  o 68.12585 0.9622611 45.71282       1.282512  49.69391       2.073993  43.24793       1.631942  4.729652       1.924522  
1 1 1 3  4  9  o 132.6154 1.210718  175.4231       3.104486  177.7498       5.105234  174.0579       3.910614  1.385910       2.421437  
1 1 1 3  4  10 o 128.5144 1.474600  164.5333       3.701414  168.3921       5.941381  162.0857       4.731871  2.442337       2.949200  
1 1 1 3  4  11 o 122.2798 1.132706  150.0351       2.697364  147.5366       4.321974  151.6291       3.452224  -1.682854      2.265411  
1 1 1 3  4  12 o 41.23826 0.8809680 16.97562       0.7242493 17.43545       1.074059  16.59220       0.9807721 1.021259       1.761936  
1 1 1 3  4  13 o 183.6666 1.648168  336.6501       5.836892  342.2282       9.669737  333.4525       7.321111  2.316254       3.296337  
1 1 1 3  4  14 o 46.37671 0.8962609 21.54149       0.8302948 20.99488       1.194728  22.05210       1.154722  -1.140709      1.792522  
1 1 1 3  4  15 o 38.10555 0.9483439 14.56146       0.6983577 14.41656       1.143234  14.64772       0.8820570 -0.3110199     1.896688  
1 1 1 3  4  16 o 117.7218 1.208974  137.8520       2.809456  144.6222       4.382687  133.1293       3.660474  4.846161       2.417948  
1 1 1 3  4  17 o 155.9346 1.714975  246.5679       5.154646  236.6334       8.416874  252.5301       6.520461  -5.314377      3.429950  
1 1 1 3  4  18 o 41.20182 0.9725213 17.03129       0.7742258 16.99478       1.270268  17.05288       0.9765863 -0.1003876     1.945043  
1 1 1 3  4  19 o 11.86617 2.559338  1.243299       0.6343771 2.181498       1.156000  0.8390135      0.7588480 4.790906       5.118675  
1 1 1 3  4  20 o 51.51540 1.355531  26.67213       1.293985  26.39453       1.556903  27.29226       2.326967  -0.6461868     2.711062  
1 1 1 3  4  21 o 25.39747 1.540499  6.954073       0.7171708 5.514581       1.218037  7.717916       0.8872752 -4.477539      3.080999  
1 1 1 3  4  22 o 7.673332 2.250164  0.2189962      0.5670907 0.2771185      0.7824223 0.1546737      0.8230976 0.1419630      4.500327  
1 1 1 3  4  23 o 23.36952 1.661384  6.014707       0.7371175 7.176042       0.9755489 4.469473       1.125298  5.956333       3.322767  
1 1 1 3  4  24 o 10.53627 2.827813  0.9882432      0.8124474 0.3901705      1.001427  2.139895       1.389643  -4.479362      5.655625  
1 1 1 3  5  0  o 107.2172 1.868675  115.1153       3.999916  117.3776       5.761272  113.0100       5.557691  0.000000       0.000000  
1 1 1 3  5  1  o 177.6250 1.514140  315.4680       5.377681  310.9855       7.505547  320.1968       7.708910  -2.591888      3.028281  
1 1 1 3  5  2  o 363.0547 3.075301  1318.606       22.32124  1341.694       32.11545  1297.030       31.04573  6.140137       6.150603  
1 1 1 3  5  3  o 226.1820 2.367446  507.3005       9.973888  499.4972       12.03193  524.4407       17.83217  -5.462524      4.734892  
1 1 1 3  5  4  o 76.76129 0.8107624 58.24446       1.234114  54.00864       1.622187  64.06454       1.901506  -6.548790      1.621525  
1 1 1 3  5  5  o 190.9254 1.883874  364.7207       7.192989  361.9985       10.09453  367.5286       10.25215  -1.446350      3.767748  
1 1 1 3  5  6  o 139.1300 1.714284  193.2732       4.762217  187.6053       6.514006  199.7804       6.979664  -4.371826      3.428569  
1 1 1 3  5  7  o 185.7726 1.877393  348.5479       6.402817  336.8375       11.55630  353.7350       7.691252  -4.572739      3.754786  
1 1 1 3  5  8  o 248.4769 2.192427  615.0001       10.49009  627.4587       17.45020  607.9503       13.12673  3.896744       4.384855  
1 1 1 3  5  9  o 170.0263 1.800002  290.4323       5.817854  285.2242       9.864586  293.2100       7.204148  -2.368774      3.600004  
1 1 1 3  5  10 o 104.2257 1.100218  108.4446       2.288953  111.8626       3.362934  105.4945       3.124353  3.053177       2.200436  
1 1 1 3  5  11 o 205.9772 1.906163  425.9854       7.825884  404.5523       11.36117  445.3371       10.79543  -9.911041      3.812325  
1 1 1 3  5  12 f 186.9156 1.678518  345.6341       5.984586  363.3886       10.23981  336.4235       7.375312  7.144638       3.357036  
1 1 1 3  5  13 o 168.5021 1.730509  287.6203       5.379389  275.9610       9.605079  292.9488       6.493284  -5.142334      3.461018  
1 1 1 3  5  14 o 113.7474 1.147914  129.7383       2.598911  126.9927       3.846900  132.0435       3.524992  -2.229454      2.295828  
1 1 1 3  5  15 o 55.02168 0.8500270 29.98234       0.9055020 31.51278       1.496636  29.09863       1.137270  2.184116       1.700054  
1 1 1 3  5  16 o 112.4472 1.115721  125.8807       2.424615  129.5109       4.006054  123.7822       3.045827  2.502777       2.231441  
1 1 1 3  5  17 o 116.9895 1.317436  136.3228       2.798526  139.7569       5.222734  134.9397       3.314523  1.886292       2.634872  
1 1 1 3  5  18 o 61.27876 0.9697164 37.59855       1.182745  38.23591       1.767888  37.08214       1.591320  0.9232712      1.939433  
1 1 1 3  5  19 o 36.25397 1.186302  13.58547       0.7836726 12.37713       1.408416  14.12734       0.9431608 -2.511467      2.372604  
1 1 1 3  5  20 o 33.83522 1.274968  11.62383       0.8557408 13.33157       1.211292  9.922240       1.209111  5.037525       2.549937  
1 1 1 3  5  21 o 28.98809 1.309328  8.193654       0.7314352 9.754151       1.249030  7.379217       0.9023401 3.961636       2.618656  
1 1 1 3  5  22 o 24.27199 1.339011  6.022634       0.6485469 6.376179       0.9080516 5.654500       0.9265972 1.496511       2.678022  
1 1 1 3  5  23 o 15.43580 2.355169  2.805794       0.7181646 3.462825       0.9607286 1.973679       1.081185  5.065627       4.710338  
1 1 1 3  5  24 o 16.32024 2.686234  3.223878       0.8478239 2.880082       1.089990  3.750487       1.349012  -1.904049      5.372468  
1 1 1 3  6  0  o 60.75309 1.009645  37.40306       1.170023  35.48523       1.944975  38.49066       1.464679  0.000000       0.000000  
1 1 1 3  6  1  o 173.0042 1.477169  299.3640       5.111107  300.0437       7.241724  298.6894       7.214743  0.3912659      2.954338  
1 1 1 3  6  2  o 250.7855 2.129787  629.1176       10.68115  635.2334       15.24695  623.2236       14.96778  2.392349       4.259574  
1 1 1 3  6  3  o 276.7763 2.874463  768.0997       15.04058  770.7592       18.48659  762.8922       25.86813  1.511108       5.748925  
1 1 1 3  6  4  o 188.6468 1.669546  354.4914       6.060095  350.3997       7.575280  361.7647       10.09978  -2.984970      3.339092  
1 1 1 3  6  5  o 179.9301 1.782650  323.7711       6.412961  318.3494       8.931860  329.5397       9.213276  -3.106659      3.565299  
1 1 1 3  6  6  o 422.4881 3.866564  1791.763       32.45137  1820.295       43.63313  1756.446       48.54520  7.638519       7.733127  
1 1 1 3  6  7  o 76.88084 1.064270  57.88736       1.612469  66.22453       2.560113  52.40520       2.075990  8.985786       2.128539  
1 1 1 3  6  8  o 209.8541 2.188546  445.9335       8.863779  419.3766       14.35423  462.3010       11.26892  -10.24858      4.377093  
1 1 1 3  6  9  o 116.5486 1.282821  137.2068       2.898766  130.1923       4.653068  141.6558       3.705733  -4.923203      2.565642  
1 1 1 3  6  10 o 174.4829 1.741359  304.5001       6.074502  309.2382       8.733970  300.0607       8.454146  2.626373       3.482718  
1 1 1 3  6  11 o 82.86044 0.9577587 68.58154       1.586096  65.62669       2.197208  71.79668       2.291948  -3.722168      1.915517  
1 1 1 3  6  12 o 77.45210 0.8932555 60.15528       1.379856  57.46891       1.998613  62.60206       1.907402  -3.314949      1.786511  
1 1 1 3  6  13 o 125.8383 1.342715  158.9981       3.089313  157.3138       5.649316  159.7167       3.689911  -1.005859      2.685430  
1 1 1 3  6  14 o 187.7122 1.686928  352.6817       6.129960  354.6428       10.03088  351.5128       7.744285  0.7369537      3.373857  
1 1 1 3  6  15 o 53.46831 1.010903  29.23529       0.9763249 27.15600       1.792484  30.11237       1.164168  -2.784527      2.021807  
1 1 1 3  6  16 o 29.45988 1.254151  8.503220       0.6986671 9.280017       1.227300  8.130788       0.8498052 1.929905       2.508301  
1 1 1 3  6  17 f 35.83673 1.185106  13.25879       0.7890452 11.81941       1.361986  13.98595       0.9680466 -3.056377      2.370212  
1 1 1 3  6  18 o 17.37738 1.792937  3.012954       0.6046905 2.904921       0.7615480 3.197282       0.9947515 -0.7964859     3.585874  
1 1 1 3  6  19 o 24.05059 1.387918  5.706986       0.6259440 5.467842       0.7556123 6.230020       1.117464  -1.493086      2.775835  
1 1 1 3  6  20 o 35.63282 1.083757  12.83338       0.7696404 12.13073       1.115724  13.47126       1.063057  -1.893925      2.167514  
1 1 1 3  6  21 o 8.692606 2.326728  0.4635036      0.6288289 -0.7056801     1.059994  1.098425       0.7811278 -3.247068      4.653456  
1 1 1 3  6  22 o 12.20518 2.347326  1.661402       0.5978206 1.984726       0.8106665 1.275958       0.8851240 2.517064       4.694652  
1 1 1 3  6  23 o 29.37395 1.300075  8.949319       0.7623969 8.607100       1.096549  9.269546       1.060727  -1.162270      2.600149  
1 1 1 3  6  24 o 9.521091 2.723382  0.7725904      0.7960820 1.171922       1.238242  0.4912383      1.039354  1.824058       5.446764  
1 1 1 3  7  0  o 240.2106 2.891310  577.2720       13.87265  590.3691       20.05503  565.2554       19.21002  0.000000       0.000000  
1 1 1 3  7  1  o 259.9901 2.211377  676.2144       11.49808  681.4996       16.36610  671.0630       16.15740  2.005493       4.422753  
1 1 1 3  7  2  o 157.6731 1.657955  248.3793       4.923350  247.7851       6.019156  249.5804       8.557979  -0.5534668     3.315909  
1 1 1 3  7  3  o 58.98417 0.7645745 34.20168       0.8681417 32.71687       1.078417  36.93565       1.463353  -3.574692      1.529149  
1 1 1 3  7  4  o 353.2191 3.242509  1248.037       22.61209  1263.403       34.98701  1237.014       29.63251  3.617157       6.485019  
1 1 1 3  7  5  f 341.9105 3.001573  1167.765       19.80825  1159.771       24.89566  1181.555       32.70005  -3.060211      6.003146  
1 1 1 3  7  6  o 55.48891 0.8745326 29.23454       0.9392667 24.99924       1.162712  37.18994       1.593533  -10.98325      1.749065  
1 1 1 3  7  7  f 281.8743 2.466585  801.3644       13.65563  831.9791       17.90306  758.7743       21.11623  13.00992       4.933169  
1 1 1 3  7  8  o 364.9726 3.351492  1332.633       24.18561  1327.800       31.86143  1339.204       37.15213  -1.501923      6.702983  
1 1 1 3  7  9  o 265.0154 2.912097  706.4746       15.24626  680.2065       23.22418  726.3694       20.21134  -8.749329      5.824195  
1 1 1 3  7  10 o 234.9419 2.175871  551.8089       10.09571  547.9287       13.24570  557.1876       15.59530  -1.931076      4.351743  
1 1 1 3  7  11 o 257.4092 2.282446  660.3718       11.30480  675.6479       18.84971  651.7908       14.12747  4.517044       4.564892  
1 1 1 3  7  12 o 291.3990 2.495472  850.9333       14.53750  865.7792       20.92552  837.0836       20.21133  4.897125       4.990944  
1 1 1 3  7  13 o 46.41312 0.7969131 21.76511       0.7309561 19.83739       1.091426  23.33301       0.9843085 -3.767525      1.593826  
1 1 1 3  7  14 o 23.46861 1.201774  5.528826       0.5625108 5.181953       0.8078266 5.855324       0.7837411 -1.435358      2.403548  
1 1 1 3  7  15 o 94.58618 1.068512  89.41306       2.017920  91.97750       2.956411  87.17619       2.761128  2.531181       2.137024  
1 1 1 3  7  16 o 79.78388 0.9404789 63.53054       1.474030  64.77084       2.323557  62.69522       1.906854  1.282623       1.880958  
1 1 1 3  7  17 o 53.17646 0.8541517 28.30889       0.9042366 28.48022       1.346747  28.16826       1.220170  0.2846870      1.708303  
1 1 1 3  7  18 o 42.27087 0.8532452 17.89174       0.7209399 17.40664       0.9991887 18.41854       1.041237  -1.192947      1.706490  
1 1 1 3  7  19 o 35.93330 1.055635  13.08121       0.7259361 13.32348       0.9083982 12.65308       1.207586  0.9897919      2.111270  
1 1 1 3  7  20 o 8.619467 2.396094  0.4369183      0.6186051 0.7488283      0.8565478 0.9686526E-01  0.8943560 1.551903       4.792188  
1 1 1 3  7  21 o 33.80420 1.161525  11.68084       0.7647384 11.07340       1.211218  12.08351       0.9861566 -1.580997      2.323051  
1 1 1 3  7  22 o 33.34106 1.119493  11.31681       0.7444977 11.52193       1.021940  11.08482       1.086810  0.6898003      2.238986  
1 1 1 3  7  23 o 10.73532 2.611239  1.286483       0.6829494 1.079972       0.9682700 1.490931       0.9634208 -1.230350      5.222478  
1 1 1 3  7  24 o 11.06821 2.728559  1.430160       0.8042684 0.5561273      1.218998  2.103929       1.070274  -3.832327      5.457119  
1 1 1 3  8  0  o 398.2079 4.786320  1585.881       38.03887  1535.125       52.11999  1643.729       55.64282  0.000000       0.000000  
1 1 1 3  8  1  o 532.4279 4.886966  2832.685       51.27475  2788.046       66.77244  2896.835       80.04597  -9.967102      9.773932  
1 1 1 3  8  2  o 139.1060 1.204518  193.5025       3.350627  195.6942       4.788156  191.3995       4.690363  1.543152       2.409035  
1 1 1 3  8  3  o 258.2059 2.373584  667.1236       12.12464  669.0044       18.57586  665.7277       16.00383  0.5965881      4.747167  
1 1 1 3  8  4  o 171.9117 1.811316  294.5304       5.838050  299.1083       10.26456  292.3414       7.097891  1.931290       3.622631  
1 1 1 3  8  5  o 293.9781 2.697549  866.7298       15.74778  879.3886       21.13638  850.9348       23.60978  4.872101       5.395097  
1 1 1 3  8  6  o 373.6527 3.750848  1399.688       25.36770  1401.549       30.06182  1395.083       47.27686  1.109253       7.501695  
1 1 1 3  8  7  o 250.4730 2.209067  628.8827       10.73986  632.8985       13.65615  622.3719       17.38809  2.125656       4.418133  
1 1 1 3  8  8  o 195.8635 1.692292  383.3190       6.623677  393.6215       9.606640  373.9828       9.144990  5.010483       3.384583  
1 1 1 3  8  9  o 277.5213 2.898183  771.2433       15.17049  770.4981       26.25141  771.6169       18.58871  -0.3064575     5.796366  
1 1 1 3  8  10 o 244.9934 2.097109  600.7452       10.27454  595.2759       14.40771  606.4046       14.65626  -2.266953      4.194218  
1 1 1 3  8  11 o 185.9341 1.983991  341.8909       6.833933  357.4474       12.37323  335.0622       8.197754  5.924820       3.967982  
1 1 1 3  8  12 o 219.9218 1.892081  484.4017       8.322048  486.1934       11.81168  482.6356       11.72709  0.8063965      3.784161  
1 1 1 3  8  13 o 159.6979 1.810950  255.9250       5.674090  257.4702       7.355197  253.6539       8.917281  1.257248       3.621901  
1 1 1 3  8  14 o 55.58889 0.8489926 30.72197       0.9309306 32.06767       1.454769  29.78878       1.211448  2.044392       1.697985  
1 1 1 3  8  15 o 70.43793 0.8631450 49.16640       1.201470  46.71531       1.565933  52.67440       1.873370  -4.221146      1.726290  
1 1 1 3  8  16 o 62.56187 0.9060745 39.60032       1.118699  36.12819       1.680051  42.36613       1.499464  -4.993561      1.812149  
1 1 1 3  8  17 o 87.51114 0.9059179 76.63505       1.584171  74.43842       2.185286  79.06796       2.299811  -2.636139      1.811836  
1 1 1 3  8  18 o 24.54075 1.211911  6.086628       0.5909250 6.776754       0.8271347 5.367177       0.8445249 2.874353       2.423822  
1 1 1 3  8  19 o 22.40097 1.229853  5.044187       0.5494301 5.609115       0.7978564 4.534668       0.7577193 2.389101       2.459706  
1 1 1 3  8  20 o 8.782068 2.326827  0.6125039      0.5597889 0.8113229      0.7331246 0.3345012      0.8669087 0.9896402      4.653653  
1 1 1 3  8  21 o 9.464520 2.363734  0.8091952      0.5756626 0.4204670      0.8089876 1.207927       0.8193306 -2.474452      4.727468  
1 1 1 3  8  22 o 7.431126 2.284181  -0.3337627E-01 0.6386252 0.1976405      0.8539659 -0.3265121     0.9619516 0.6057630      4.568363  
1 1 1 3  8  23 o 14.45721 2.277173  2.404826       0.6801546 1.323341       0.9508454 3.538031       0.9733159 -7.289240      4.554346  
1 1 1 3  8  24 f 9.053083 2.627543  0.6490182      0.7630180 0.7574487      1.093648  0.5461821      1.065060  0.5107527      5.255086  
1 1 1 3  9  0  o 24.33688 1.402828  6.014870       0.6608395 7.650704       0.9757879 4.628936       0.8981664 0.000000       0.000000  
1 1 1 3  9  1  o 214.2403 1.976258  459.8724       8.401415  453.9657       12.65907  464.5219       11.23142  -2.476944      3.952516  
1 1 1 3  9  2  o 146.3610 1.368611  214.2074       3.963480  214.7834       6.068307  213.7788       5.234159  0.3366547      2.737221  
1 1 1 3  9  3  o 51.98366 0.7081527 27.35321       0.7068630 25.81871       1.159796  28.26006       0.8915945 -2.349464      1.416305  
1 1 1 3  9  4  o 187.8146 1.741613  352.4903       6.462905  355.6609       9.964712  350.1882       8.491006  1.442078       3.483225  
1 1 1 3  9  5  f 351.7159 3.666271  1238.504       24.30589  1237.229       29.75281  1241.064       42.14356  -0.3448792     7.332543  
1 1 1 3  9  6  o 311.4050 2.735385  969.9943       16.48808  968.5816       20.83554  972.3614       26.96902  -0.5469055     5.470770  
1 1 1 3  9  7  o 382.0174 3.844658  1459.760       26.52280  1457.881       31.36088  1464.479       49.70421  -0.6600342     7.689317  
1 1 1 3  9  8  o 331.2691 2.914653  1095.434       18.61873  1087.221       23.36624  1109.716       30.81477  -3.309784      5.829306  
1 1 1 3  9  9  o 289.7904 2.855739  840.3987       16.54513  826.8501       23.02183  854.8712       23.79397  -4.823151      5.711478  
1 1 1 3  9  10 o 172.1291 1.617828  297.2556       5.537529  288.5998       8.218711  304.4519       7.493878  -4.614807      3.235657  
1 1 1 3  9  11 o 51.51001 1.020480  26.29848       1.031952  25.32977       1.326470  27.78364       1.642441  -2.377945      2.040959  
1 1 1 3  9  12 o 102.6333 0.9707626 105.3218       1.991747  103.5082       2.767027  107.2719       2.869265  -1.831947      1.941525  
1 1 1 3  9  13 o 141.4567 1.367324  199.0210       3.797897  193.6219       4.893406  207.2000       6.022876  -4.762604      2.734648  
1 1 1 3  9  14 f 107.7417 1.104632  115.9739       2.348040  114.8934       3.070880  117.4946       3.643265  -1.190239      2.209265  
1 1 1 3  9  15 o 181.6371 1.711895  331.3475       6.172964  335.0883       8.269431  326.6396       9.276960  2.384293       3.423789  
1 1 1 3  9  16 o 93.04875 1.022562  86.99718       1.883857  84.68107       2.854037  88.78537       2.507776  -2.224831      2.045124  
1 1 1 3  9  17 o 68.85954 0.8231245 47.49493       1.133539  47.98030       1.613229  47.02161       1.593092  0.6945953      1.646249  
1 1 1 3  9  18 o 77.10215 0.8540736 59.59989       1.317007  59.68040       1.859501  59.51884       1.865574  0.1054230      1.708147  
1 1 1 3  9  19 o 23.89636 1.204017  5.763478       0.5743684 6.152380       0.8111392 5.372382       0.8134249 1.632576       2.408033  
1 1 1 3  9  20 o 17.42289 1.720872  3.210534       0.5637416 4.100367       0.7927915 2.300395       0.8017866 5.377913       3.441744  
1 1 1 3  9  21 o 37.78383 0.9675716 14.40071       0.7307024 13.82528       1.012723  15.02558       1.055332  -1.572777      1.935143  
1 1 1 3  9  22 o 12.82757 2.601887  1.975886       0.7140915 2.313649       0.8697401 1.277225       1.250882  3.174472       5.203773  
1 1 1 3  9  23 o 16.03636 2.175850  2.889412       0.6799489 3.550475       0.9776005 2.269941       0.9463469 4.185539       4.351700  
1 1 1 3  9  24 o 23.27325 1.850100  6.016730       0.8466122 6.440082       1.131311  5.477873       1.276347  2.339977       3.700199  
1 1 1 3  10 0  o 253.2287 3.054405  642.1648       15.45672  635.4625       21.62712  649.1626       22.09872  0.000000       0.000000  
1 1 1 3  10 1  o 181.5352 1.683452  330.3541       6.067989  324.1580       9.101320  335.3123       8.141536  -3.082047      3.366904  
1 1 1 3  10 2  o 247.8546 3.361874  609.3868       13.13194  625.8693       30.14020  605.5248       14.58951  3.768051       6.723747  
1 1 1 3  10 3  o 328.4620 3.017277  1080.015       19.60018  1084.914       30.07788  1076.400       25.83997  1.214294       6.034554  
1 1 1 3  10 4  o 158.1403 1.477676  250.5514       4.637480  253.3993       6.204353  246.9461       6.980883  2.046173       2.955351  
1 1 1 3  10 5  o 466.7064 4.280097  2180.670       39.48552  2168.932       51.95695  2196.718       60.75042  -2.822113      8.560193  
1 1 1 3  10 6  o 445.7844 3.896944  1998.619       33.87784  2029.861       43.52242  1950.584       53.96546  9.024078       7.793888  
1 1 1 3  10 7  o 263.4586 2.324939  694.1977       11.85455  693.4946       14.97841  695.3763       19.39416  -0.3253784     4.649879  
1 1 1 3  10 8  o 253.4632 2.337105  644.4390       11.77220  657.9297       15.87557  627.9594       17.54633  5.928726       4.674210  
1 1 1 3  10 9  o 240.0538 2.226174  576.3362       10.56907  574.0112       13.93199  579.4882       16.22182  -1.110092      4.452347  
1 1 1 3  10 10 o 139.6426 1.444915  194.5356       4.026636  186.9675       5.479813  203.4181       5.936624  -5.884232      2.889830  
1 1 1 3  10 11 o 73.03494 0.8794318 53.38077       1.275277  53.56063       1.705507  53.15266       1.920624  0.2817917      1.758864  
1 1 1 3  10 12 f 82.03392 0.9240131 67.24554       1.502631  67.90777       2.287026  66.74254       1.993224  0.7054977      1.848026  
1 1 1 3  10 13 o 59.61373 0.7981991 35.55545       0.9516273 35.73899       1.341496  35.36955       1.350154  0.3100319      1.596398  
1 1 1 3  10 14 o 150.6873 1.451376  227.3019       4.323753  226.5107       5.694287  228.3791       6.644525  -0.5815887     2.902751  
1 1 1 3  10 15 o 62.73609 0.9367806 38.94136       1.168609  34.87583       1.557178  44.18335       1.768185  -7.411129      1.873561  
1 1 1 3  10 16 o 51.66180 0.8396971 26.68457       0.8665034 27.41970       1.263835  26.03248       1.190309  1.338871       1.679394  
1 1 1 3  10 17 o 66.36602 0.8890356 44.19458       1.166660  44.51834       1.541469  43.76045       1.785008  0.5916290      1.778071  
1 1 1 3  10 18 o 31.07275 0.9875375 9.699651       0.6129622 10.19151       0.8635066 9.200077       0.8702516 1.596197       1.975075  
1 1 1 3  10 19 o 35.77297 0.9158027 12.77140       0.6526541 11.38578       0.8848807 14.42441       0.9664942 -4.231544      1.831605  
1 1 1 3  10 20 o 42.73417 0.9390531 18.26447       0.7903859 17.72797       1.025106  19.05097       1.241183  -1.494080      1.878106  
1 1 1 3  10 21 o 9.545485 2.362154  0.8574999      0.5582033 0.6558022      0.7535836 1.102712       0.8309060 -1.616782      4.724308  
1 1 1 3  10 22 o 14.63799 2.615116  2.214533       0.7246549 1.727608       0.8658116 3.353464       1.324163  -4.594069      5.230232  
1 1 1 3  10 23 o 8.094974 2.488873  0.1404650      0.7290105 0.1889039      0.9116378 0.5454758E-01  1.214131  -0.6815791     4.977746  
1 1 1 3  10 24 o 7.843097 2.431427  0.1595064      0.7288516 0.1264000      1.043467  0.1910470      1.018491  -0.4469395E-01 4.862854  
1 1 1 3  11 0  f 262.8215 3.896070  690.3297       19.19568  699.4248       33.65974  685.9461       23.36816  0.000000       0.000000  
1 1 1 3  11 1  o 293.0912 3.225798  858.6913       18.46298  870.2341       29.58032  851.3245       23.63131  3.095490       6.451596  
1 1 1 3  11 2  o 45.26140 0.6588189 20.58964       0.5919634 21.46807       0.8005717 19.53000       0.8792780 2.141312       1.317638  
1 1 1 3  11 3  o 107.9892 1.047795  116.8701       2.246788  118.6819       3.015527  114.6092       3.368585  1.887726       2.095589  
1 1 1 3  11 4  o 251.5036 2.145262  632.8507       10.78997  637.6972       15.37628  628.1488       15.14500  1.895996       4.290524  
1 1 1 3  11 5  o 131.9411 1.259596  174.0189       3.287250  173.4750       4.335570  174.7544       5.041668  -0.4814453     2.519192  
1 1 1 3  11 6  o 204.1703 2.025353  416.9081       8.268952  421.8103       11.82589  412.2185       11.56655  2.347397       4.050706  
1 1 1 3  11 7  o 202.0774 2.080065  400.2987       7.396642  391.5706       8.567705  425.8412       14.65660  -8.437088      4.160131  
1 1 1 3  11 8  o 349.5522 3.213984  1221.911       22.19448  1213.625       29.14771  1233.345       34.23882  -2.747803      6.427969  
1 1 1 3  11 9  o 214.0270 1.899097  460.6080       7.929353  468.7306       10.19838  448.1918       12.60891  4.830154       3.798195  
1 1 1 3  11 10 f 244.9019 2.427829  600.7040       11.89081  604.9352       16.93408  596.5887       16.70064  1.698486       4.855658  
1 1 1 3  11 11 o 182.5508 1.591489  333.4652       5.808912  328.9302       8.100135  338.2671       8.334985  -2.552094      3.182977  
1 1 1 3  11 12 o 30.22032 1.264274  8.910566       0.7516909 7.938469       0.9629562 10.42687       1.202664  -4.111500      2.528548  
1 1 1 3  11 13 o 256.4326 2.204994  658.4149       11.28960  683.7800       16.55644  636.3713       15.43436  9.181396       4.409987  
1 1 1 3  11 14 o 102.4400 1.260601  105.5912       2.557298  101.0996       3.851931  109.1313       3.419666  -3.936050      2.521201  
1 1 1 3  11 15 o 38.31871 1.044666  14.61242       0.7957506 13.96026       1.059076  15.45792       1.205886  -1.948700      2.089331  
1 1 1 3  11 16 o 37.82487 1.023051  14.38084       0.7688931 13.89280       1.143886  14.78308       1.038496  -1.183784      2.046102  
1 1 1 3  11 17 o 21.18450 1.431858  4.513964       0.6061518 4.273352       0.8520008 4.760572       0.8625528 -1.148443      2.863716  
1 1 1 3  11 18 o 54.15206 0.9202009 29.28278       0.9870896 28.49148       1.300870  30.35673       1.515492  -1.696362      1.840402  
1 1 1 3  11 19 o 69.33018 0.9121081 48.38182       1.253558  47.76357       1.896764  48.86127       1.670342  -0.8361282     1.824216  
1 1 1 3  11 20 o 8.813384 2.180214  0.6934090      0.5188181 1.120731       0.6469287 -0.7677896E-01 0.8685141 2.943668       4.360429  
1 1 1 3  11 21 o 19.73053 1.628523  4.025368       0.6310225 4.965908       0.9035732 3.129951       0.8816324 4.639978       3.257046  
1 1 1 3  11 22 o 8.557522 2.395364  0.4993725      0.6256242 0.8577096      0.8682879 0.1124811      0.9022198 1.773870       4.790729  
1 1 1 3  11 23 o 16.50387 2.333606  3.068901       0.7544325 3.927135       1.139626  2.399365       1.006576  4.612216       4.667213  
1 1 1 3  11 24 o 25.03478 1.700843  6.691915       0.8079856 6.235240       0.9850580 7.630930       1.412520  -1.880766      3.401686  
1 1 1 3  12 0  o 151.7303 2.288044  231.4960       6.576303  233.3594       8.119566  227.9427       11.21236  0.000000       0.000000  
1 1 1 3  12 1  o 173.3018 1.614248  301.2393       5.562359  308.1927       7.521662  292.8471       8.263263  4.434753       3.228495  
1 1 1 3  12 2  f 143.4333 1.353170  206.0406       3.848776  207.7567       5.131096  203.8330       5.819687  1.372925       2.706340  
1 1 1 3  12 3  o 215.4107 1.993833  464.3019       8.502297  464.5101       11.25108  464.0249       12.98194  0.1290741      3.987666  
1 1 1 3  12 4  o 383.3887 3.523441  1466.832       26.60979  1442.998       34.61517  1501.265       41.60570  -7.498260      7.046883  
1 1 1 3  12 5  o 98.98845 0.9231811 97.91533       1.826537  100.1442       2.640248  95.86948       2.529534  2.158836       1.846362  
1 1 1 3  12 6  f 329.8472 2.807891  1088.712       18.52347  1089.343       26.17676  1088.079       26.21556  0.1919556      5.615781  
1 1 1 3  12 7  o 463.4244 3.935087  2151.230       36.47231  2150.645       51.56213  2151.816       51.59715  -0.1258545     7.870174  
1 1 1 3  12 8  o 103.0125 1.130154  108.6391       2.207103  114.7095       2.760907  97.89127       3.673709  8.168007       2.260308  
1 1 1 3  12 9  o 156.8374 1.496851  245.9363       4.641139  245.0113       6.111323  247.1967       7.133784  -0.6846466     2.993701  
1 1 1 3  12 10 o 175.0264 1.968567  307.5546       6.793558  311.9466       8.925056  301.5045       10.47511  3.015701       3.937134  
1 1 1 3  12 11 f 65.38178 0.8225557 42.74936       1.075469  41.91862       1.508029  43.60918       1.534194  -1.292526      1.645111  
1 1 1 3  12 12 o 47.94252 0.8385938 22.84695       0.8006631 21.48578       1.073588  24.55279       1.201854  -3.196556      1.677188  
1 1 1 3  12 13 o 149.5783 1.450032  222.7965       4.259586  217.5706       5.494525  230.6681       6.743431  -4.332794      2.900064  
1 1 1 3  12 14 o 97.49268 1.055448  94.84895       2.031639  96.93526       3.149908  93.36280       2.658530  1.816216       2.110896  
1 1 1 3  12 15 o 52.56286 0.9682841 27.62890       1.000736  27.80608       1.568091  27.50715       1.299858  0.2745171      1.936568  
1 1 1 3  12 16 o 26.60440 1.396457  7.102405       0.7380897 7.112226       1.109953  7.094618       0.9882482 0.2202034E-01  2.792913  
1 1 1 3  12 17 o 39.05928 0.9214340 15.27367       0.7188855 14.91514       0.9874883 15.67793       1.048575  -0.9706421     1.842868  
1 1 1 3  12 18 o 16.62696 1.904948  2.871236       0.6005772 2.009437       0.8277601 3.829172       0.8727102 -5.690566      3.809895  
1 1 1 3  12 19 o 36.13316 1.148772  13.23354       0.8210874 12.60977       1.239986  13.72063       1.095734  -1.572247      2.297544  
1 1 1 3  12 20 o 24.20852 1.413430  5.825978       0.6653623 6.503241       1.099121  5.434230       0.8359318 2.100710       2.826861  
1 1 1 3  12 21 o 31.69959 1.159923  10.11624       0.7324179 11.41114       1.088157  9.043708       0.9903310 3.691284       2.319845  
1 1 1 3  12 22 o 26.79631 1.290490  7.387373       0.6908165 7.074572       0.9497054 7.738852       1.006709  -1.191101      2.580980  
1 1 1 3  12 23 f 17.27506 2.491998  3.957696       0.8149722 2.148245       1.353856  4.985979       1.020599  -8.585988      4.983997  
1 1 1 3  12 24 o 36.39835 1.556951  14.37903       1.120412  11.74887       1.537549  17.35694       1.636037  -7.505493      3.113903  
1 1 1 3  13 0  o 174.6352 2.138468  304.6569       7.450824  294.3340       10.17820  316.5759       10.93676  0.000000       0.000000  
1 1 1 3  13 1  o 296.0868 2.522744  877.4713       14.93875  874.5964       21.05113  880.3876       21.20286  -0.9759827     5.045488  
1 1 1 3  13 2  o 115.8430 1.203534  133.5747       2.777983  127.2023       3.738595  141.4305       4.151014  -6.138786      2.407068  
1 1 1 3  13 3  o 516.6494 4.383508  2675.364       45.29419  2667.326       63.86620  2683.498       64.24680  -1.557983      8.767016  
1 1 1 3  13 4  o 152.0152 1.331178  231.1244       4.047112  230.3826       5.702825  231.8771       5.744363  -0.4913635     2.662357  
1 1 1 3  13 5  o 437.1398 3.710150  1913.157       32.43685  1917.917       45.97837  1908.442       45.76762  1.081421       7.420300  
1 1 1 3  13 6  o 300.0949 2.768146  896.5839       16.33368  925.8807       25.74660  876.8512       21.13014  8.127960       5.536293  
1 1 1 3  13 7  o 384.9541 3.535274  1486.784       27.00722  1506.471       36.14863  1461.912       40.63110  5.854401       7.070548  
1 1 1 3  13 8  o 238.4254 2.593304  568.7662       12.36619  568.7662       12.36619  ?              ?         ?              ?         
1 1 1 3  13 9  o 300.7069 2.772772  907.0720       16.54053  915.1362       22.08535  896.7706       24.96151  3.121887       5.545545  
1 1 1 3  13 10 f 72.09822 0.9454114 52.11903       1.252508  52.30722       1.501212  51.68795       2.272066  0.4379349      1.890823  
1 1 1 3  13 11 o 141.0089 1.470839  199.0198       4.147970  200.4692       5.874477  197.5786       5.857791  1.024597       2.941678  
1 1 1 3  13 12 o 93.85537 1.122857  89.55200       2.060495  80.60179       3.178013  96.04303       2.706427  -8.237015      2.245713  
1 1 1 3  13 13 o 127.6335 1.274605  162.7896       3.208974  161.2845       4.195039  164.9124       4.982138  -1.395790      2.549210  
1 1 1 3  13 14 f 92.30360 0.9571404 84.95674       1.761955  81.34593       2.385889  89.28819       2.613150  -4.295227      1.914281  
1 1 1 3  13 15 o 137.9393 1.354829  191.2245       3.726982  179.2875       5.356846  202.4237       5.188673  -8.395752      2.709657  
1 1 1 3  13 16 o 130.2977 1.388303  170.3922       3.617808  169.8478       5.101038  170.9433       5.131807  -0.4175110     2.776605  
1 1 1 3  13 17 o 32.73575 1.038327  10.76594       0.6772163 10.93795       0.9226078 10.56499       0.9971916 0.5777931      2.076653  
1 1 1 3  13 18 o 54.12312 0.8130375 29.40067       0.8795063 30.24450       1.234561  28.53107       1.253269  1.585354       1.626075  
1 1 1 3  13 19 o 45.14497 0.9558774 20.51513       0.8619391 21.09736       1.200119  19.89483       1.238730  1.339634       1.911755  
1 1 1 3  13 20 o 41.78263 0.9114624 17.59020       0.7609468 18.33276       1.071038  16.83331       1.081318  1.797016       1.822925  
1 1 1 3  13 21 o 59.79465 1.082132  35.97010       1.289140  39.36630       1.928420  33.22617       1.733375  5.049347       2.164265  
1 1 1 3  13 22 o 31.80998 1.180880  10.39676       0.7498131 10.50131       1.032120  10.27991       1.091131  0.3954029      2.361759  
1 1 1 3  13 23 o 11.28891 2.620864  1.467990       0.6972740 1.017596       0.9426883 2.012074       1.036107  -3.035997      5.241729  
1 1 1 3  13 24 o 8.881702 2.549278  0.7023748      0.7275168 0.2447211      1.030228  1.157613       1.027506  -1.998522      5.098556  
1 1 1 3  14 0  o 414.0027 4.983297  1718.158       41.23457  1726.124       58.52059  1710.304       58.11053  0.000000       0.000000  
1 1 1 3  14 1  o 189.6076 1.635550  359.3145       6.198023  351.5424       8.576251  367.8119       8.967490  -4.287491      3.271100  
1 1 1 3  14 2  o 260.8117 2.226789  680.6171       11.61534  678.7885       16.38342  682.4650       16.47006  -0.7040405     4.453578  
1 1 1 3  14 3  o 124.1753 1.113745  154.2049       2.765847  155.2083       3.935938  153.2260       3.887508  0.7980042      2.227490  
1 1 1 3  14 4  o 308.0096 2.623846  949.1705       16.16163  941.0479       22.65550  957.5871       23.06192  -2.681396      5.247692  
1 1 1 3  14 5  o 146.1592 1.399101  213.1656       4.034200  210.7144       5.272652  216.6267       6.265353  -2.018448      2.798203  
1 1 1 3  14 6  o 298.0178 2.935416  888.7474       17.49321  899.0115       25.01656  878.9265       24.47073  3.363892       5.870832  
1 1 1 3  14 7  o 37.33595 1.017264  13.91395       0.7575609 15.42106       1.096312  12.53668       1.048024  3.862514       2.034528  
1 1 1 3  14 8  o 210.4102 2.098149  443.0867       8.829247  441.2994       12.43689  444.9027       12.53659  -0.8548126     4.196299  
1 1 1 3  14 9  o 196.7195 1.843810  388.1152       7.204586  394.3664       9.683206  380.3636       10.78293  3.578003       3.687621  
1 1 1 3  14 10 o 101.0393 1.257679  102.6269       2.525446  107.2669       3.433296  97.15633       3.727907  5.008118       2.515357  
1 1 1 3  14 11 o 109.1006 1.144398  118.6897       2.465954  121.6710       3.821287  116.5623       3.228061  2.330025       2.288795  
1 1 1 3  14 12 o 123.6399 1.149531  152.9910       2.842280  152.1885       3.987548  153.8199       4.052420  -0.6579666     2.299062  
1 1 1 3  14 13 o 47.54203 0.9653157 22.63461       0.9170440 21.60576       1.300041  23.65357       1.293774  -2.153847      1.930631  
1 1 1 3  14 14 o 45.92627 1.004845  21.05968       0.9126362 20.76891       1.200034  21.45854       1.405509  -0.7439423     2.009690  
1 1 1 3  14 15 o 24.81127 1.438526  6.186851       0.7108758 6.346430       0.9697492 6.001496       1.045139  0.7001591      2.877052  
1 1 1 3  14 16 o 38.62804 0.9878866 14.92134       0.7612200 14.54543       1.034461  15.36528       1.124183  -1.054489      1.975773  
1 1 1 3  14 17 o 69.31081 0.9230735 47.93825       1.252267  47.09587       1.606405  49.24311       1.999324  -1.510490      1.846147  
1 1 1 3  14 18 o 50.12499 0.8281755 25.18152       0.8293183 24.56937       1.141079  25.86690       1.207395  -1.284294      1.656351  
1 1 1 3  14 19 o 22.68472 1.356298  5.197835       0.6138700 5.294667       0.9033639 5.114761       0.8367453 0.3768539      2.712596  
1 1 1 3  14 20 o 11.78588 2.026695  1.387779       0.5862904 2.683239       0.8152800 0.3231397E-03  0.8437317 8.780152       4.053389  
1 1 1 3  14 21 o 31.91178 1.277263  10.36911       0.8085064 10.39532       1.077896  10.33541       1.222511  0.1651726      2.554526  
1 1 1 3  14 22 o 32.59714 1.338513  10.97816       0.8537015 10.95627       1.099797  11.01133       1.354130  0.1407852      2.677026  
1 1 1 3  14 23 o 10.54850 2.654925  1.243862       0.7287745 1.704212       1.015548  0.7550872      1.046431  2.573609       5.309849  
1 1 1 3  15 0  o 89.46866 1.220159  80.12900       2.181267  81.01785       3.113130  79.27181       3.057187  0.000000       0.000000  
1 1 1 3  15 1  o 399.7643 3.396832  1599.960       27.15591  1614.356       38.73783  1586.048       38.07916  3.531769       6.793664  
1 1 1 3  15 2  o 630.9388 5.358061  3988.320       67.55162  4095.561       98.06609  3891.488       93.18550  16.07483       10.71612  
1 1 1 3  15 3  o 277.5572 2.370152  770.7736       13.15684  768.7256       18.54364  772.8494       18.67016  -0.7418518     4.740305  
1 1 1 3  15 4  f 139.1102 1.236175  192.9555       3.431616  201.9844       5.062125  185.2781       4.667890  6.003250       2.472350  
1 1 1 3  15 5  o 259.0426 2.216862  671.3364       11.48523  670.9028       16.23470  671.7708       16.25044  -0.1674194     4.433723  
1 1 1 3  15 6  o 102.6815 1.053360  105.5892       2.144582  104.3562       3.243484  106.5469       2.858634  -1.068390      2.106719  
1 1 1 3  15 7  o 96.34044 1.011241  92.59887       1.924214  94.26281       2.976962  91.40482       2.521821  1.480965       2.022482  
1 1 1 3  15 8  o 557.8524 5.491444  3132.457       61.25992  3163.500       87.50925  3102.624       85.78568  5.381409       10.98289  
1 1 1 3  15 9  o 128.9074 1.273089  166.1899       3.247516  165.8345       4.289794  166.6670       4.970360  -0.3139496     2.546177  
1 1 1 3  15 10 o 44.15983 1.184652  20.88259       0.9487430 23.39818       1.166929  15.97733       1.629505  8.409592       2.369303  
1 1 1 3  15 11 o 89.12692 0.8849517 79.43636       1.558110  79.26535       2.048237  79.67122       2.400439  -0.2220306     1.769903  
1 1 1 3  15 12 o 131.9943 1.328167  173.8388       3.448790  171.1687       4.473316  177.7517       5.415198  -2.462173      2.656334  
1 1 1 3  15 13 o 50.84979 0.9245331 25.88815       0.9395254 26.28804       1.309499  25.46393       1.348749  0.8113441      1.849066  
1 1 1 3  15 14 o 147.9850 1.548499  219.4380       4.581553  221.9354       6.579468  217.0872       6.383561  1.627670       3.096999  
1 1 1 3  15 15 o 75.30965 1.030532  56.79138       1.551814  55.08334       2.176107  58.55873       2.213564  -2.305305      2.061064  
1 1 1 3  15 16 f 37.00562 1.037272  13.73057       0.7645768 13.72676       1.035622  13.73514       1.133552  -0.2361298E-02 2.074543  
1 1 1 3  15 17 o 60.36092 0.8872875 36.37469       1.065467  37.94997       1.604649  35.13256       1.424909  2.315498       1.774575  
1 1 1 3  15 18 o 36.54810 1.118718  13.42395       0.8171105 12.79027       1.131663  14.11415       1.181057  -1.801044      2.237437  
1 1 1 3  15 19 o 70.06152 0.9951844 49.41634       1.394006  48.31676       1.981128  50.49463       1.961857  -1.558640      1.990369  
1 1 1 3  15 20 o 41.20947 0.9548292 17.11307       0.7864744 17.04796       1.092288  17.18317       1.133333  -0.1521339     1.909658  
1 1 1 3  15 21 o 30.69520 1.154896  9.559101       0.7088826 9.438619       0.9917734 9.684946       1.013606  -0.3913574     2.309792  
1 1 1 3  15 22 o 15.96303 2.218259  2.864849       0.6824052 3.025683       0.9702734 2.707422       0.9599428 0.9882679      4.436517  
1 1 1 3  15 23 o 24.15522 1.643942  6.282925       0.7921610 6.763860       1.120104  5.801678       1.120466  1.992250       3.287884  
1 1 1 3  16 0  o 97.68875 1.313316  95.53805       2.563752  95.06799       3.606393  96.01830       3.645307  0.000000       0.000000  
1 1 1 3  16 1  o 116.6455 1.063294  136.0520       2.480254  134.5997       3.474102  137.5618       3.542104  -1.269432      2.126587  
1 1 1 3  16 2  o 67.18784 0.7594239 45.05877       1.019400  47.03129       1.483947  43.29615       1.402773  2.779434       1.518848  
1 1 1 3  16 3  o 390.1978 3.315374  1522.770       25.85766  1556.426       37.35395  1491.805       35.83014  8.265594       6.630748  
1 1 1 3  16 4  o 131.2798 1.182228  172.3490       3.103848  173.7091       4.420446  171.0263       4.359203  1.021561       2.364455  
1 1 1 3  16 5  o 58.33605 0.8737688 34.20760       1.008161  35.31358       1.342548  32.77753       1.526639  2.174271       1.747538  
1 1 1 3  16 6  o 334.4977 3.292816  1120.119       22.02405  1106.145       30.76353  1134.811       31.54456  -4.273285      6.585632  
1 1 1 3  16 7  o 245.3746 2.596931  597.5471       11.85744  617.1055       21.23203  588.6823       14.29426  5.680450       5.193863  
1 1 1 3  16 8  o 102.6827 1.140896  105.1095       2.337445  100.4974       3.175264  110.5654       3.453533  -4.899689      2.281792  
1 1 1 3  16 9  o 287.0302 2.653955  824.3833       15.04190  817.0574       19.71987  834.5764       23.26093  -2.941589      5.307909  
1 1 1 3  16 10 f 303.6373 2.688577  922.9641       15.76813  917.8466       19.84627  931.7249       25.96661  -2.041626      5.377154  
1 1 1 3  16 11 o 127.3083 1.211640  161.3625       2.965206  159.2033       3.700442  165.2362       4.956486  -2.339951      2.423280  
1 1 1 3  16 12 o 190.2134 1.931882  362.7218       7.348899  367.2943       10.46557  358.2741       10.32175  2.364090       3.863765  
1 1 1 3  16 13 o 72.32417 0.9175171 52.25866       1.324783  50.99614       1.811178  53.71133       1.942792  -1.873512      1.835034  
1 1 1 3  16 14 o 77.98726 0.9296218 60.90014       1.448447  61.50261       2.008519  60.24731       2.090783  0.8075485      1.859244  
1 1 1 3  16 15 o 45.07741 1.086318  20.39133       0.9779593 19.51755       1.399689  21.22476       1.366977  -1.895878      2.172637  
1 1 1 3  16 16 o 43.05119 1.096756  18.59951       0.9158032 18.61559       1.161651  18.57311       1.488604  0.8336639E-01  2.193513  
1 1 1 3  16 17 o 20.50882 1.608853  4.227417       0.6580136 4.703908       0.9629544 3.810035       0.9012507 2.166628       3.217705  
1 1 1 3  16 18 o 70.10667 0.9395740 49.15467       1.295066  48.15219       1.675860  50.64088       2.040509  -1.708458      1.879148  
1 1 1 3  16 19 o 37.24230 1.139755  14.02499       0.8453095 13.61822       1.243930  14.37401       1.152226  -1.040039      2.279510  
1 1 1 3  16 20 o 11.84289 2.403059  1.474405       0.5856870 1.785053       0.9551378 1.287211       0.7414411 1.810943       4.806118  
1 1 1 3  16 21 o 10.20189 2.576909  1.009003       0.6772679 1.334291       0.9524462 0.6762952      0.9632481 1.874097       5.153819  
1 1 1 3  16 22 o 10.57735 2.711174  0.8248808      0.7702932 2.243506       1.292285  0.4306174E-01  0.9593509 5.863348       5.422348  
1 1 1 3  16 23 o 11.02726 2.740438  1.440482       0.8128682 0.5300919      1.277434  2.059940       1.053733  -3.636229      5.480875  
1 1 1 3  17 0  o 33.92818 1.255824  11.61378       0.8465205 12.09568       1.194394  11.12739       1.199947  0.000000       0.000000  
1 1 1 3  17 1  o 392.4508 3.335489  1541.226       26.17509  1560.545       37.47161  1522.818       36.57885  4.797668       6.670978  
1 1 1 3  17 2  o 203.5610 1.759881  413.0057       7.145488  433.7351       10.58625  395.6579       9.684363  9.348099       3.519762  
1 1 1 3  17 3  o 146.1387 1.298758  213.4877       3.794577  217.4520       5.457060  209.7764       5.280005  2.625427       2.597516  
1 1 1 3  17 4  f 259.8546 2.404191  676.4966       12.39252  682.4675       16.54178  668.8588       18.70899  2.637482       4.808383  
1 1 1 3  17 5  f 132.1665 1.294324  174.0602       3.371801  170.9680       4.390979  178.5039       5.263680  -2.846054      2.588648  
1 1 1 3  17 6  o 257.5612 2.715703  659.5430       13.05809  676.6989       23.20328  651.5912       15.79709  4.772964       5.431405  
1 1 1 3  17 7  o 173.5721 1.644386  301.4795       5.650605  301.2416       8.624852  301.6584       7.479336  -0.1344910     3.288772  
1 1 1 3  17 8  o 110.2394 1.125878  121.4867       2.454627  121.0163       3.235476  122.1246       3.767730  -0.4968338     2.251756  
1 1 1 3  17 9  o 190.1584 1.791683  360.6011       6.713665  370.2641       10.49260  353.9026       8.736043  4.260529       3.583367  
1 1 1 3  17 10 o 186.4217 1.689541  346.3366       6.059219  342.0446       7.571083  353.9834       10.10568  -3.132935      3.379081  
1 1 1 3  17 11 f 191.1486 1.989794  363.8389       6.805350  360.8568       7.986316  371.7451       13.00378  -2.633865      3.979589  
1 1 1 3  17 12 o 94.80779 1.068901  89.79080       2.014662  91.45916       3.031763  88.47150       2.696021  1.566528       2.137801  
1 1 1 3  17 13 o 68.25313 0.9852616 46.13529       1.315350  44.39143       1.677944  48.91514       2.118525  -3.300102      1.970523  
1 1 1 3  17 14 o 29.74142 1.571310  9.241546       0.8792757 10.17125       1.107427  7.655771       1.446314  4.248959       3.142620  
1 1 1 3  17 15 o 105.5582 1.056946  111.3190       2.225632  107.2674       3.020599  116.1311       3.291911  -4.179810      2.113891  
1 1 1 3  17 16 o 79.96889 1.024065  62.16524       1.563161  57.93637       1.912700  70.67022       2.712512  -7.878654      2.048130  
1 1 1 3  17 17 o 36.34741 1.027635  13.29772       0.7450511 13.98497       1.035615  12.56039       1.072686  1.964668       2.055271  
1 1 1 3  17 18 o 17.35268 2.181278  3.268989       0.7018768 3.595209       0.8893381 2.730233       1.142898  2.898111       4.362556  
1 1 1 3  17 19 o 35.90680 1.030985  12.99342       0.7399617 12.87980       1.027250  13.11597       1.066798  -0.3178596     2.061971  
1 1 1 3  17 20 o 10.01836 2.560990  0.8897817      0.6916520 1.368984       0.9313126 0.3004115      1.032833  2.655900       5.121981  
1 1 1 3  17 21 o 11.23145 2.712533  1.219125       0.7389752 0.6955956      0.9432982 2.050863       1.188972  -4.091148      5.425065  
1 1 1 3  17 22 o 9.329423 2.509084  0.6518206      0.7095205 1.453778       0.9976957 -0.1687874     1.009231  3.806252       5.018167  
1 1 1 3  17 23 o 25.18652 1.812032  6.804523       0.8715262 6.523197       1.075859  7.341531       1.486417  -0.8966827     3.624063  
1 1 1 3  18 0  o 31.13359 1.326375  9.802920       0.8192695 9.966096       1.147421  9.633213       1.170158  0.000000       0.000000  
1 1 1 3  18 1  o 331.7451 2.826437  1101.056       18.74969  1114.174       26.82828  1088.531       26.21450  3.859558       5.652875  
1 1 1 3  18 2  o 243.0666 2.088730  590.8699       10.15155  598.9569       14.55074  583.2008       14.16977  3.238495       4.177459  
1 1 1 3  18 3  o 144.9924 1.585636  210.4376       4.344918  210.7563       5.335695  209.8103       7.485713  0.3385773      3.171272  
1 1 1 3  18 4  o 212.2615 1.987564  447.0579       8.264824  468.7045       13.22045  433.1706       10.58912  8.348328       3.975128  
1 1 1 3  18 5  o 193.5314 1.820588  375.2251       6.986685  370.6736       10.56167  378.7665       9.316406  -2.101486      3.641177  
1 1 1 3  18 6  o 128.8139 1.177664  165.8354       3.032282  162.0572       4.203144  169.9360       4.378838  -3.056870      2.355329  
1 1 1 3  18 7  o 360.3725 3.323703  1305.082       23.79390  1276.094       35.56724  1328.564       32.01214  -7.382202      6.647407  
1 1 1 3  18 8  o 271.4690 3.003951  740.0745       16.01671  733.6203       25.08683  744.5156       20.81003  -2.149841      6.007903  
1 1 1 3  18 9  o 29.38438 1.143111  8.618662       0.6705527 9.392974       0.9723860 7.916570       0.9259284 2.511459       2.286223  
1 1 1 3  18 10 o 89.48466 1.119794  80.86664       1.821738  81.92979       2.171867  78.34330       3.345973  2.027283       2.239589  
1 1 1 3  18 11 o 98.89140 1.023704  98.13800       1.966398  99.02016       2.504916  96.72137       3.174292  1.179253       2.047408  
1 1 1 3  18 12 o 191.3804 2.036844  371.5664       7.483778  383.0158       9.432923  352.1189       12.29383  8.225479       4.073688  
1 1 1 3  18 13 o 79.27942 1.053004  62.96109       1.653998  62.59927       2.513445  63.23744       2.196646  -0.4135742     2.106008  
1 1 1 3  18 14 f 80.21237 1.101958  64.24757       1.765156  68.83150       2.576187  60.19116       2.423425  5.378403       2.203917  
1 1 1 3  18 15 f 57.69372 1.078059  33.39569       1.198869  33.49129       1.507657  33.23128       1.977144  0.2599525      2.156118  
1 1 1 3  18 16 o 50.14775 0.9616370 25.24343       0.9626940 24.73648       1.396537  25.70244       1.328890  -0.9699554     1.923274  
1 1 1 3  18 17 o 36.13602 1.115095  13.04181       0.8031401 14.55490       1.189383  11.77363       1.088883  3.831413       2.230190  
1 1 1 3  18 18 o 68.22426 0.8840057 46.66605       1.204304  45.13251       1.648060  48.42324       1.764146  -2.389977      1.768011  
1 1 1 3  18 19 o 21.31222 1.549298  4.650160       0.6572931 5.062768       0.9186206 4.217310       0.9408849 1.993393       3.098595  
1 1 1 3  18 20 o 30.90379 1.184031  9.659085       0.7264366 9.456304       0.9659477 9.923085       1.102146  -0.6966381     2.368062  
1 1 1 3  18 21 o 12.97165 2.422276  1.887624       0.7183414 3.101457       1.012589  0.6578423      1.019220  7.437013       4.844552  
1 1 1 3  18 22 o 14.51809 2.530232  2.499490       0.7311261 2.315093       1.022479  2.692414       1.045854  -1.182196      5.060463  
1 1 1 3  18 23 o 28.65474 1.460169  8.777139       0.8293699 8.777774       1.104084  8.776316       1.256443  0.2564430      2.920338  
1 1 1 3  19 0  o 19.19389 3.241751  4.431601       0.9956614 4.809564       1.203845  3.613322       1.771318  0.000000       0.000000  
1 1 1 3  19 1  o 236.3744 2.626139  559.6519       12.18045  561.8571       15.78398  556.4052       19.15195  1.185471       5.252277  
1 1 1 3  19 2  o 147.4568 1.865197  215.3337       5.459359  200.8284       7.206095  234.8754       8.364071  -11.53627      3.730394  
1 1 1 3  19 3  o 202.6686 1.906570  409.0790       7.603536  421.0443       11.94611  400.9307       9.858231  4.945282       3.813140  
1 1 1 3  19 4  o 398.5294 3.390450  1590.633       27.02371  1587.420       38.13786  1593.874       38.29724  -0.8072205     6.780899  
1 1 1 3  19 5  o 165.2508 1.779418  274.8306       5.594464  267.9542       9.450987  278.5398       6.941208  -3.228729      3.558836  
1 1 1 3  19 6  o 204.2873 2.289023  418.6339       9.195681  413.3533       14.33348  422.3277       11.98792  -2.239334      4.578046  
1 1 1 3  19 7  o 229.1494 1.978500  525.6619       9.067403  526.8401       12.84750  524.4926       12.79913  0.5112762      3.957001  
1 1 1 3  19 8  o 110.4147 1.128164  121.2375       2.450301  125.9270       3.861820  118.0774       3.170156  3.544594       2.256327  
1 1 1 3  19 9  o 32.71579 1.119355  10.71589       0.7265496 10.76368       0.9693047 10.65462       1.097607  0.1688957      2.238709  
1 1 1 3  19 10 o 66.09384 0.8890092 43.60987       1.153951  43.21675       1.493284  44.19262       1.818111  -0.7325363     1.778018  
1 1 1 3  19 11 o 77.14954 0.9515566 59.35709       1.437770  58.58364       1.848328  60.54218       2.287920  -1.258842      1.903113  
1 1 1 3  19 12 o 38.83553 1.191610  15.35954       0.8922587 16.17613       1.138509  14.05952       1.436510  2.735176       2.383220  
1 1 1 3  19 13 o 107.1467 1.148630  114.4755       2.430891  112.0272       3.180373  117.9156       3.769924  -2.724457      2.297259  
1 1 1 3  19 14 o 93.57278 1.188336  87.48584       2.216527  84.74090       2.995763  90.80615       3.294819  -3.221771      2.376673  
1 1 1 3  19 15 o 99.86617 1.150222  100.0804       2.251250  100.2153       2.908481  99.87866       3.555635  0.2309647      2.300445  
1 1 1 3  19 16 o 82.56552 0.9370249 68.34845       1.547220  69.44451       2.197719  67.27136       2.178607  1.314079       1.874050  
1 1 1 3  19 17 o 21.55871 1.771569  4.726465       0.7485930 4.741403       0.9682852 4.704269       1.180244  0.1540985      3.543138  
1 1 1 3  19 18 o 34.53236 1.324108  12.09479       0.9104900 10.89929       1.295767  13.26070       1.279639  -3.423695      2.648215  
1 1 1 3  19 19 o 7.361325 2.290636  -0.4273665     0.6666102 -0.9535058     0.8702458 0.3196974      1.036980  -2.912231      4.581272  
1 1 1 3  19 20 o 42.68054 1.016016  18.44483       0.8659530 18.72949       1.197633  18.13294       1.253566  0.7216835      2.032032  
1 1 1 3  19 21 o 38.51512 1.140985  15.20132       0.8785385 15.11722       1.223538  15.29083       1.262248  -0.1954727     2.281971  
1 1 1 3  19 22 o 10.21622 2.634615  1.067451       0.7362148 1.717243       1.049940  0.4389377      1.032606  3.336574       5.269229  
1 1 1 3  19 23 f 14.72045 2.619733  2.760525       0.7795359 2.135456       1.048923  3.531674       1.165061  -4.009084      5.239467  
1 1 1 3  20 0  o 381.7554 5.655337  1459.151       40.54515  1470.607       70.75208  1453.549       49.47464  0.000000       0.000000  
1 1 1 3  20 1  o 80.21049 0.9469991 63.93936       1.492902  66.47672       2.359961  62.24652       1.927614  2.635178       1.893998  
1 1 1 3  20 2  o 246.2222 2.287493  606.9533       11.15478  604.4673       16.98602  608.8384       14.79121  -0.9098358     4.574986  
1 1 1 3  20 3  o 305.0031 3.198090  929.2029       18.32228  938.3324       32.04991  924.7706       22.33126  2.078796       6.396179  
1 1 1 3  20 4  o 260.1798 3.646766  679.6639       16.48262  675.8140       32.75904  680.9688       19.07268  -1.266113      7.293531  
1 1 1 3  20 5  o 81.95061 1.022381  67.17318       1.675680  66.78649       2.365139  67.56290       2.374426  -0.4736404     2.044761  
1 1 1 3  20 6  f 226.7650 1.960664  514.4086       8.887849  524.5784       12.81351  504.9789       12.33857  4.313080       3.921329  
1 1 1 3  20 7  o 21.25193 1.552777  4.548296       0.6546339 3.906293       0.9301891 5.178302       0.9214571 -2.992846      3.105553  
1 1 1 3  20 8  o 106.1876 1.178243  112.7820       2.501743  114.6404       3.584413  111.0168       3.493342  1.704697       2.356487  
1 1 1 3  20 9  o 180.6412 1.717118  325.8276       6.113092  321.2766       7.965517  332.3490       9.535089  -3.017700      3.434236  
1 1 1 3  20 10 o 130.8835 1.306912  171.4210       3.376752  171.0253       4.430693  171.9693       5.215648  -0.3368988     2.613825  
1 1 1 3  20 11 o 139.1528 1.317507  194.6292       3.570553  197.2628       4.573918  190.5205       5.712983  2.460541       2.635015  
1 1 1 3  20 12 o 52.03407 0.9773785 27.10359       1.015519  27.19082       1.398458  27.00626       1.477088  0.1797676      1.954757  
1 1 1 3  20 13 o 29.50633 1.365811  8.783641       0.7996598 9.357198       1.088613  8.111449       1.178508  2.115519       2.731622  
1 1 1 3  20 14 f 87.04353 1.177987  76.04288       2.048361  78.99622       2.869663  72.97502       2.924763  3.462891       2.355974  
1 1 1 3  20 15 o 29.73354 1.432833  8.922356       0.8485615 8.100677       1.211028  9.714892       1.189360  -2.717413      2.865666  
1 1 1 3  20 16 o 37.17571 1.118223  13.88489       0.8307029 13.99334       1.153756  13.76815       1.197021  0.3088303      2.236445  
1 1 1 3  20 17 o 60.92829 0.8955338 37.26930       1.090974  38.50307       1.554330  36.07126       1.531660  1.991901       1.791068  
1 1 1 3  20 18 o 44.02631 1.045219  19.69077       0.9109917 21.10635       1.233714  17.99344       1.350922  3.563034       2.090439  
1 1 1 3  20 19 o 23.60632 1.569576  5.667421       0.7389692 6.295795       1.076528  5.107501       1.016200  2.489183       3.139151  
1 1 1 3  20 20 o 44.01152 1.108070  19.55159       0.9582570 19.23192       1.239869  20.02579       1.510101  -0.7881470     2.216141  
1 1 1 3  20 21 o 13.70119 2.822523  2.267679       0.8540729 1.545693       1.288313  2.833776       1.140782  -3.768478      5.645046  
1 1 1 3  20 22 o 12.75501 2.816062  1.821916       0.8047896 3.006264       1.323006  1.126246       1.013967  5.202476       5.632124  
1 1 1 3  20 23 f 17.73694 2.264666  3.768318       0.7854466 3.571618       1.114193  3.962632       1.107416  -1.410419      4.529332  
1 1 1 3  21 0  o 9.997372 3.232974  1.450295       0.8237899 2.118903       1.055911  0.4103731      1.316867  0.000000       0.000000  
1 1 1 3  21 1  o 167.2558 1.705213  279.7972       5.703260  282.9886       8.152487  276.7383       7.981488  1.867096       3.410426  
1 1 1 3  21 2  o 175.2757 1.991688  307.2664       6.840907  308.0222       10.82229  306.7634       8.828383  0.3388367      3.983376  
1 1 1 3  21 3  o 173.2068 1.758516  300.1276       6.091190  302.8495       8.685309  297.4929       8.544894  1.544815       3.517033  
1 1 1 3  21 4  o 256.0233 2.375681  657.1146       12.06272  662.9715       16.09182  649.6017       18.22519  2.649231       4.751361  
1 1 1 3  21 5  o 88.58429 0.9277654 78.46181       1.643092  77.57132       2.287402  79.41111       2.361746  -1.037834      1.855531  
1 1 1 3  21 6  o 330.1672 2.823115  1092.693       18.64200  1092.625       26.36166  1092.760       26.36588  -0.2032471E-01 5.646231  
1 1 1 3  21 7  o 79.40749 1.125069  63.40437       1.777377  67.54108       2.446618  58.78153       2.586384  5.517647       2.250139  
1 1 1 3  21 8  o 149.7899 1.456767  222.3506       4.273933  235.2927       6.853348  214.1139       5.467331  7.038437       2.913533  
1 1 1 3  21 9  o 94.24671 0.9596161 88.75191       1.807457  91.91270       2.618866  85.87684       2.497698  3.199921       1.919232  
1 1 1 3  21 10 o 120.8098 1.131568  146.0805       2.734054  147.1218       3.876216  145.0496       3.856929  0.8570633      2.263136  
1 1 1 3  21 11 o 87.85229 1.067217  77.17174       1.873593  79.02225       2.716752  75.49335       2.587307  2.004677       2.134433  
1 1 1 3  21 12 o 52.32339 1.539568  0.000000       0.000000  ?              ?         27.40793       1.611109  ?              ?         
1 1 1 3  21 13 o 15.77055 2.373247  2.572182       0.7035336 2.615587       0.8646126 2.487129       1.210302  0.7346859      4.746494  
1 1 1 3  21 14 o 75.40053 0.9840662 56.81265       1.480846  54.90651       2.017257  59.04028       2.180751  -2.730652      1.968132  
1 1 1 3  21 15 o 61.31363 1.033535  37.89262       1.239161  38.61395       1.601431  36.81628       1.956209  1.503273       2.067071  
1 1 1 3  21 16 o 96.60585 1.187262  93.81938       2.290937  93.91853       3.161242  93.70970       3.324680  0.1334915      2.374524  
1 1 1 3  21 17 o 69.00462 1.012353  47.89500       1.386440  47.98428       2.094876  47.82542       1.849428  0.6327820E-01  2.024705  
1 1 1 3  21 18 o 11.93287 2.658985  1.429266       0.7121357 1.065516       0.9389331 1.921901       1.092687  -2.829070      5.317969  
1 1 1 3  21 19 o 19.70911 1.784907  3.959821       0.6979528 3.351201       0.9339146 4.729788       1.050437  -3.422079      3.569815  
1 1 1 3  21 20 o 14.84187 2.563852  2.499907       0.7563536 2.765989       1.022311  2.178127       1.124230  1.949766       5.127703  
1 1 1 3  21 21 o 26.18224 1.556245  7.185079       0.8117189 8.052036       1.168890  6.377595       1.128085  3.152237       3.112489  
1 1 1 3  21 22 o 20.44104 2.221383  5.126599       0.8055562 7.062842       1.097550  2.865528       1.186046  10.65347       4.442766  
1 1 1 3  22 0  o 183.4268 2.788635  338.5556       9.689518  341.6440       11.96719  332.6775       16.51022  0.000000       0.000000  
1 1 1 3  22 1  o 280.2842 2.599077  785.4435       14.39511  779.5209       18.91427  793.5965       22.19179  -2.457153      5.198153  
1 1 1 3  22 2  o 56.29913 1.096081  32.14264       1.213866  34.79983       1.621092  28.75120       1.831419  5.373466       2.192162  
1 1 1 3  22 3  o 64.06089 0.9105492 40.89703       1.155303  40.01913       1.523498  42.08502       1.772263  -1.610653      1.821098  
1 1 1 3  22 4  o 104.1104 1.097101  108.3617       2.262409  107.9887       2.996231  108.8564       3.450759  -0.4123459     2.194201  
1 1 1 3  22 5  o 135.9112 1.339942  184.8797       3.608382  185.3004       4.790484  184.3281       5.485977  0.3671570      2.679884  
1 1 1 3  22 6  o 48.77978 0.9023678 23.80026       0.8797739 23.83553       1.267695  23.76748       1.221942  0.6924057E-01  1.804736  
1 1 1 3  22 7  o 140.1352 1.383765  195.8187       3.821560  200.6537       5.967716  192.4578       4.975571  2.904297       2.767529  
1 1 1 3  22 8  o 109.7803 1.062186  120.5451       2.331562  118.8831       3.253638  122.2996       3.342823  -1.554359      2.124373  
1 1 1 3  22 9  o 56.29803 1.061390  31.20126       1.110291  30.36109       1.333077  33.10393       2.006104  -2.420044      2.122781  
1 1 1 3  22 10 o 70.81845 0.8755020 50.08490       1.238458  48.38477       1.699959  52.00780       1.807908  -2.555595      1.751004  
1 1 1 3  22 11 o 138.9666 1.569915  192.2448       4.068464  197.0375       7.241589  190.0344       4.917999  2.412491       3.139829  
1 1 1 3  22 12 o 41.26226 1.179503  16.97891       0.9590965 16.65111       1.248006  17.45180       1.498950  -0.9599724     2.359007  
1 1 1 3  22 13 o 42.71569 1.299113  18.90995       0.9506238 19.53481       1.101685  17.08857       1.880911  2.913963       2.598225  
1 1 1 3  22 14 o 89.78093 1.103099  80.70383       1.962422  81.68492       2.993646  79.96455       2.598650  0.9242020      2.206198  
1 1 1 3  22 15 o 8.130299 2.456329  -0.1213196     0.7233776 -0.5644535     0.9952770 0.3748936      1.053200  -2.027163      4.912658  
1 1 1 3  22 16 o 26.63554 1.421458  7.164888       0.7563916 6.856006       1.077397  7.465099       1.062165  -1.146740      2.842916  
1 1 1 3  22 17 o 55.94410 1.013852  31.70347       1.116710  32.81308       1.471077  30.19455       1.715478  2.392666       2.027705  
1 1 1 3  22 18 o 14.47123 2.628154  2.298443       0.7744800 2.773028       1.088630  1.812082       1.102053  3.009682       5.256307  
1 1 1 3  22 19 o 10.90452 2.764607  1.115677       0.7492459 0.9914120      0.9477144 1.322804       1.223546  -1.389522      5.529213  
1 1 1 3  22 20 o 13.44975 2.697381  2.089728       0.7934505 1.351981       1.134798  2.795374       1.109835  -4.358786      5.394763  
1 1 1 3  22 21 o 22.88134 1.729641  5.560595       0.7867033 6.436347       1.146912  4.782416       1.081133  3.525778       3.459283  
1 1 1 3  22 22 o 11.93630 2.832776  1.767671       0.7920508 1.758833       1.034037  1.780219       1.232063  0.4126549E-02  5.665553  
1 1 1 3  23 0  o 253.5074 3.092997  643.6071       15.66560  633.0016       21.79539  654.9415       22.53197  0.000000       0.000000  
1 1 1 3  23 1  o 69.43860 0.8627884 48.20035       1.197876  46.72507       1.673748  49.74944       1.715115  -2.177444      1.725577  
1 1 1 3  23 2  f 305.8020 2.617778  936.3112       16.00546  950.8828       22.98322  922.5901       22.30241  4.610901       5.235557  
1 1 1 3  23 3  o 162.2212 1.443178  263.2219       4.681285  266.8528       6.704750  259.7682       6.539033  2.181427       2.886356  
1 1 1 3  23 4  o 293.6743 2.520133  863.5215       14.79485  848.3365       20.54355  879.8829       21.32446  -5.350769      5.040266  
1 1 1 3  23 5  f 69.50121 0.8605717 48.30408       1.195554  47.95976       1.660715  48.67450       1.722517  -0.5135498     1.721143  
1 1 1 3  23 6  o 99.32521 0.9995130 98.66701       1.984920  97.65558       2.767186  99.73898       2.848793  -1.047630      1.999026  
1 1 1 3  23 7  o 69.62731 0.9468542 48.50698       1.298169  48.45721       2.020801  48.54195       1.693925  -0.6585693E-01 1.893708  
1 1 1 3  23 8  o 181.7600 1.733731  331.4943       6.251497  335.6113       8.355977  326.2605       9.421527  2.608551       3.467462  
1 1 1 3  23 9  o 146.1617 1.423971  214.1378       4.128020  215.4894       5.504327  212.4004       6.240543  1.083176       2.847941  
1 1 1 3  23 10 o 145.3420 1.702037  212.6659       4.866904  206.1472       7.536063  217.3300       6.374516  -3.899292      3.404075  
1 1 1 3  23 11 o 102.6737 1.029572  105.5237       2.114146  105.8848       2.982430  105.1590       2.997333  0.3539429      2.059145  
1 1 1 3  23 12 o 58.43409 1.287586  34.23368       1.469770  34.33332       1.887675  34.08028       2.342252  0.2387848      2.575172  
1 1 1 3  23 13 o 67.78899 0.9849216 46.23731       1.323367  47.71044       1.773770  44.38788       1.987452  2.464111       1.969843  
1 1 1 3  23 14 o 23.56141 1.708465  5.540773       0.7989416 4.666720       1.078132  6.605371       1.189860  -4.096226      3.416930  
1 1 1 3  23 15 o 36.83472 1.334247  13.48978       0.9586316 12.96876       1.216612  14.34300       1.556884  -1.813110      2.668495  
1 1 1 3  23 16 o 40.72840 1.108179  16.67763       0.9020851 15.85748       1.255954  17.55158       1.296494  -2.071503      2.216357  
1 1 1 3  23 17 o 22.35066 1.808346  5.232755       0.7842652 5.917146       1.039904  4.330065       1.194292  3.609194       3.616691  
1 1 1 3  23 18 o 11.84494 2.788331  1.431207       0.7839586 1.744227       1.091749  1.097983       1.126433  1.803823       5.576663  
1 1 1 3  23 19 o 10.28402 2.656422  0.9816321      0.7131154 0.8959994      1.011724  1.066181       1.005301  -0.4563360     5.312844  
1 1 1 3  23 20 o 51.21694 1.517226  26.34640       1.335514  29.28388       2.752466  25.44190       1.527350  2.599499       3.034451  
1 1 1 3  23 21 o 31.76833 1.621852  10.61751       1.024949  12.25189       1.525172  9.271544       1.384072  4.502260       3.243704  
1 1 1 3  23 22 o 21.85548 1.959467  5.393651       0.8395434 5.680487       1.109016  5.008625       1.284893  1.910730       3.918934  
1 1 1 3  24 0  o 54.08714 1.290765  29.39993       1.390833  28.26058       1.993030  30.48152       1.941839  0.000000       0.000000  
1 1 1 3  24 1  o 139.1425 1.269168  193.6436       3.531278  196.0099       5.051940  191.3829       4.937973  1.661301       2.538337  
1 1 1 3  24 2  o 191.7572 1.681183  367.9233       6.446546  363.9773       9.019824  372.0438       9.216956  -2.100021      3.362366  
1 1 1 3  24 3  o 149.7155 1.351020  224.2731       4.045372  224.4470       5.720100  224.0990       5.721939  0.1162415      2.702040  
1 1 1 3  24 4  o 136.7363 1.253715  187.0600       3.428349  186.1806       4.816977  187.9629       4.880483  -0.6507416     2.507430  
1 1 1 3  24 5  o 56.24482 0.9336107 31.69686       1.043525  31.17663       1.559793  32.11835       1.404004  -0.8391991     1.867221  
1 1 1 3  24 6  o 46.93080 0.9169224 21.96034       0.8590078 20.25022       1.179585  23.89123       1.253415  -3.878082      1.833845  
1 1 1 3  24 7  o 51.35477 0.9712362 26.44550       0.9834024 26.02679       1.518208  26.74817       1.290788  -0.7064552     1.942472  
1 1 1 3  24 8  o 58.78124 0.9217854 34.46086       1.076963  33.62074       1.437196  35.53674       1.626406  -1.625629      1.843571  
1 1 1 3  24 9  o 115.5644 1.276862  133.6884       2.950431  134.4722       4.226233  132.9431       4.120841  0.6581497      2.553724  
1 1 1 3  24 10 o 41.25235 0.9571300 17.03174       0.7896135 16.81400       1.118108  17.24837       1.115262  -0.5265541     1.914260  
1 1 1 3  24 11 o 153.0296 1.492179  234.1264       4.510541  238.1944       6.974320  231.2015       5.913801  2.230881       2.984359  
1 1 1 3  24 12 o 98.82063 1.083205  97.48344       2.117267  99.92293       3.262598  95.70863       2.782839  2.108444       2.166410  
1 1 1 3  24 13 o 47.78367 1.019434  22.53591       0.9264418 21.81248       1.136586  23.96812       1.599223  -2.224564      2.038867  
1 1 1 3  24 14 f 56.58142 0.9353832 31.88675       1.010977  31.40297       1.251315  32.79617       1.715627  -1.187153      1.870766  
1 1 1 3  24 15 o 11.25246 2.669051  1.121551       0.7314700 0.5819893      0.9809213 1.797394       1.097833  -3.745097      5.338103  
1 1 1 3  24 16 o 25.62718 1.931625  6.700890       0.9882538 6.687867       1.357144  6.715590       1.441908  -0.2240372E-01 3.863250  
1 1 1 3  24 17 o 62.31945 1.084059  38.74399       1.302476  37.70178       1.627312  40.60178       2.172655  -2.190147      2.168119  
1 1 1 3  24 18 o 34.99595 1.373464  12.20303       0.9243035 11.61704       1.146143  13.29300       1.563154  -2.226547      2.746927  
1 1 1 3  24 19 o 34.79972 1.219314  12.28135       0.8476480 11.52628       1.171177  13.11199       1.228378  -2.251465      2.438627  
1 1 1 3  24 20 f 16.08940 2.727363  3.330140       0.9002502 4.086432       1.106504  1.849260       1.548347  6.775888       5.454726  
1 1 1 3  24 21 o 27.36918 1.474678  7.931528       0.8042293 7.690332       1.176641  8.142999       1.101753  -0.9286442     2.949355  
1 1 1 3  24 22 f 14.67558 2.563324  2.759231       0.7922921 4.025632       1.156015  1.637435       1.088014  7.007840       5.126648  
1 1 1 3  25 0  o 113.5786 1.541203  128.6954       3.488640  122.8075       4.727215  135.7374       5.169803  0.000000       0.000000  
1 1 1 3  25 1  o 182.5374 1.608711  333.3202       5.870909  327.9657       8.172071  339.0313       8.439841  -3.026169      3.217422  
1 1 1 3  25 2  o 229.1122 1.986870  525.6200       9.104237  524.1275       12.84174  527.1282       12.90919  -0.6532440     3.973739  
1 1 1 3  25 3  o 391.8195 3.347993  1541.187       26.23094  1523.157       36.65743  1560.107       37.55101  -4.676086      6.695987  
1 1 1 3  25 4  o 36.14636 1.068704  13.07622       0.7708343 13.14166       1.056485  13.00173       1.127196  0.1946335      2.137409  
1 1 1 3  25 5  f 222.0229 2.085134  493.5941       9.159043  495.7888       14.03484  491.9662       12.08782  0.7985077      4.170268  
1 1 1 3  25 6  o 170.4674 1.514454  290.9316       5.163281  291.5606       7.314504  290.3070       7.289525  0.3669739      3.028908  
1 1 1 3  25 7  o 161.0798 1.561418  258.9655       4.956228  264.9582       7.739235  254.7992       6.453091  3.110168       3.122836  
1 1 1 3  25 8  o 86.15106 1.088685  74.12092       1.873767  70.52342       2.579530  78.13966       2.726377  -4.416252      2.177369  
1 1 1 3  25 9  o 127.2749 1.285851  162.4685       3.249842  159.8000       4.875116  164.6027       4.359867  -1.904472      2.571703  
1 1 1 3  25 10 o 75.25729 0.9556903 56.76253       1.431275  55.86517       2.124232  57.50866       1.936961  -1.097694      1.911381  
1 1 1 3  25 11 f 87.16496 1.125578  77.35086       1.907822  82.29929       2.474563  70.09904       2.995634  7.019745       2.251156  
1 1 1 3  25 12 o 49.83186 1.288598  0.000000       0.000000  ?              ?         24.86670       1.284265  ?              ?         
1 1 1 3  25 13 o 36.74571 1.177864  13.92459       0.8156225 14.79020       1.016148  12.35689       1.367496  3.344856       2.355727  
1 1 1 3  25 14 o 40.43477 1.195814  16.33954       0.8629901 16.24281       1.011871  16.59762       1.652824  -0.3598061     2.391627  
1 1 1 3  25 15 o 45.68977 1.055937  20.95823       0.9639655 19.68940       1.344781  22.29924       1.382508  -2.850082      2.111873  
1 1 1 3  25 16 o 22.15088 1.771162  4.976054       0.7820179 4.716991       1.054623  5.292485       1.165561  -1.256647      3.542323  
1 1 1 3  25 17 o 20.38182 2.116326  4.298470       0.8616285 4.509012       1.213577  4.084459       1.223538  1.047108       4.232652  
1 1 1 3  25 18 o 13.30291 2.484286  1.864258       0.7726398 0.4445395      1.090362  3.296100       1.095008  -8.250710      4.968572  
1 1 1 3  25 19 o 21.84951 2.148833  4.962041       0.9268703 6.225921       1.411194  4.003191       1.229163  4.910429       4.297666  
1 1 1 3  25 20 o 35.73727 1.642169  13.47170       1.148821  13.57675       1.486456  13.31586       1.810371  0.7317696      3.284338  
1 1 1 3  25 21 o 21.72166 1.857260  5.151941       0.8021671 5.874743       1.156137  4.480972       1.113912  3.133774       3.714520  
1 1 1 3  26 0  o 37.76007 1.430350  14.35965       1.071473  13.99816       1.461896  14.77923       1.575000  0.000000       0.000000  
1 1 1 3  26 1  o 52.29185 0.8981057 27.35091       0.9392314 27.55603       1.335926  27.15043       1.320752  0.3876343      1.796211  
1 1 1 3  26 2  o 213.4630 1.859270  456.2445       7.937011  452.9682       11.13698  459.6260       11.31438  -1.554825      3.718540  
1 1 1 3  26 3  o 256.2692 2.212567  658.0571       11.33999  655.8357       15.97244  660.3149       16.10268  -0.8697205     4.425134  
1 1 1 3  26 4  f 64.79137 0.8886901 41.99496       1.151526  41.45165       1.627308  42.53988       1.629702  -0.8397598     1.777380  
1 1 1 3  26 5  o 72.20825 0.9775319 51.77706       1.379446  50.40521       1.760806  53.95685       2.219555  -2.451210      1.955064  
1 1 1 3  26 6  o 32.38617 1.170334  10.49891       0.7578294 10.19925       1.071257  10.79909       1.072209  -0.9260445     2.340667  
1 1 1 3  26 7  o 123.9249 1.352364  153.7525       3.351216  154.8660       4.792436  152.6869       4.687961  0.8756180      2.704728  
1 1 1 3  26 8  o 106.4679 1.142826  112.5540       2.388524  118.0823       3.797104  108.9342       3.072553  4.274963       2.285652  
1 1 1 3  26 9  o 131.7503 1.322087  173.7793       3.453034  174.2915       5.246278  173.3877       4.586592  0.3168335      2.644174  
1 1 1 3  26 10 o 17.44274 2.244243  3.064892       0.7617378 2.542706       1.016291  3.734344       1.150708  -3.680514      4.488486  
1 1 1 3  26 11 o 97.77682 1.087942  95.89510       2.114886  94.30697       3.153941  97.19260       2.850785  -1.490158      2.175885  
1 1 1 3  26 12 o 30.47864 1.256503  9.261373       0.7626564 9.896466       1.144572  8.754235       1.022792  1.863829       2.513005  
1 1 1 3  26 13 o 87.82863 1.171099  76.41547       1.834541  75.21816       2.145065  79.67633       3.539977  -2.382851      2.342198  
1 1 1 3  26 14 o 25.78325 1.405722  6.429585       0.6917190 5.875475       0.8439583 7.563623       1.207362  -3.212452      2.811443  
1 1 1 3  26 15 o 54.24718 1.208635  29.45372       1.306790  32.83482       1.936923  26.62887       1.770437  5.683128       2.417271  
1 1 1 3  26 16 o 56.26520 1.029158  31.84956       1.156675  31.66125       1.594343  32.05881       1.680636  -0.3343849     2.058317  
1 1 1 3  26 17 o 41.78013 1.297099  17.45514       1.036524  16.89743       1.280695  18.51417       1.764798  -1.754974      2.594198  
1 1 1 3  26 18 o 26.42142 1.603482  7.229063       0.8383221 8.193251       1.166312  6.198470       1.205807  3.797470       3.206964  
1 1 1 3  26 19 o 32.58159 1.327157  10.91390       0.8638452 10.63473       1.188428  11.22663       1.257849  -0.8538055     2.654313  
1 1 1 3  26 20 o 9.082360 3.057441  -0.6592450     0.9545719 -0.7855453     1.019758  0.2349838      2.713433  -5.051454      6.114882  
1 1 1 3  26 21 o 19.36532 2.227851  4.304005       0.8410712 4.728374       1.205129  3.901018       1.174376  2.345627       4.455701  
1 1 1 3  27 0  o 15.64544 3.473510  3.157600       0.9915658 2.290956       1.419774  3.982822       1.385428  0.000000       0.000000  
1 1 1 3  27 1  o 186.0448 1.639070  346.4572       6.097910  342.8763       8.535686  350.1899       8.714590  -1.961136      3.278139  
1 1 1 3  27 2  o 46.72133 0.9322540 21.83664       0.8708548 21.85971       1.247463  21.81470       1.216278  0.4771042E-01  1.864508  
1 1 1 3  27 3  o 125.4777 1.180239  157.4396       2.960466  161.0439       4.267784  154.0967       4.110128  2.765167       2.360479  
1 1 1 3  27 4  o 141.6464 1.406125  200.6828       3.932596  199.8333       5.160144  201.8598       6.073997  -0.6915436     2.812251  
1 1 1 3  27 5  o 65.85536 1.037022  43.30426       1.364414  45.76937       1.982780  41.08707       1.880431  3.552788       2.074044  
1 1 1 3  27 6  o 17.19579 2.244510  3.066073       0.7346815 2.829511       1.162101  3.223569       0.9482152 -1.472574      4.489020  
1 1 1 3  27 7  o 16.44745 2.723762  2.747911       0.8403024 3.068826       1.470941  2.592445       1.023806  1.358757       5.447525  
1 1 1 3  27 8  o 88.29467 1.037355  77.86641       1.818639  79.32952       2.753464  76.73421       2.422160  1.460007       2.074710  
1 1 1 3  27 9  o 82.12390 1.085208  67.40628       1.780110  65.46800       2.443482  69.59843       2.598581  -2.509201      2.170416  
1 1 1 3  27 10 o 82.10324 1.020425  67.38513       1.659915  68.19642       2.533448  66.77489       2.197236  0.8528824      2.040850  
1 1 1 3  27 11 o 49.97269 0.9374332 25.00913       0.9368435 25.42489       1.326867  24.59584       1.322935  0.8292961      1.874866  
1 1 1 3  27 12 o 36.53955 1.185840  13.38387       0.8627836 11.74634       1.198353  15.14626       1.243203  -4.648281      2.371681  
1 1 1 3  27 13 o 13.41468 2.518023  1.688442       0.6794444 1.121009       0.8384312 2.773930       1.159639  -5.534303      5.036047  
1 1 1 3  27 14 o 44.13126 1.011584  18.81525       0.8342309 17.60493       0.9992566 21.59907       1.515474  -4.456852      2.023167  
1 1 1 3  27 15 f 19.28661 2.066755  3.818702       0.7948910 3.543643       1.135474  4.083053       1.113150  -1.407534      4.133511  
1 1 1 3  27 16 o 51.92017 1.138446  27.21441       1.171699  26.96186       1.774489  27.40963       1.560185  -0.4874458     2.276892  
1 1 1 3  27 17 o 13.63545 2.601587  2.029990       0.7955593 3.073012       1.091175  0.8464013      1.162380  6.508277       5.203175  
1 1 1 3  27 18 o 17.67471 2.622365  3.507061       0.9019955 2.937965       1.382868  3.928472       1.189981  -3.263037      5.244731  
1 1 1 3  27 19 o 24.61353 1.738321  6.406047       0.8551008 6.596052       1.200834  6.210593       1.217938  0.8027534      3.476643  
1 1 1 3  27 20 o 12.53824 3.230832  1.883983       0.9451240 1.961444       1.044087  1.532498       2.224077  0.3931017      6.461665  
1 1 1 3  27 21 o 9.077314 2.596468  0.6259515      0.7651840 0.3437200E-02  1.077367  1.259605       1.086964  -2.674814      5.192936  
1 1 1 3  28 0  o 156.7454 1.998957  246.1301       6.260958  243.8778       8.760220  248.4819       8.951544  0.000000       0.000000  
1 1 1 3  28 1  o 51.83399 0.9101151 26.87976       0.9434336 26.49830       1.333449  27.26211       1.334985  -0.7367592     1.820230  
1 1 1 3  28 2  o 128.8214 1.567262  165.5353       3.928802  163.4921       4.993283  168.8559       6.365669  -2.042320      3.134524  
1 1 1 3  28 3  o 36.67822 1.499726  12.99374       1.055135  11.91037       1.295843  15.12508       1.817569  -4.367092      2.999452  
1 1 1 3  28 4  o 36.01182 1.310249  12.99394       0.9428058 13.36637       1.318100  12.60380       1.349098  1.059666       2.620499  
1 1 1 3  28 5  o 67.84979 0.8929593 46.00982       1.211012  47.62959       1.749829  44.52080       1.677707  2.289314       1.785919  
1 1 1 3  28 6  o 55.54015 0.9510109 30.74100       1.048258  31.84792       1.596083  29.90135       1.390093  1.747475       1.902022  
1 1 1 3  28 7  o 128.3874 1.553422  164.8009       3.904628  166.7896       6.208121  163.4993       5.022405  1.231407       3.106844  
1 1 1 3  28 8  o 15.23230 2.530389  2.443182       0.7523192 2.287188       1.154596  2.558277       0.9917542 -0.8631449     5.060777  
1 1 1 3  28 9  o 131.4886 1.235667  173.1295       3.249245  171.3950       4.558819  174.9203       4.632316  -1.337372      2.471335  
1 1 1 3  28 10 o 119.6944 1.154474  143.5133       2.763657  144.2546       3.917959  142.7792       3.898912  0.6152878      2.308949  
1 1 1 3  28 11 o 38.74583 1.081451  15.03142       0.8349097 14.89366       1.130475  15.19674       1.238368  -0.3835068     2.162902  
1 1 1 3  28 12 o 74.49402 1.065964  55.70913       1.586579  56.94203       2.210802  54.39985       2.278240  1.713142       2.131927  
1 1 1 3  28 13 o 41.08225 0.9459592 16.92522       0.7772406 16.91231       1.100176  16.93807       1.098195  -0.3156281E-01 1.891918  
1 1 1 3  28 14 o 22.65238 1.979905  4.986209       0.8758417 3.957171       1.110793  6.677375       1.424002  -5.897846      3.959809  
1 1 1 3  28 15 o 27.18618 1.424424  7.394410       0.7313858 7.222075       0.8927990 7.746043       1.275302  -0.8486500     2.848848  
1 1 1 3  28 16 o 17.62999 2.401529  3.330431       0.8229594 3.596365       1.114521  3.011599       1.220345  2.040218       4.803057  
1 1 1 3  28 17 o 61.90092 1.165526  38.81279       1.441088  39.70898       2.100930  38.01647       1.980417  1.315540       2.331051  
1 1 1 3  28 18 f 37.49234 1.308653  14.26933       0.9775773 13.65136       1.315974  15.03025       1.460263  -1.762497      2.617306  
1 1 1 3  28 19 o 35.62753 1.686938  13.18192       1.192437  11.88899       1.569977  14.94468       1.833170  -3.993305      3.373875  
1 1 1 3  28 20 o 10.33442 3.169032  -0.1624212     0.9887838 -0.8577515     1.100736  2.743691       2.250319  -7.273626      6.338065  
1 1 1 3  28 21 o 9.551819 2.821608  0.8120956      0.9112545 0.2987091      1.240056  1.414776       1.343577  -2.194629      5.643217  
1 1 1 3  29 0  o 34.43101 2.133312  12.58231       1.304674  11.08527       2.341140  13.25667       1.571283  0.000000       0.000000  
1 1 1 3  29 1  o 190.4190 2.162416  365.6911       8.151810  380.3873       10.91456  347.1515       12.25901  8.786667       4.324831  
1 1 1 3  29 2  o 143.8025 1.420676  207.0842       4.046422  206.8047       6.163802  207.2959       5.364173  -0.1956329     2.841352  
1 1 1 3  29 3  o 100.5455 1.017750  100.8647       2.042213  96.82543       2.779802  105.6011       3.010187  -4.358368      2.035500  
1 1 1 3  29 4  o 102.4845 1.271338  105.5542       2.476082  103.8529       4.202646  106.4588       3.064428  -1.307411      2.542677  
1 1 1 3  29 5  o 21.64151 1.937049  4.407415       0.8108990 5.973557       1.375023  3.572282       1.004089  5.529661       3.874097  
1 1 1 3  29 6  o 25.51338 1.757163  6.578804       0.8888226 5.962477       1.305048  7.112016       1.213869  -2.257118      3.514327  
1 1 1 3  29 7  o 126.6378 1.469773  160.4327       3.508072  161.3992       6.089548  159.9527       4.291783  0.4904327      2.939547  
1 1 1 3  29 8  o 58.70544 0.9914085 34.55703       1.157625  33.88373       1.720965  35.11343       1.564461  -1.052605      1.982817  
1 1 1 3  29 9  o 60.48039 0.9319830 36.60494       1.126285  36.39254       1.557449  36.83779       1.630690  -0.3653641     1.863966  
1 1 1 3  29 10 o 43.62323 1.065776  19.10186       0.9260346 19.48122       1.261108  18.65796       1.364178  0.9503365      2.131553  
1 1 1 3  29 11 o 39.39088 1.013478  15.53176       0.7977432 16.46274       1.149667  14.66727       1.107853  2.275696       2.026957  
1 1 1 3  29 12 o 39.25544 1.055466  15.44217       0.8158894 15.56642       1.272525  15.35544       1.063174  0.2456779      2.110932  
1 1 1 3  29 13 o 56.91476 1.161779  32.47910       1.255105  32.78997       2.148680  32.31810       1.546342  0.3247795      2.323558  
1 1 1 3  29 14 o 58.34413 0.9713413 33.59787       1.080858  32.26476       1.328338  36.20994       1.859392  -3.286510      1.942683  
1 1 1 3  29 15 o 56.19635 1.161222  30.74005       1.183401  29.32572       1.389593  34.47342       2.257687  -4.362289      2.322444  
1 1 1 3  29 16 o 43.15319 1.187075  18.82950       1.022938  18.73310       1.406529  18.93774       1.490420  -0.2085037     2.374149  
1 1 1 3  29 17 o 26.96583 1.948234  7.686642       1.014877  6.954333       1.613117  8.166398       1.305657  -2.458893      3.896469  
1 1 1 3  29 18 o 75.37436 1.274140  57.96984       1.802357  57.29038       2.194104  59.37967       3.160512  -0.6805496     2.548279  
1 1 1 3  29 19 o 12.52926 2.782787  1.843556       0.7996165 1.285231       1.113747  2.437495       1.148720  -3.350945      5.565574  
1 1 1 3  29 20 o 14.37214 2.728892  2.590511       0.8002499 2.624217       1.100839  2.552736       1.165364  0.3495798      5.457784  
1 1 1 3  30 0  o 55.06308 1.246241  30.28960       1.365837  33.35023       2.005606  27.64250       1.865198  0.000000       0.000000  
1 1 1 3  30 1  o 103.2600 1.041463  106.7027       2.150762  107.4730       3.056496  105.9472       3.026990  0.7380676      2.082927  
1 1 1 3  30 2  o 82.96600 0.9430704 68.84882       1.564531  67.24513       2.187217  70.52911       2.238850  -1.977882      1.886141  
1 1 1 3  30 3  o 101.2837 1.431416  102.7212       2.899303  101.9318       4.066642  103.5373       4.134673  -0.7901154     2.862832  
1 1 1 3  30 4  o 60.59234 1.032980  36.63519       1.249131  35.19358       1.700391  38.32520       1.841060  -2.580452      2.065960  
1 1 1 3  30 5  o 92.72897 0.9890265 86.05116       1.834220  85.72610       2.589955  86.37820       2.598021  -0.3514023     1.978053  
1 1 1 3  30 6  o 32.88213 1.268323  10.82784       0.8340734 10.73046       1.180224  10.92499       1.178893  -0.2958412     2.536647  
1 1 1 3  30 7  o 75.45065 1.161175  56.27229       1.635258  59.01781       2.921862  55.02013       1.973232  2.612625       2.322350  
1 1 1 3  30 8  o 97.60480 1.111087  95.46285       2.148397  95.91597       2.852519  94.86893       3.265836  0.5535583      2.222173  
1 1 1 3  30 9  o 75.31798 1.006504  56.80458       1.503690  56.74380       2.001822  56.88329       2.277904  -0.7801056E-01 2.013008  
1 1 1 3  30 10 o 108.0546 1.084436  117.0054       2.343463  116.0224       3.295367  118.0111       3.333274  -0.9175262     2.168872  
1 1 1 3  30 11 o 10.66144 2.804445  0.7662725      0.7973760 0.3576647      1.016435  1.420126       1.285779  -3.354826      5.608890  
1 1 1 3  30 12 o 36.68548 1.125053  13.54629       0.8176335 13.24937       1.237429  13.77637       1.089300  -0.7366791     2.250105  
1 1 1 3  30 13 o 32.61938 1.115932  10.72607       0.7258952 11.57872       1.021407  9.855968       1.031814  2.642534       2.231863  
1 1 1 3  30 14 o 22.36514 1.993395  4.625047       0.7660101 4.203588       0.8657736 6.144159       1.643696  -4.005114      3.986790  
1 1 1 3  30 15 o 24.99052 1.549207  6.485949       0.7090149 6.710650       0.8557215 5.993882       1.266317  1.584435       3.098415  
1 1 1 3  30 16 o 24.77560 1.861850  6.284883       0.9201785 6.817535       1.360695  5.836010       1.249111  1.919073       3.723701  
1 1 1 3  30 17 o 52.36427 1.114739  27.79548       1.163712  27.69392       1.582615  27.91504       1.717071  -0.1514244     2.229477  
1 1 1 3  30 18 o 16.99621 3.015651  3.495754       1.024106  3.378882       1.487728  3.601009       1.411857  -0.7351055     6.031302  
1 1 1 3  30 19 o 12.07926 2.994295  1.733724       0.9004356 1.476403       1.294857  1.974675       1.252992  -1.264192      5.988589  
1 1 1 3  30 20 o 12.72421 2.857654  2.010574       0.9491141 3.228687       1.274357  0.4932294      1.422295  6.546767       5.715307  
1 1 1 3  31 0  o 66.61894 1.530809  44.48232       1.924156  44.32523       2.362649  44.79170       3.315820  0.000000       0.000000  
1 1 1 3  31 1  o 63.15959 1.028828  39.92086       1.299577  39.53669       1.833872  40.30840       1.841912  -0.6107101     2.057656  
1 1 1 3  31 2  o 73.07057 0.9118838 53.43103       1.332483  52.93389       1.893093  53.91915       1.875856  -0.6745834     1.823768  
1 1 1 3  31 3  o 65.89117 0.9767637 43.26985       1.271749  42.33948       1.665643  44.57037       1.969305  -1.684959      1.953527  
1 1 1 3  31 4  o 59.20580 0.9260654 35.06773       1.096382  35.59698       1.568344  34.56188       1.533287  0.8732262      1.852131  
1 1 1 3  31 5  o 138.3319 1.386639  191.9614       3.809442  194.1144       5.110011  189.2681       5.715412  1.777985       2.773278  
1 1 1 3  31 6  f 113.6141 1.209489  129.1043       2.718084  128.2141       3.581936  130.3128       4.173400  -0.8995895     2.418979  
1 1 1 3  31 7  o 34.07549 1.308383  11.66112       0.8888904 10.65839       1.262148  12.64791       1.252074  -2.919762      2.616766  
1 1 1 3  31 8  o 43.96764 1.131061  19.01200       0.9808032 17.38692       1.266214  21.44958       1.550781  -4.604717      2.262121  
1 1 1 3  31 9  f 95.96678 1.024117  92.27506       1.965609  92.59713       2.778050  91.95221       2.781536  0.3362427      2.048234  
1 1 1 3  31 10 o 34.42695 1.360545  12.13519       0.9043580 12.89675       1.159981  10.95487       1.444112  2.853687       2.721090  
1 1 1 3  31 11 o 8.183886 2.538896  -0.2401218     0.7630606 -0.3085140     0.9462513 -0.1129474     1.290337  -1.699107      5.077792  
1 1 1 3  31 12 o 66.44243 1.040770  44.28634       1.382444  43.05834       1.921682  45.60356       1.990262  -1.906075      2.081539  
1 1 1 3  31 13 o 33.00848 1.106970  10.97661       0.7299386 11.46978       1.025801  10.47076       1.038902  1.515919       2.213940  
1 1 1 3  31 14 o 22.99302 1.375731  5.337965       0.6306680 5.949110       0.9115784 4.776886       0.8734422 2.537924       2.751463  
1 1 1 3  31 15 o 30.78065 1.325683  9.651383       0.7902900 9.783433       1.004112  9.436434       1.281098  0.6679325      2.651367  
1 1 1 3  31 16 o 23.27509 1.929779  5.804052       0.7775310 6.000466       0.9082950 5.265401       1.504160  1.990618       3.859557  
1 1 1 3  31 17 o 25.50855 1.985083  6.962899       0.9863362 7.687387       1.306034  6.001163       1.504759  3.474676       3.970166  
1 1 1 3  31 18 o 44.41128 1.427312  20.16477       1.206901  19.47210       1.484024  21.51776       2.074083  -1.748020      2.854623  
1 1 1 3  31 19 o 8.805969 2.617412  0.4555820      0.7905596 0.1560846      1.136672  0.7361972      1.100257  -1.045826      5.234825  
1 1 1 3  31 20 o 14.70508 2.710236  2.842685       0.8405271 1.902387       1.169549  3.847143       1.208791  -5.641837      5.420473  
1 1 1 3  32 0  o 46.71123 1.330478  21.88736       1.236792  20.39264       1.705481  23.54535       1.796220  0.000000       0.000000  
1 1 1 3  32 1  f 37.54947 1.096325  14.11480       0.8227239 14.82529       1.169354  13.41834       1.157747  1.873096       2.192650  
1 1 1 3  32 2  o 34.90705 1.124496  12.19167       0.7847981 11.76672       1.097520  12.63629       1.122651  -1.244728      2.248992  
1 1 1 3  32 3  o 50.14241 0.9670733 25.17452       0.9690719 26.35266       1.371723  24.00067       1.369229  2.345238       1.934147  
1 1 1 3  32 4  o 87.61343 0.9828035 76.83539       1.721949  78.09563       2.434236  75.57312       2.436174  1.439621       1.965607  
1 1 1 3  32 5  o 103.2472 1.069119  106.6538       2.206920  104.3329       3.072376  109.1279       3.172125  -2.318474      2.138239  
1 1 1 3  32 6  o 58.89072 0.9638094 34.69367       1.134839  33.65368       1.583435  35.79206       1.627272  -1.814003      1.927619  
1 1 1 3  32 7  o 109.0606 1.095844  119.0931       2.389835  120.8599       3.419811  117.4068       3.341039  1.579117       2.191689  
1 1 1 3  32 8  o 64.87097 1.005329  42.16822       1.284611  42.21031       1.677759  42.10857       1.997114  0.9887695E-01  2.010658  
1 1 1 3  32 9  o 31.46523 1.497001  10.22390       0.8962272 10.96225       1.131777  8.982388       1.467585  3.183573       2.994002  
1 1 1 3  32 10 o 94.81981 1.013605  90.17245       1.922196  90.15274       2.717656  90.19218       2.719136  -0.2066040E-01 2.027210  
1 1 1 3  32 11 o 62.07549 1.232117  37.63701       1.449457  35.49758       1.762820  42.10228       2.546729  -5.207306      2.464234  
1 1 1 3  32 12 o 19.06977 1.720296  3.688998       0.6555254 3.507406       0.9262496 3.871221       0.9278583 -0.9534454     3.440591  
1 1 1 3  32 13 o 25.85591 1.356512  6.721764       0.6984972 7.658376       1.027744  5.917744       0.9522219 3.343981       2.713024  
1 1 1 3  32 14 o 20.20834 1.619583  4.145371       0.6530721 4.296695       0.9629834 4.016507       0.8886549 0.6647987      3.239166  
1 1 1 3  32 15 o 32.00308 1.307329  10.09392       0.7844436 9.588330       0.9453954 11.21135       1.405479  -2.366255      2.614659  
1 1 1 3  32 16 o 53.65752 1.180171  29.20926       1.129882  29.18666       1.327151  29.26878       2.153864  0.2889977      2.360343  
1 1 1 3  32 17 o 43.85513 1.373919  19.97694       1.181571  19.11760       1.837666  20.58259       1.542747  -1.910442      2.747838  
1 1 1 3  32 18 o 41.77649 1.351163  17.76214       1.103257  16.41789       1.397627  19.98467       1.797112  -3.849533      2.702326  
1 1 1 3  32 19 o 10.19571 2.689084  0.9196354      0.8624496 -0.5582256     1.311726  2.045000       1.144650  -5.004501      5.378167  
1 1 1 3  33 0  o 78.50551 1.348899  61.78110       2.114978  60.90674       2.969513  62.68126       3.013023  0.000000       0.000000  
1 1 1 3  33 1  o 151.6454 1.384525  230.3069       4.198361  233.2342       6.007736  227.5128       5.869438  1.880280       2.769050  
1 1 1 3  33 2  o 60.18015 0.9463013 36.24637       1.138967  36.33318       1.613337  36.16011       1.608161  0.1436348      1.892603  
1 1 1 3  33 3  o 51.64959 0.9905472 26.68667       1.022791  26.21474       1.421563  27.19315       1.472682  -0.9454498     1.981094  
1 1 1 3  33 4  o 152.7740 1.513525  234.4161       4.593627  229.4721       6.867063  238.4201       6.179880  -2.964645      3.027050  
1 1 1 3  33 5  o 38.87020 1.133080  15.10515       0.8801103 15.75949       1.276882  14.51292       1.214767  1.600819       2.266160  
1 1 1 3  33 6  o 112.2027 1.123775  126.1035       2.521788  126.0273       3.558109  126.1806       3.574644  -0.6745911E-01 2.247551  
1 1 1 3  33 7  f 84.79752 0.9885636 71.99300       1.675869  70.76131       2.330117  73.31285       2.412081  -1.499390      1.977127  
1 1 1 3  33 8  o 104.8019 1.175740  110.4534       2.437483  112.3892       3.233512  107.9056       3.709557  2.178314       2.351479  
1 1 1 3  33 9  o 86.70372 1.081656  75.39446       1.847316  75.53984       2.874098  75.29211       2.411391  0.9463501E-01  2.163313  
1 1 1 3  33 10 o 67.55731 1.054073  45.71309       1.422966  43.65777       1.965136  47.97865       2.063198  -3.186920      2.108145  
1 1 1 3  33 11 o 36.31156 1.266451  12.47777       0.8743287 10.92687       1.057299  15.83228       1.554965  -6.670536      2.532902  
1 1 1 3  33 12 o 27.64782 1.311239  7.711709       0.7219619 7.723784       1.071852  7.701681       0.9767751 0.1695442E-01  2.622479  
1 1 1 3  33 13 o 23.30724 1.524497  5.578189       0.6996365 5.012016       1.052256  6.026812       0.9366708 -2.214212      3.048995  
1 1 1 3  33 14 o 31.98251 1.129171  10.30633       0.7211898 9.845921       0.9873750 10.83288       1.055903  -1.521004      2.258343  
1 1 1 3  33 15 o 15.46017 2.389520  2.534844       0.6894293 2.343080       0.8472901 2.910578       1.186007  -1.457851      4.779040  
1 1 1 3  33 16 o 10.22686 2.723978  0.8281913      0.7007735 0.6653544      0.8303044 1.231407       1.306561  -2.518896      5.447955  
1 1 1 3  33 17 o 27.54594 1.914658  8.407004       1.000282  9.342171       1.282723  6.955892       1.597859  4.728117       3.829316  
1 1 1 3  33 18 o 9.186027 2.766860  0.4512119      0.8835502 0.4666831      1.151316  0.4290454      1.378098  -0.4556808     5.533720  
1 1 1 3  33 19 o 12.23766 2.911641  1.895617       0.8435058 1.824191       1.186492  1.968607       1.199408  -0.3934536     5.823281  
1 1 1 3  34 0  o 276.7087 3.395548  770.4337       18.77419  760.9215       26.20134  780.4708       26.91446  0.000000       0.000000  
1 1 1 3  34 1  o 136.3372 1.277184  186.1171       3.481886  183.2815       4.866103  189.0922       4.984284  -2.125778      2.554369  
1 1 1 3  34 2  o 35.41043 1.255512  12.56824       0.8826544 14.63371       1.270616  10.64200       1.227048  5.634422       2.511023  
1 1 1 3  34 3  o 88.84680 0.9957892 78.96171       1.768494  77.35034       2.452570  80.70702       2.552478  -1.885323      1.991578  
1 1 1 3  34 4  o 157.6871 1.556984  249.7197       4.870732  246.4167       7.344763  252.3125       6.507497  -1.923172      3.113968  
1 1 1 3  34 5  o 73.17054 0.9642479 53.59555       1.410558  53.11137       1.964304  54.11105       2.026825  -0.6800842     1.928496  
1 1 1 3  34 6  o 31.03204 1.321520  9.636949       0.8187140 10.03506       1.202295  9.292724       1.117971  1.188948       2.643039  
1 1 1 3  34 7  o 48.19884 1.133566  22.72063       1.064678  20.94563       1.340053  25.75904       1.753253  -4.960873      2.267132  
1 1 1 3  34 8  o 65.40942 1.094571  42.91916       1.431821  43.57274       2.031135  42.27353       2.018724  0.9918594      2.189142  
1 1 1 3  34 9  o 14.61869 2.532528  2.219149       0.7263702 2.548392       1.142067  1.995494       0.9412871 1.761002       5.065056  
1 1 1 3  34 10 o 106.6463 1.085238  114.2195       2.314678  114.5130       3.286559  113.9306       3.260495  0.2693863      2.170477  
1 1 1 3  34 11 o 52.81700 1.116846  28.24573       1.165319  29.28716       1.549244  26.88874       1.768444  2.314896       2.233693  
1 1 1 3  34 12 o 30.39240 1.230648  9.494740       0.7337168 8.060658       1.092673  10.67233       0.9901507 -4.323341      2.461296  
1 1 1 3  34 13 o 32.59500 1.127565  10.69309       0.7342534 10.08340       1.013431  11.36679       1.065291  -1.954739      2.255131  
1 1 1 3  34 14 o 25.76026 1.593886  6.686848       0.7865570 6.485175       0.9743673 7.064114       1.332671  -0.9630909     3.187772  
1 1 1 3  34 15 o 24.35204 1.739983  5.712310       0.7839582 5.119689       0.9259214 7.212761       1.473318  -3.946529      3.479966  
1 1 1 3  34 16 f 11.16118 3.006294  1.187369       0.9249030 1.056140       1.228982  1.358770       1.404550  -0.9695024     6.012587  
1 1 1 3  34 17 o 40.74896 1.309251  17.02411       1.061855  15.03881       1.431477  19.45307       1.583364  -5.275433      2.618502  
1 1 1 3  34 18 o 20.61568 2.145475  4.861113       0.8452986 5.423968       1.146724  4.191315       1.250927  3.462763       4.290950  
1 1 1 3  34 19 o 19.46485 2.651622  4.823345       1.001782  4.996057       1.345196  4.608295       1.501049  1.875568       5.303244  
1 1 1 3  35 0  o 82.09042 1.383253  67.56602       2.267922  68.24520       3.236656  66.91090       3.178778  0.000000       0.000000  
1 1 1 3  35 1  o 76.73775 0.9454645 58.90631       1.450528  60.58685       2.085461  57.33138       2.018872  2.118591       1.890929  
1 1 1 3  35 2  o 114.3673 1.136294  130.9984       2.598971  130.2424       3.653877  131.7725       3.697511  -0.6667938     2.272587  
1 1 1 3  35 3  o 74.39362 0.9557081 55.38080       1.421547  53.77140       1.983518  57.08039       2.038344  -2.221428      1.911416  
1 1 1 3  35 4  o 131.7317 1.257540  173.9714       3.313014  175.0317       4.712036  172.9348       4.659033  0.7920074      2.515080  
1 1 1 3  35 5  o 48.67196 1.139058  23.43463       1.072442  22.57225       1.343259  24.95072       1.781041  -2.410969      2.278116  
1 1 1 3  35 6  o 45.21050 1.163981  20.38481       1.035265  21.10025       1.629731  19.90080       1.340466  1.302452       2.327962  
1 1 1 3  35 7  o 49.56977 1.154290  24.67111       1.141083  24.48909       1.675049  24.82871       1.558696  -0.3551788     2.308580  
1 1 1 3  35 8  o 71.51138 1.013633  51.10947       1.435766  52.59949       2.201769  50.00712       1.893810  1.779808       2.027266  
1 1 1 3  35 9  o 78.33860 1.013651  61.74232       1.575665  62.89848       2.111612  60.28980       2.366813  1.696564       2.027302  
1 1 1 3  35 10 o 72.70916 0.9925289 52.91033       1.429371  54.43752       2.192061  51.78065       1.885312  1.778702       1.985058  
1 1 1 3  35 11 o 55.64040 1.110251  31.19541       1.232390  31.45727       1.688196  30.89665       1.803209  0.5295410      2.220502  
1 1 1 3  35 12 o 16.31419 2.023368  2.772374       0.6457385 2.916887       0.9093259 2.625364       0.9171486 1.152227       4.046735  
1 1 1 3  35 13 o 25.93290 1.319662  6.819308       0.6843677 6.972534       0.9731181 6.669361       0.9626509 0.5805721      2.639324  
1 1 1 3  35 14 o 12.69741 2.449471  1.756172       0.6458585 1.412629       0.8920407 2.134675       0.9363317 -2.472991      4.898942  
1 1 1 3  35 15 o 19.27351 2.263310  3.515673       0.8020824 5.415241       1.494721  2.747495       0.9505258 6.680042       4.526621  
1 1 1 3  35 16 o 16.15628 2.587102  3.174173       0.8256886 3.773781       1.051607  2.210306       1.333300  5.179895       5.174203  
1 1 1 3  35 17 o 27.72596 1.983047  8.139091       1.073420  9.389925       1.758804  7.396624       1.355052  2.965469       3.966095  
1 1 1 3  35 18 o 29.07315 1.575519  8.992214       0.9108949 7.771153       1.243200  10.40759       1.338469  -4.384867      3.151038  
1 1 1 3  36 0  o 7.833559 3.432797  0.5030550      1.040792  0.5516462      1.404086  0.4437937      1.550602  0.000000       0.000000  
1 1 1 3  36 1  f 57.30863 0.9564639 32.89113       1.096217  32.97429       1.559041  32.80981       1.541674  0.1425476      1.912928  
1 1 1 3  36 2  o 73.17288 0.9709674 53.62343       1.420852  53.06501       1.993748  54.19973       2.025403  -0.7734756     1.941935  
1 1 1 3  36 3  o 127.1238 1.335234  162.3728       3.359286  163.8259       4.451972  160.4516       5.119073  1.384933       2.670467  
1 1 1 3  36 4  o 57.97462 1.327233  33.15809       1.481655  31.73558       1.841645  35.76837       2.494728  -3.421082      2.654467  
1 1 1 3  36 5  o 78.65425 1.145415  62.04510       1.801244  62.15822       2.581712  61.93781       2.514311  0.1339645      2.290831  
1 1 1 3  36 6  o 26.20409 1.483028  6.910179       0.7759531 6.957618       1.069287  6.857407       1.127774  0.1995125      2.966055  
1 1 1 3  36 7  o 73.40964 1.019133  54.09239       1.485927  53.74212       2.232936  54.37078       1.990699  -0.4540634     2.038267  
1 1 1 3  36 8  o 48.34610 1.061684  23.47466       1.022491  23.61260       1.387885  23.31093       1.512131  0.3275642      2.123369  
1 1 1 3  36 9  o 29.36475 1.507220  8.549914       0.8453788 9.208233       1.448909  8.210139       1.040924  1.612747       3.014441  
1 1 1 3  36 10 o 27.62273 1.338237  7.701473       0.7393095 7.701721       1.047530  7.701226       1.043564  -0.8201599E-04 2.676473  
1 1 1 3  36 11 o 18.84773 2.138127  3.719822       0.7658858 3.794050       0.9869683 3.607467       1.214275  0.8872108      4.276255  
1 1 1 3  36 12 o 8.367977 2.447941  0.2041289      0.6705449 -0.5791290E-01 0.9041433 0.5244326      0.9996154 -1.647715      4.895882  
1 1 1 3  36 13 o 29.28025 1.232930  8.681219       0.7214160 9.119618       1.023526  8.248412       1.016978  1.485397       2.465860  
1 1 1 3  36 14 o 15.98211 2.359960  2.803753       0.7168230 2.712142       1.141862  2.863338       0.9208913 -0.7116442     4.719921  
1 1 1 3  36 15 o 12.74636 2.646133  1.791607       0.7289535 1.302983       0.9714574 2.421261       1.102776  -3.511789      5.292265  
1 1 1 3  36 16 o 15.61157 2.428784  3.715482       0.8321820 4.862238       0.9489822 -0.1018532     1.731421  11.89029       4.857569  
1 1 1 3  36 17 o 33.48465 1.386821  12.20937       0.8682253 13.26489       1.086181  10.34148       1.444918  4.807772       2.773641  
1 1 1 3  36 18 o 10.17838 3.136255  0.8610486      1.097177  0.6872488      2.213912  0.9176311      1.263213  0.8831968      6.272511  
1 1 1 3  37 0  o 137.0494 2.279255  185.7407       5.719223  180.9719       6.797619  197.2968       10.58175  0.000000       0.000000  
1 1 1 3  37 1  o 66.78235 1.289356  44.06722       1.654719  42.41795       2.053499  47.12104       2.794280  -3.458244      2.578712  
1 1 1 3  37 2  o 85.93193 1.262124  73.13866       1.987380  71.78149       2.364599  76.40395       3.667740  -2.577614      2.524249  
1 1 1 3  37 3  o 80.42810 0.9862731 64.82570       1.586398  64.90965       2.255796  64.74354       2.231413  0.1013870      1.972546  
1 1 1 3  37 4  o 31.84002 1.309081  10.07914       0.8264939 9.442842       1.087090  10.95075       1.272323  -2.345808      2.618162  
1 1 1 3  37 5  o 47.68596 1.068614  22.80244       1.010507  22.89053       1.533425  22.73483       1.343483  0.1431007      2.137228  
1 1 1 3  37 6  o 75.19039 1.094001  56.69928       1.644419  54.38857       2.295255  59.13618       2.357097  -3.149933      2.188001  
1 1 1 3  37 7  f 90.44289 1.217435  82.07072       2.088976  82.64185       3.577656  81.77528       2.573173  0.3351517      2.434870  
1 1 1 3  37 8  o 32.07218 1.207701  10.34128       0.7744731 10.01684       1.085830  10.67726       1.104961  -1.026407      2.415402  
1 1 1 3  37 9  o 30.71391 1.273161  9.508740       0.7799110 10.48824       1.119165  8.583987       1.087441  3.092609       2.546323  
1 1 1 3  37 10 o 19.54285 1.798572  3.882021       0.6981410 4.545065       1.017591  3.292396       0.9595999 3.182682       3.597143  
1 1 1 3  37 11 o 47.99435 1.201322  23.54791       1.077455  24.11496       1.317488  22.40280       1.872245  1.934917       2.402644  
1 1 1 3  37 12 o 60.91864 1.055496  37.35776       1.256561  37.03040       1.610818  37.86661       2.008299  -0.5663033     2.110992  
1 1 1 3  37 13 o 49.32912 0.9808641 24.55326       0.9670937 23.64855       1.339794  25.53741       1.397376  -1.893196      1.961728  
1 1 1 3  37 14 o 13.96112 2.440842  2.143270       0.6871915 1.615308       0.9561457 2.707366       0.9883239 -3.592957      4.881684  
1 1 1 3  37 15 o 24.61561 1.719987  6.337004       0.8365434 6.041193       1.091325  6.758454       1.302626  -1.217230      3.439974  
1 1 1 3  37 16 o 26.33184 1.782463  7.758935       0.8132802 8.195019       0.9592111 6.643826       1.533871  3.696230       3.564927  
1 1 1 3  37 17 o 44.55602 1.275901  20.93214       1.126550  23.22137       1.559693  18.43517       1.628925  5.458801       2.551801  
1 1 1 3  37 18 o 37.05706 1.478628  14.76099       1.089409  15.48422       1.645661  14.19680       1.453487  1.369179       2.957256  
1 1 1 3  38 0  o 64.85454 1.323116  42.24200       1.709491  41.97837       2.340063  42.54370       2.503363  0.000000       0.000000  
1 1 1 3  38 1  o 26.34586 1.509737  7.033549       0.7883669 6.022697       1.124148  8.011874       1.105913  -3.777639      3.019474  
1 1 1 3  38 2  o 40.82847 1.083526  16.74451       0.8834419 17.67098       1.243272  15.79963       1.255569  2.292984       2.167053  
1 1 1 3  38 3  o 31.19073 1.344425  9.750854       0.8313488 9.979949       1.268464  9.578348       1.100711  0.6213932      2.688851  
1 1 1 3  38 4  o 10.79862 2.832311  0.8105574      0.8131364 1.451125       1.300260  0.3991508      1.042038  3.270002       5.664622  
1 1 1 3  38 5  o 70.45564 0.9875432 49.78853       1.384530  49.76026       2.063920  49.81166       1.866911  -0.5718994E-01 1.975086  
1 1 1 3  38 6  o 72.46214 0.9948492 52.68487       1.430641  52.74213       2.162081  52.64026       1.908102  0.3879547E-01  1.989698  
1 1 1 3  38 7  o 74.99689 0.9527289 56.44951       1.428967  56.89845       2.016999  55.99710       2.024752  0.6019440      1.905458  
1 1 1 3  38 8  o 71.06577 0.9377025 50.73428       1.332679  50.78739       1.874240  50.67997       1.895322  0.7919312E-01  1.875405  
1 1 1 3  38 9  o 8.857778 2.535195  0.3088295      0.7064935 -0.3954756E-01 0.9495647 0.7408027      1.057373  -2.137758      5.070390  
1 1 1 3  38 10 o 18.30711 2.025303  3.503312       0.7108325 2.731654       0.9890586 4.327718       1.022304  -4.594032      4.050605  
1 1 1 3  38 11 o 41.18317 1.142444  16.83665       0.9088709 16.02985       1.133907  18.28643       1.519999  -2.614792      2.284888  
1 1 1 3  38 12 o 19.57962 1.758593  3.940691       0.6883936 4.084342       0.9784262 3.799877       0.9687176 0.7209721      3.517185  
1 1 1 3  38 13 f 52.49212 1.051457  27.88916       1.094403  27.84827       1.455531  27.94235       1.659984  -0.4695892E-02 2.102913  
1 1 1 3  38 14 o 10.41615 2.602462  1.088985       0.6755487 1.407497       1.027374  0.8463706      0.8966526 1.830735       5.204923  
1 1 1 3  38 15 o 18.59513 2.210915  3.809949       0.7902257 4.824671       1.160353  2.932272       1.079155  5.243607       4.421830  
1 1 1 3  38 16 o 46.65829 1.244423  22.74526       1.109067  23.00243       1.384650  22.28495       1.852454  1.296478       2.488847  
1 1 1 3  38 17 o 14.05083 2.860900  2.450803       0.8300496 2.044703       1.051259  3.123126       1.352639  -2.659766      5.721800  
1 1 1 3  39 0  o 52.63345 1.731267  27.85464       1.807468  26.33679       2.433444  29.72255       2.699500  0.000000       0.000000  
1 1 1 3  39 1  o 66.78175 1.169854  44.66702       1.537609  45.40443       2.407122  44.15873       1.998469  0.8826370      2.339708  
1 1 1 3  39 2  o 99.02042 1.317606  98.79908       2.576203  96.99571       3.952624  100.1309       3.396818  -1.659981      2.635212  
1 1 1 3  39 3  o 32.05421 1.235356  10.34820       0.7887205 11.44091       1.116663  9.260341       1.114180  3.401047       2.470712  
1 1 1 3  39 4  o 63.97037 0.9200572 41.00272       1.176013  40.29313       1.622570  41.78798       1.706900  -1.159279      1.840114  
1 1 1 3  39 5  o 60.32504 0.9404016 36.50380       1.133812  36.36543       1.573101  36.65340       1.635631  -0.2310486     1.880803  
1 1 1 3  39 6  f 41.79269 1.153292  17.55973       0.9637876 18.02447       1.377803  17.11445       1.348667  1.083607       2.306584  
1 1 1 3  39 7  o 23.10529 1.537250  5.429755       0.7055488 5.138990       1.043281  5.674817       0.9577856 -1.183474      3.074500  
1 1 1 3  39 8  o 79.10522 0.9722916 62.88689       1.537084  61.72652       2.125048  64.16013       2.225992  -1.517036      1.944583  
1 1 1 3  39 9  o 26.14173 1.476573  6.974285       0.7664252 7.603368       1.057758  6.278957       1.112057  2.550545       2.953146  
1 1 1 3  39 10 o 37.24288 1.295075  14.00873       0.9246407 13.91246       1.152315  14.18280       1.549437  -0.2260399     2.590151  
1 1 1 3  39 11 o 18.69472 2.287919  3.760853       0.8053584 3.970061       1.031754  3.434600       1.288438  1.918413       4.575839  
1 1 1 3  39 12 o 18.62666 2.110058  3.624973       0.7859118 3.547994       1.098625  3.705654       1.124729  -0.4034328     4.220117  
1 1 1 3  39 13 o 26.33743 1.473853  7.065280       0.7736400 7.867916       1.148111  6.397735       1.047045  2.729090       2.947707  
1 1 1 3  39 14 o 22.51691 1.731145  5.319644       0.7689009 5.617577       1.202199  5.113410       1.000228  0.8825150      3.462290  
1 1 1 3  39 15 o 45.14772 1.097354  20.89225       0.9879007 20.50659       1.341086  21.34981       1.460780  -0.8312187     2.194707  
1 1 1 3  39 16 o 9.943361 2.815941  0.9596878      0.8290184 0.9085424      1.042670  1.047589       1.366913  -0.7733297     5.631882  
1 1 1 3  39 17 o 27.00505 2.043605  8.561718       1.056568  9.160525       1.357714  7.642291       1.682379  3.651937       4.087209  
1 1 1 3  40 0  o 19.06533 3.019642  4.105433       0.9996746 5.886480       1.510728  2.718094       1.333338  0.000000       0.000000  
1 1 1 3  40 1  o 45.98400 0.9592175 21.21104       0.8821320 20.92405       1.243586  21.50168       1.251498  -0.6271629     1.918435  
1 1 1 3  40 2  o 57.81761 1.001407  33.54212       1.150103  33.49244       1.538917  33.60498       1.730948  -0.7303619E-01 2.002814  
1 1 1 3  40 3  o 21.99494 1.517956  4.887311       0.6663955 4.568240       0.9477206 5.199350       0.9372182 -1.436743      3.035911  
1 1 1 3  40 4  o 40.70648 1.030681  16.61063       0.8383648 17.51104       1.214316  15.79056       1.158880  2.105293       2.061363  
1 1 1 3  40 5  o 55.42491 0.9380790 30.84815       1.039687  30.47781       1.454333  31.23527       1.486886  -0.6778793     1.876158  
1 1 1 3  40 6  o 38.91236 1.097939  15.17014       0.8525729 14.13884       1.161083  16.37683       1.255935  -2.856403      2.195878  
1 1 1 3  40 7  o 33.91960 1.235314  11.75993       0.8248499 12.67713       1.102297  10.59280       1.243443  3.109707       2.470628  
1 1 1 3  40 8  o 29.89724 1.298972  9.012529       0.7758110 8.638956       1.066262  9.432779       1.130916  -1.309271      2.597943  
1 1 1 3  40 9  o 52.63865 1.121776  28.09723       1.158564  28.68724       1.508557  27.24882       1.808969  1.453163       2.243551  
1 1 1 3  40 10 o 22.95247 1.795318  5.180810       0.8059358 6.586469       1.317523  4.340348       1.018772  4.740519       3.590635  
1 1 1 3  40 11 o 36.56290 1.718342  14.05343       1.164253  14.54902       1.419956  13.03682       2.033718  2.453751       3.436683  
1 1 1 3  40 12 o 82.92801 1.079579  69.27162       1.770877  67.21596       2.322912  72.12418       2.736372  -2.787018      2.159158  
1 1 1 3  40 13 o 53.95178 1.065970  29.77687       1.139657  28.84714       1.716447  30.50988       1.524083  -1.664547      2.131941  
1 1 1 3  40 14 o 41.29493 1.101517  17.38993       0.9073895 19.13310       1.334482  15.89095       1.237486  3.848583       2.203034  
1 1 1 3  40 15 o 9.822580 2.843072  0.8280778      0.8614873 0.8104317      1.072962  0.8600912      1.445192  -0.7469549     5.686144  
1 1 1 3  40 16 o 35.57253 1.493492  14.24315       0.9837223 18.97633       1.346691  8.828187       1.440420  14.40182       2.986984  
1 1 1 3  41 0  o 78.41702 1.342044  61.81813       2.101903  62.35405       2.993940  61.29727       2.951591  0.000000       0.000000  
1 1 1 3  41 1  o 43.80372 1.000529  19.27463       0.8762085 19.62141       1.230006  18.91734       1.248493  0.8064003      2.001058  
1 1 1 3  41 2  o 52.82928 0.9596937 28.02402       1.013041  28.08824       1.465579  27.96527       1.401858  0.1065102      1.919387  
1 1 1 3  41 3  o 70.08540 1.025778  49.66013       1.423080  47.25220       2.142505  51.56114       1.903677  -3.118172      2.051556  
1 1 1 3  41 4  o 56.47269 0.9368541 32.02972       1.057996  32.74933       1.507532  31.33129       1.485183  1.251678       1.873708  
1 1 1 3  41 5  o 46.65257 0.9986234 21.87451       0.9314438 21.20922       1.297999  22.58080       1.337406  -1.461987      1.997247  
1 1 1 3  41 6  o 33.12184 1.154034  11.06074       0.7635865 11.75472       1.086316  10.38298       1.073545  2.067627       2.308069  
1 1 1 3  41 7  o 46.29496 1.031391  21.61642       0.9530922 22.60761       1.328846  20.56635       1.367748  2.213505       2.062782  
1 1 1 3  41 8  o 21.93621 1.886495  4.656459       0.7950982 3.992548       0.9733753 5.987704       1.378333  -4.348055      3.772989  
1 1 1 3  41 9  o 17.50916 2.399951  3.520268       0.7807128 2.394379       1.265963  4.211245       0.9917563 -5.538418      4.799901  
1 1 1 3  41 10 o 26.19029 1.689402  7.068197       0.8842577 6.753716       1.249330  7.383888       1.251732  -1.201553      3.378804  
1 1 1 3  41 11 o 54.08598 1.349588  30.35989       1.320113  31.08673       1.574915  28.64275       2.420697  2.703995       2.699176  
1 1 1 3  41 12 o 23.49062 1.800919  5.813883       0.8427753 5.647017       1.235752  5.958985       1.152344  -0.7482319     3.601837  
1 1 1 3  41 13 o 8.738806 2.616914  0.2822871      0.7768070 0.5814310      1.229693  0.8364157E-01  1.002065  1.622396       5.233828  
1 1 1 3  41 14 o 23.38350 1.945127  5.868151       0.8955080 5.533286       1.156329  6.369944       1.415495  -1.380316      3.890254  
1 1 1 3  41 15 o 22.48553 2.391461  6.112995       0.9830191 6.883417       1.267292  4.949205       1.557577  5.274906       4.782922  
1 1 1 3  41 16 o 14.91543 3.231780  3.033712       1.037160  4.362845       1.723827  2.279578       1.298476  4.356699       6.463559  
1 1 1 3  42 0  o 22.73766 2.431242  5.541521       1.025354  4.687457       1.399407  6.531525       1.506666  0.000000       0.000000  
1 1 1 3  42 1  o 30.84176 1.234833  9.534338       0.7578070 10.99895       1.114030  8.272947       1.033857  4.401121       2.469666  
1 1 1 3  42 2  o 109.4976 1.119918  120.5009       2.449831  125.1063       3.569187  116.3985       3.368669  3.933182       2.239837  
1 1 1 3  42 3  o 15.49946 2.253235  2.560284       0.6751971 2.314723       0.9490870 2.811925       0.9607658 -1.596946      4.506469  
1 1 1 3  42 4  o 68.98665 0.9436210 47.79343       1.301094  49.40422       1.882060  46.31892       1.800686  2.219658       1.887242  
1 1 1 3  42 5  o 88.25960 1.012272  78.24400       1.785094  75.44871       2.458604  81.36045       2.596005  -3.319557      2.024545  
1 1 1 3  42 6  o 47.25875 1.143807  22.52390       1.059244  22.52602       1.367946  22.52073       1.673954  0.8544922E-01  2.287614  
1 1 1 3  42 7  o 10.85598 2.768124  1.089671       0.7714397 0.8973363      1.166586  1.239138       1.028395  -0.6381960     5.536248  
1 1 1 3  42 8  o 46.16519 1.146093  21.54044       1.053375  21.56846       1.424206  21.50661       1.565141  0.1128998      2.292186  
1 1 1 3  42 9  o 69.84807 1.053368  49.36818       1.460795  49.12823       2.199220  49.55764       1.954173  -0.4008179     2.106736  
1 1 1 3  42 10 o 13.78293 2.434952  1.947218       0.7276286 0.8027527      0.9636905 3.464865       1.109741  -8.185261      4.869903  
1 1 1 3  42 11 o 10.16951 2.826603  0.8218082      0.8394030 1.062664       1.045611  0.3852145      1.407765  0.6389008      5.653205  
1 1 1 3  42 12 o 34.59549 1.340343  12.22567       0.9194276 13.55354       1.417741  11.26185       1.207864  3.121632       2.680686  
1 1 1 3  42 13 o 38.80464 1.172464  15.51701       0.9090914 14.68290       1.279274  16.36797       1.292122  -2.159477      2.344927  
1 1 1 3  42 14 o 26.36522 1.942915  7.092629       0.9580384 6.180594       1.140068  9.284460       1.767375  -4.752769      3.885830  
1 1 1 3  42 15 o 18.36476 3.075776  4.240355       1.104082  6.315310       1.822826  3.038013       1.387570  6.986366       6.151553  
1 1 1 3  43 0  o 10.27388 3.480631  1.238418       0.9933248 2.790602       1.470139  -0.6543962E-01 1.347417  0.000000       0.000000  
1 1 1 3  43 1  o 24.62726 1.505728  6.134829       0.7400327 6.728451       1.070927  5.592311       1.023792  2.291653       3.011456  
1 1 1 3  43 2  o 24.49821 1.539649  6.106021       0.7473249 7.159419       1.068792  5.098324       1.045352  4.199095       3.079298  
1 1 1 3  43 3  o 45.02792 1.023926  20.36863       0.9212148 21.22651       1.339186  19.59805       1.269217  1.792912       2.047851  
1 1 1 3  43 4  o 34.89730 1.311406  12.30361       0.8931126 12.27358       1.143909  12.35050       1.429352  -0.2616501E-01 2.622812  
1 1 1 3  43 5  f 19.24167 2.460606  3.885305       0.9186110 3.109371       1.243927  4.816025       1.362360  -4.663431      4.921213  
1 1 1 3  43 6  o 53.18590 1.103342  28.36745       1.159902  27.33426       1.516277  29.82493       1.800895  -2.251953      2.206683  
1 1 1 3  43 7  o 20.81564 1.826722  4.542746       0.7411379 5.500705       1.027012  3.501747       1.070600  4.823557       3.653444  
1 1 1 3  43 8  f 23.22810 1.659782  5.554751       0.7624079 5.523508       1.165940  5.578091       1.007701  -0.2142887     3.319563  
1 1 1 3  43 9  o 23.69686 1.679272  5.777565       0.7948359 6.204171       1.147386  5.383958       1.102116  1.701536       3.358543  
1 1 1 3  43 10 o 42.36409 1.120043  18.26823       0.9410673 17.77868       1.414510  18.65699       1.260504  -1.109112      2.240086  
1 1 1 3  43 11 o 47.21340 1.273517  22.74098       1.166965  22.11691       1.473348  23.79155       1.911625  -1.418449      2.547034  
1 1 1 3  43 12 o 24.48149 1.620432  6.328885       0.7917055 6.703231       1.111212  5.942961       1.128264  1.572865       3.240863  
1 1 1 3  43 13 o 9.553434 2.880201  0.6046543      0.9300053 0.8377005      1.094620  -0.1303947E-03 1.763366  0.1482677E-01  5.760402  
1 1 1 3  43 14 o 10.23792 2.988311  0.8587114      1.053956  -0.2160181     1.670703  1.569147       1.358351  -2.435813      5.976622  
1 1 1 3  44 0  f 50.63411 1.939895  27.72624       1.718316  29.86111       2.052246  22.71994       3.142693  0.000000       0.000000  
1 1 1 3  44 1  o 38.63753 1.276584  15.09845       0.9847529 14.00791       1.386722  16.20784       1.398656  -2.843357      2.553167  
1 1 1 3  44 2  o 8.438643 2.726928  -0.7701616     0.9263917 -0.9588535     1.102042  -0.3156627     1.710361  -2.995753      5.453857  
1 1 1 3  44 3  o 46.85863 1.081376  22.22122       1.005708  22.84348       1.352981  21.45284       1.503462  1.525364       2.162751  
1 1 1 3  44 4  o 46.55812 1.162490  21.86694       1.061097  21.69282       1.369053  22.12891       1.679246  -0.3671112     2.324980  
1 1 1 3  44 5  o 6.420023 2.114645  -0.9287081     0.6843833 -1.642719      1.033360  -0.3708176     0.9134266 -1.118245      4.229290  
1 1 1 3  44 6  o 38.38130 1.228526  14.77694       0.9379159 16.26842       1.419910  13.62244       1.249246  3.385406       2.457052  
1 1 1 3  44 7  o 20.49207 1.934371  4.298349       0.7857722 3.633287       1.044056  5.167205       1.193347  -3.633797      3.868741  
1 1 1 3  44 8  o 40.34031 1.375276  16.85890       1.054845  15.77759       1.759996  17.46507       1.317749  -2.324982      2.750553  
1 1 1 3  44 9  o 48.46724 1.072081  23.81060       1.038820  23.65501       1.486903  23.95896       1.451949  -0.3290749     2.144162  
1 1 1 3  44 10 o 7.617970 2.398618  -0.2408775     0.7390960 -0.5060037     0.9940137 0.8693720E-01  1.105300  -1.376329      4.797235  
1 1 1 3  44 11 o 13.97791 2.795981  2.434029       0.8888966 3.274815       1.147279  1.171300       1.405988  5.809678       5.591961  
1 1 1 3  44 12 o 14.96515 2.763825  2.549692       0.8675861 1.506757       1.117141  4.134640       1.377169  -7.191380      5.527649  
1 1 1 3  44 13 o 32.96145 1.743343  11.43605       1.129734  13.95693       1.812209  9.833603       1.444854  5.611467       3.486686  
1 1 1 3  44 14 o 11.42728 3.177208  1.537381       1.191670  2.965999       1.644915  -0.4059101E-01 1.728761  4.940936       6.354417  
1 1 1 3  45 0  f 64.35015 1.385411  41.83903       1.779240  42.40417       2.535896  41.29109       2.497006  0.000000       0.000000  
1 1 1 3  45 1  o 50.44389 1.127975  25.76770       1.126375  25.28362       1.710787  26.13810       1.496502  -0.9162941     2.255950  
1 1 1 3  45 2  o 23.80487 1.855911  5.855201       0.8585231 5.693633       1.376229  5.958133       1.098466  -0.7026348     3.711823  
1 1 1 3  45 3  f 15.14938 2.575876  2.380599       0.7597874 3.210640       1.238755  1.880029       0.9619839 3.993279       5.151752  
1 1 1 3  45 4  o 17.21669 2.720785  3.484899       0.8942879 2.301326       1.552354  4.072808       1.094078  -5.318395      5.441570  
1 1 1 3  45 5  o 41.24368 1.339893  17.06441       1.085906  18.65079       1.732589  16.03809       1.393585  3.005520       2.679787  
1 1 1 3  45 6  o 29.50236 1.445250  8.815774       0.8487151 9.663694       1.278721  8.148127       1.134677  2.493370       2.890501  
1 1 1 3  45 7  o 25.53480 1.578650  6.697711       0.8032785 5.957355       1.115286  7.495762       1.157928  -2.985346      3.157300  
1 1 1 3  45 8  o 45.81776 1.092199  21.28031       0.9991549 21.70919       1.461828  20.90427       1.368792  0.8336334      2.184397  
1 1 1 3  45 9  o 33.36655 1.384170  11.51532       0.9206668 11.63941       1.256871  11.37164       1.352411  0.4827232      2.768340  
1 1 1 3  45 10 o 19.19032 2.009214  3.875605       0.7602688 3.461920       0.9799775 4.500988       1.204909  -2.405432      4.018428  
1 1 1 3  45 11 o 9.856085 2.640203  0.5729578      0.8844616 1.895779       1.133329  -1.487743      1.414533  5.374327       5.280406  
1 1 1 3  45 12 o 15.30932 3.333043  3.170074       1.112894  3.217411       1.713975  3.135570       1.463319  -0.1975822     6.666086  
1 1 1 3  45 13 o 10.11321 3.085831  0.6902220      1.131728  0.4405152E-01  1.476487  1.610612       1.762147  -2.747169      6.171662  
1 1 1 3  46 0  o 35.95863 1.871760  12.86264       1.287572  15.15004       2.175473  11.62935       1.597400  0.000000       0.000000  
1 1 1 3  46 1  o 41.15406 1.258634  17.13237       1.031121  17.59639       1.542811  16.75780       1.386181  0.9571075      2.517269  
1 1 1 3  46 2  o 36.88094 1.338118  13.77362       0.9759820 14.25085       1.507142  13.42897       1.280808  1.011322       2.676237  
1 1 1 3  46 3  o 55.78539 0.9990446 31.45081       1.114637  31.40055       1.573617  31.50143       1.579066  -0.8837509E-01 1.998089  
1 1 1 3  46 4  o 53.61788 1.018776  29.07948       1.091522  30.16097       1.533570  27.96909       1.553922  2.051502       2.037551  
1 1 1 3  46 5  o 73.15050 1.056468  54.05979       1.537450  55.13922       2.305177  53.19490       2.063419  1.230438       2.112936  
1 1 1 3  46 6  o 87.18187 1.091116  77.15532       1.894425  79.06024       2.582765  74.93700       2.787133  2.449905       2.182233  
1 1 1 3  46 7  o 47.37732 1.231822  22.95019       1.155967  22.90892       1.758888  22.98157       1.533717  -0.2200623     2.463645  
1 1 1 3  46 8  o 13.62761 2.645082  2.180734       0.7513850 2.509171       1.027938  1.803905       1.101065  2.296817       5.290164  
1 1 1 3  46 9  o 13.48468 2.931959  1.996723       0.8852884 1.246516       1.139362  3.139710       1.406345  -5.172472      5.863917  
1 1 1 3  46 10 o 15.02602 2.826303  2.628908       0.8248733 2.359907       1.004980  3.184278       1.444014  -1.761017      5.652605  
1 1 1 3  46 11 o 11.01778 3.167873  1.158682       1.133827  0.3709472      1.667770  1.835657       1.546082  -2.384873      6.335745  
1 1 1 3  46 12 o 23.99460 2.637107  6.844959       1.214504  8.589672       1.805835  5.404053       1.641095  6.531643       5.274215  
1 1 1 3  47 0  o 72.96925 1.382669  53.72680       2.009051  51.98306       2.724395  55.80539       2.974506  0.000000       0.000000  
1 1 1 3  47 1  o 44.84715 1.088463  20.29406       0.9729225 19.63748       1.313925  21.09103       1.447609  -1.567688      2.176926  
1 1 1 3  47 2  o 10.96631 2.781274  1.098624       0.7796156 1.591873       1.193562  0.7315814      1.029604  2.588210       5.562548  
1 1 1 3  47 3  o 8.680281 2.497922  0.3695969      0.6921611 0.6809108      0.9759180 0.5449571E-01  0.9818363 1.403955       4.995845  
1 1 1 3  47 4  o 30.50464 1.352485  9.489440       0.8246539 9.062984       1.159122  9.926529       1.173485  -1.407988      2.704969  
1 1 1 3  47 5  o 27.62162 1.485857  7.905442       0.8089699 7.382421       1.228049  8.306395       1.075233  -1.771572      2.971714  
1 1 1 3  47 6  o 19.31919 2.288028  4.160434       0.8473930 4.950945       1.183784  3.329655       1.213560  4.530807       4.576056  
1 1 1 3  47 7  f 10.78988 2.689436  1.243181       0.7439765 0.7603874      1.104917  1.643615       1.006271  -2.298800      5.378873  
1 1 1 3  47 8  o 12.82213 2.863659  1.959066       0.8325656 2.226402       1.111888  1.617882       1.256110  1.765824       5.727319  
1 1 1 3  47 9  o 47.02702 1.373120  23.05204       1.290835  23.52868       1.811219  22.56004       1.840157  1.061096       2.746239  
1 1 1 3  47 10 o 12.57070 3.400093  1.761144       1.225663  0.7985233      1.608665  3.093273       1.892391  -4.436000      6.800187  
1 1 1 3  47 11 o 19.18448 3.736211  5.635504       1.504421  6.129461       1.807828  4.523056       2.713016  5.601883       7.472423  
1 1 1 3  47 12 o 12.90427 3.633577  2.680285       1.588256  3.765552       1.944339  0.5039114      2.753406  4.392899       7.267155  
1 1 1 3  48 0  o 70.76486 1.360000  50.62580       1.919124  49.49528       2.635796  51.90130       2.799719  0.000000       0.000000  
1 1 1 3  48 1  o 50.82767 1.000899  26.05177       1.015491  25.06141       1.384765  27.20399       1.493650  -2.064949      2.001799  
1 1 1 3  48 2  o 10.00025 2.682762  0.7599860      0.7916033 -0.7447009E-01 1.202613  1.397947       1.051529  -2.996845      5.365523  
1 1 1 3  48 3  o 31.16784 1.293938  9.930278       0.8038899 11.10466       1.163855  8.858829       1.111683  3.568159       2.587877  
1 1 1 3  48 4  o 50.62918 1.050624  26.10897       1.063527  26.86657       1.505517  25.35431       1.502595  1.491653       2.101248  
1 1 1 3  48 5  o 37.78397 1.216786  14.65393       0.9192997 14.95725       1.316863  14.36559       1.283935  0.7572517      2.433571  
1 1 1 3  48 6  o 24.41977 1.703829  6.320039       0.8276147 5.747194       1.190082  6.856537       1.151708  -2.315039      3.407659  
1 1 1 3  48 7  o 26.23739 1.972038  7.447669       1.034719  7.588258       1.468705  7.309124       1.457981  0.5161819      3.944076  
1 1 1 3  48 8  o 31.12085 1.786949  10.34691       1.105432  8.898538       1.515751  11.99252       1.615662  -4.827082      3.573898  
1 1 1 3  48 9  o 24.41631 2.870711  7.036678       1.350825  5.877371       1.729360  8.850997       2.163432  -5.280142      5.741423  
1 1 1 3  48 10 o 18.36582 3.604047  4.879767       1.332878  5.005321       1.573814  4.561266       2.506652  3.273603       7.208094  
1 1 1 3  48 11 o 18.47305 4.000763  5.922437       1.631431  6.065453       2.089648  5.699192       2.610787  2.581234       8.001527  
1 1 1 3  49 0  o 12.04178 3.470586  2.184489       1.045438  0.5633866      1.545541  3.551853       1.419441  0.000000       0.000000  
1 1 1 3  49 1  o 18.40339 2.098933  3.698717       0.7516224 3.454540       1.087623  3.921931       1.039892  -1.597607      4.197865  
1 1 1 3  49 2  o 20.15267 2.123952  4.458918       0.8210157 5.375814       1.170434  3.570723       1.151969  4.714746       4.247905  
1 1 1 3  49 3  f 26.27683 1.594885  7.235620       0.8312827 6.093132       1.151658  8.478362       1.201125  -4.485756      3.189770  
1 1 1 3  49 4  o 24.02238 1.726634  6.103023       0.8269196 5.541705       1.164302  6.674361       1.174648  -2.345587      3.453269  
1 1 1 3  49 5  o 12.42235 3.067077  1.800117       0.9393851 1.731506       1.308448  1.873099       1.349484  -0.3796673     6.134155  
1 1 1 3  49 6  f 20.45189 3.109171  5.171809       1.204087  5.125282       1.524183  5.249051       1.963864  0.7907734      6.218341  
1 1 1 3  49 7  o 12.34059 3.359865  1.043848       1.298292  -0.7474907     1.673082  3.755151       2.058341  -7.595541      6.719729  
1 1 1 3  49 8  f 17.33540 3.848442  4.674371       1.493635  4.945722       1.696395  3.738439       3.150531  4.473305       7.696884  
1 1 1 3  49 9  o 16.54926 3.394967  4.114007       1.296972  4.970918       1.583470  2.367314       2.260739  6.665017       6.789935  
1 1 1 3  49 10 o 9.119823 4.410347  0.000000       0.000000  ?              ?         -1.252485      2.461037  ?              ?         
1 1 1 3  50 0  o 39.25709 2.323260  17.42470       1.535456  18.55771       1.808369  14.49760       2.906635  0.000000       0.000000  
1 1 1 3  50 1  o 12.09776 3.071692  1.627038       0.9584647 2.025238       1.366887  1.241865       1.344341  1.914989       6.143384  
1 1 1 3  50 2  o 15.34888 3.424042  2.934233       1.144249  2.702980       1.439480  3.331169       1.885911  -1.169196      6.848084  
1 1 1 3  50 3  o 10.46318 3.047952  0.8927002      1.013378  1.157031       1.224835  0.3191574      1.804209  0.4145622      6.095903  
1 1 1 3  50 4  o 30.77387 1.990182  10.57914       1.179501  11.93629       1.553684  8.732985       1.812108  5.594534       3.980364  
1 1 1 3  50 5  o 21.88470 2.848800  6.105968       1.155021  7.413580       1.504923  4.231665       1.801751  8.157988       5.697600  
1 1 1 3  50 6  o 20.51600 3.356650  6.432635       1.505072  8.357145       1.869694  2.889827       2.536789  12.69290       6.713300  
1 1 1 3  50 7  o 18.62805 4.181135  5.572017       1.750167  5.623368       2.347062  5.507702       2.626695  0.9265575      8.362270  
1 1 1 3  50 8  o 14.98188 5.942906  0.000000       0.000000  ?              ?         3.711853       2.647916  ?              ?         
1 1 1 3  50 9  o 11.18058 5.173262  0.000000       0.000000  ?              ?         1.102429       2.738751  ?              ?         
1 1 1 3  51 0  o 33.71296 2.912232  12.55722       1.917380  10.72674       2.541961  14.97335       2.920432  0.000000       0.000000  
1 1 1 3  51 1  o 11.51596 3.319191  1.286502       1.214023  1.634090       1.681383  0.9079230      1.754740  1.164074       6.638382  
1 1 1 3  51 2  o 13.94536 3.506562  2.557066       1.228255  2.672770       1.835007  2.463154       1.653212  0.4033918      7.013124  
1 1 1 3  51 3  o 14.61903 4.191215  3.175225       1.903298  3.057618       2.947409  3.259344       2.492706  -0.3498516     8.382429  
1 1 1 3  51 4  o 30.68543 4.795231  0.000000       0.000000  ?              ?         12.24229       2.942874  ?              ?         
1 1 1 3  51 5  o 10.46264 4.651636  0.000000       0.000000  ?              ?         0.5401103      1.964568  ?              ?         
1 1 1 3  51 6  f 11.06351 5.010264  0.000000       0.000000  ?              ?         0.5855294      2.379368  ?              ?         
1 1 1 3  51 7  o 9.641315 4.535269  0.000000       0.000000  ?              ?         -0.3744041     2.272367  ?              ?         
1 1 1 3  51 8  o 13.58803 5.619524  0.000000       0.000000  ?              ?         3.289896       2.485765  ?              ?         
1 1 1 3  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  52 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  52 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  52 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  52 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  52 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  53 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  53 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  53 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  53 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3  53 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  0  0  o 318.7625 5.409299  1018.558       34.44142  1016.970       48.62825  1020.157       48.78717  0.000000       0.000000  
1 1 1 4  0  1  o 230.5975 2.764447  531.8285       12.73052  519.2150       17.57310  545.7588       18.46755  0.000000       0.000000  
1 1 1 4  0  2  o 190.8763 3.249448  365.1463       12.38877  364.1486       17.47490  366.1544       17.56620  0.000000       0.000000  
1 1 1 4  0  3  o 28.16087 0.7444137 7.635379       0.3342773 8.516594       0.7662988 7.428283       0.3714859 0.000000       0.000000  
1 1 1 4  0  4  o 14.54244 1.031190  2.160405       0.2910272 2.290367       0.4521566 2.068485       0.3802656 0.000000       0.000000  
1 1 1 4  0  5  o 95.53593 1.671805  91.36719       3.192164  91.36719       3.192164  91.36719       3.192164  0.000000       0.000000  
1 1 1 4  0  6  o 194.5785 2.347159  379.0821       9.128149  379.4930       12.93181  378.6740       12.88661  0.000000       0.000000  
1 1 1 4  0  7  o 40.48106 0.8510602 16.34411       0.6773604 16.92322       1.061461  15.94628       0.8797795 0.000000       0.000000  
1 1 1 4  0  8  o 366.6708 4.407051  1346.648       32.29644  1355.371       45.93729  1338.122       45.41532  0.000000       0.000000  
1 1 1 4  0  9  o 77.69403 1.389724  61.04383       2.002510  58.97063       3.536649  62.02216       2.429475  0.000000       0.000000  
1 1 1 4  0  10 o 88.15771 1.433349  78.81697       2.487548  85.17407       3.337031  70.86668       3.731831  0.000000       0.000000  
1 1 1 4  0  11 o 231.2353 3.412297  543.2162       15.17128  509.4976       24.69909  563.6464       19.22568  0.000000       0.000000  
1 1 1 4  0  12 o 8.623465 3.340900  1.034623       0.7648916 0.8788645      1.496073  1.089746       0.8900065 0.000000       0.000000  
1 1 1 4  0  13 o 32.25581 1.871487  10.74319       1.173907  8.945624       1.681134  12.45374       1.639942  0.000000       0.000000  
1 1 1 4  0  14 o 191.5688 2.898613  367.9676       10.47038  366.7260       12.83015  370.4432       18.11656  0.000000       0.000000  
1 1 1 4  0  15 o 219.0988 3.341252  476.8365       13.48925  499.1782       24.60369  467.2345       16.12955  0.000000       0.000000  
1 1 1 4  0  16 o 212.7312 2.637734  454.3503       11.20997  441.2897       15.57882  468.3735       16.14281  0.000000       0.000000  
1 1 1 4  0  17 o 10.74322 3.753133  1.761063       1.104893  -0.3319256     2.327658  2.369825       1.255335  0.000000       0.000000  
1 1 1 4  0  18 o 8.355809 3.521756  0.7630874      1.056155  -1.026675      2.213700  1.290541       1.201748  0.000000       0.000000  
1 1 1 4  0  19 o 46.96549 1.779790  22.06837       1.378600  23.05479       2.949091  21.79253       1.559483  0.000000       0.000000  
1 1 1 4  0  20 o 51.85647 1.978301  27.88088       1.960854  25.72916       3.170499  29.21374       2.495329  0.000000       0.000000  
1 1 1 4  0  21 o 17.86703 2.279684  3.267997       0.8193607 3.267997       0.8193607 3.267997       0.8193607 0.000000       0.000000  
1 1 1 4  0  22 o 9.414966 3.836142  1.188801       0.7817460 -0.6333861     3.520943  1.283285       0.8017575 0.000000       0.000000  
1 1 1 4  0  23 o 34.91420 1.763866  12.46508       1.225004  12.46508       1.225004  12.46508       1.225004  0.000000       0.000000  
1 1 1 4  0  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  1  0  o 80.67049 0.9870622 64.82059       1.585542  68.69281       2.369083  61.67901       2.133901  0.000000       0.000000  
1 1 1 4  1  1  o 104.7334 0.8966324 109.6993       1.878146  109.7241       2.658028  109.6746       2.654176  0.2363586E-01  1.793265  
1 1 1 4  1  2  o 242.2492 2.646648  588.8194       12.61928  596.4175       16.50189  578.1180       19.58401  3.803925       5.293296  
1 1 1 4  1  3  o 73.22925 0.7001593 53.76122       1.017418  54.75555       1.363429  52.51180       1.528343  1.532402       1.400319  
1 1 1 4  1  4  o 316.7361 2.784454  996.0700       16.89579  1032.645       28.54401  976.3438       20.96261  8.785309       5.568907  
1 1 1 4  1  5  o 199.4565 2.193275  396.4858       8.520432  405.6370       13.78188  390.8242       10.84033  3.669815       4.386551  
1 1 1 4  1  6  o 134.9865 1.163823  182.2114       3.141516  184.2023       4.490883  180.3036       4.396180  1.443588       2.327645  
1 1 1 4  1  7  o 298.0674 2.529902  888.6023       15.07605  904.4073       21.68071  873.8050       20.97814  5.126862       5.059804  
1 1 1 4  1  8  o 69.59755 0.9377318 48.84981       1.281476  46.15057       1.982092  50.78842       1.679763  -3.332741      1.875464  
1 1 1 4  1  9  o 184.7606 1.833870  341.3466       6.774076  336.1492       9.428496  346.8921       9.739031  -2.904892      3.667739  
1 1 1 4  1  10 f 80.87748 1.073499  66.04166       1.719010  59.63935       2.536772  71.47776       2.337528  -7.320038      2.146998  
1 1 1 4  1  11 o 158.3792 1.596239  250.9608       5.055087  253.2939       7.238944  248.7403       7.062275  1.434860       3.192478  
1 1 1 4  1  12 o 161.9811 1.532726  262.8416       4.921774  264.2989       6.550510  260.9524       7.458416  1.052429       3.065452  
1 1 1 4  1  13 o 99.72989 0.9645687 99.50590       1.923889  98.80132       2.711029  100.2207       2.730658  -0.7112503     1.929137  
1 1 1 4  1  14 o 14.86988 2.427389  2.155736       0.6952662 3.084943       1.153309  1.625252       0.8714156 4.704836       4.854778  
1 1 1 4  1  15 o 136.5278 1.608782  185.7905       4.276446  191.2864       6.933390  182.4159       5.432978  3.173721       3.217564  
1 1 1 4  1  16 o 26.83549 1.514989  7.220570       0.8126765 7.204737       1.167826  7.235436       1.131625  -0.5938721E-01 3.029978  
1 1 1 4  1  17 o 59.86311 0.9551694 35.89884       1.143542  35.53918       1.617568  36.25817       1.616858  -0.6005745     1.910339  
1 1 1 4  1  18 o 88.81264 1.011133  79.11716       1.796025  78.90998       2.537684  79.32509       2.542248  -0.2332077     2.022267  
1 1 1 4  1  19 o 26.60575 1.359330  6.880352       0.6995637 8.177861       1.182916  6.182487       0.8675293 3.673332       2.718660  
1 1 1 4  1  20 o 34.31715 1.465157  12.44450       0.8999773 10.73686       1.638212  13.18265       1.077066  -3.734707      2.930314  
1 1 1 4  1  21 o 29.75286 1.317116  8.800966       0.7265589 9.447939       1.319711  8.519582       0.8703325 1.392563       2.634231  
1 1 1 4  1  22 o 67.04498 0.8768286 45.31344       1.175598  46.00143       1.678433  44.65089       1.647102  0.9966888      1.753657  
1 1 1 4  1  23 o 21.30350 1.691546  4.784003       0.7185594 5.299338       1.036204  4.306633       0.9973048 2.284752       3.383092  
1 1 1 4  1  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  2  0  o 38.13306 0.6929705 14.69485       0.5007628 14.17057       0.8474573 14.97612       0.6207204 0.000000       0.000000  
1 1 1 4  2  1  f 184.0255 2.210617  337.0687       8.103674  357.5902       12.13239  320.5384       10.88885  10.05783       4.421235  
1 1 1 4  2  2  o 129.8738 1.200954  168.0842       3.071171  165.3075       3.990798  172.1169       4.809445  -2.618301      2.401907  
1 1 1 4  2  3  o 22.68818 0.4725268 5.201574       0.2069749 4.934620       0.3357633 5.365181       0.2628557 -0.9489861     0.9450536 
1 1 1 4  2  4  o 171.4220 1.461743  293.7715       5.009230  299.4672       7.216577  288.4756       6.958701  3.204071       2.923486  
1 1 1 4  2  5  o 39.03087 0.9410775 15.23537       0.7346216 15.23537       0.7346216 ?              ?         ?              ?         
1 1 1 4  2  6  o 257.0212 2.249129  663.8295       11.27191  648.3512       17.96605  673.8774       14.47536  -5.003235      4.498259  
1 1 1 4  2  7  o 337.1973 2.957743  1134.354       19.22284  1151.836       31.86917  1124.357       24.10069  3.990997       5.915485  
1 1 1 4  2  8  o 339.5043 3.114098  1152.346       20.89425  1161.526       32.17870  1145.654       27.47379  2.293793       6.228196  
1 1 1 4  2  9  o 205.0314 2.142065  424.9214       8.425157  404.9871       13.89130  436.5212       10.59663  -7.719238      4.284129  
1 1 1 4  2  10 f 107.3585 1.151511  115.2293       2.471399  117.0841       3.558598  113.5012       3.434858  1.667778       2.303023  
1 1 1 4  2  11 o 143.7293 1.461738  206.5908       4.200618  202.2393       5.853148  211.2123       6.032033  -3.118958      2.923476  
1 1 1 4  2  12 o 264.2354 2.263214  699.5582       11.95941  704.8248       17.04659  694.4533       16.78283  1.954163       4.526428  
1 1 1 4  2  13 o 62.90113 0.9427010 38.83515       1.174351  34.05151       1.537523  45.53357       1.819401  -9.122028      1.885402  
1 1 1 4  2  14 f 34.72503 1.119679  11.81667       0.7624797 13.32118       1.230430  10.87875       0.9714971 3.509537       2.239357  
1 1 1 4  2  15 o 213.1599 2.393211  456.4022       9.989890  458.0482       15.83636  455.3143       12.87474  0.4201202      4.786423  
1 1 1 4  2  16 o 95.89187 1.128336  92.08298       2.163897  93.12200       3.069008  91.05576       3.051493  1.076584       2.256672  
1 1 1 4  2  17 o 43.83113 0.9740335 19.42421       0.8253355 18.53149       1.336406  19.97463       1.049365  -1.664890      1.948067  
1 1 1 4  2  18 o 41.36961 1.017494  17.28454       0.8030161 16.77094       1.346629  17.56795       1.000331  -0.9999275     2.034988  
1 1 1 4  2  19 o 44.91611 1.015248  20.36338       0.8968361 19.80693       1.391373  20.75889       1.173030  -1.099346      2.030495  
1 1 1 4  2  20 o 21.19796 2.001298  4.094976       0.7535515 5.776641       1.549184  3.573771       0.8624574 4.893230       4.002595  
1 1 1 4  2  21 o 18.97768 1.978905  4.021544       0.6712252 2.958440       1.094277  4.662830       0.8498940 -4.889658      3.957809  
1 1 1 4  2  22 o 31.43692 1.380121  10.09626       0.8052599 10.06103       1.432631  10.11253       0.9736184 -0.3204727     2.760242  
1 1 1 4  2  23 o 36.40211 1.100062  13.44598       0.7926372 14.38308       1.226981  12.77481       1.038391  2.064980       2.200124  
1 1 1 4  2  24 o 59.54530 1.832976  0.000000       0.000000  ?              ?         37.14951       2.182902  ?              ?         
1 1 1 4  3  0  o 266.1509 3.195954  709.0967       16.99695  699.9186       23.72139  718.7807       24.36621  0.000000       0.000000  
1 1 1 4  3  1  o 283.2555 2.401546  802.7120       13.60429  808.3340       19.36232  797.2306       19.11872  1.958008       4.803093  
1 1 1 4  3  2  o 618.9302 5.246290  3839.895       64.93170  3882.393       92.81891  3799.166       90.86678  6.689453       10.49258  
1 1 1 4  3  3  o 194.3052 1.651635  377.6449       6.418338  378.9233       9.105519  376.3825       9.048552  0.6534729      3.303269  
1 1 1 4  3  4  o 380.3635 3.225097  1448.600       24.52796  1469.870       35.17056  1428.459       34.22434  5.426971       6.450195  
1 1 1 4  3  5  o 270.6068 2.972471  731.6265       15.71198  742.0485       25.15971  724.9636       20.11693  3.059021       5.944942  
1 1 1 4  3  6  o 152.8594 1.359174  232.9962       4.005393  236.4105       6.635808  231.0393       5.023789  1.746765       2.718348  
1 1 1 4  3  7  f 298.3298 2.731322  892.7155       16.19473  871.4471       24.13976  910.1221       21.83839  -6.504425      5.462643  
1 1 1 4  3  8  o 135.1983 1.270066  183.2325       3.426268  172.2070       4.905787  193.7320       4.787334  -7.960999      2.540133  
1 1 1 4  3  9  o 257.9211 2.373365  665.6608       12.11845  665.8492       18.50467  665.5193       16.03548  0.3906250E-01  4.746731  
1 1 1 4  3  10 o 146.4017 1.562463  215.4190       4.353528  211.1933       7.359981  217.6933       5.399423  -2.239639      3.124926  
1 1 1 4  3  11 o 133.0652 1.443963  175.0978       3.564948  182.6780       6.433908  171.7396       4.282433  4.080139       2.887926  
1 1 1 4  3  12 o 114.3217 1.076667  131.1504       2.399957  128.9602       3.832710  132.5631       3.078129  -1.587242      2.153335  
1 1 1 4  3  13 o 125.2085 1.351950  153.4746       2.972570  164.1494       5.916106  149.8695       3.438071  5.639862       2.703901  
1 1 1 4  3  14 o 84.29417 1.018226  72.00819       1.586027  68.72908       2.819945  73.52541       1.918171  -2.867477      2.036452  
1 1 1 4  3  15 o 87.95336 1.134995  76.99546       1.898659  78.89989       3.249698  76.00844       2.339492  1.611374       2.269991  
1 1 1 4  3  16 o 180.9366 1.649744  327.2406       5.760257  332.8698       9.524611  323.9945       7.232911  2.298508       3.299487  
1 1 1 4  3  17 o 140.8565 1.328476  198.9399       3.628922  199.6857       5.908298  198.4881       4.598554  0.3063965      2.656952  
1 1 1 4  3  18 o 87.51042 0.9674011 77.01968       1.659276  75.64535       2.609313  77.95273       2.149970  -1.365044      1.934802  
1 1 1 4  3  19 o 77.46619 1.161122  60.89717       1.734451  58.59932       2.831170  62.27771       2.194474  -2.507042      2.322243  
1 1 1 4  3  20 o 101.2058 1.431795  103.9523       2.880964  101.6308       4.286881  105.8643       3.890497  -2.216652      2.863590  
1 1 1 4  3  21 o 49.28182 1.080378  24.21797       0.9977872 25.38928       1.767467  23.67007       1.208834  1.570225       2.160756  
1 1 1 4  3  22 o 44.59268 1.109417  20.04664       0.9457966 20.52603       1.598857  19.78860       1.173050  0.6443100      2.218835  
1 1 1 4  3  23 o 8.103103 2.633586  -0.4095919     0.7774333 0.8115249E-01  1.732305  -0.5333598     0.8699629 3.525647       5.267172  
1 1 1 4  3  24 o 22.14729 1.710286  5.253307       0.7361412 5.059600       0.9311317 5.576192       1.202160  -0.7014923     3.420572  
1 1 1 4  4  0  f 172.9400 2.084976  299.0743       7.200449  292.0251       9.934540  306.8756       10.45103  0.000000       0.000000  
1 1 1 4  4  1  o 158.4339 1.350688  251.0291       4.279542  253.0519       6.099800  249.0682       6.005672  1.256805       2.701376  
1 1 1 4  4  2  o 84.76059 0.7132291 71.89119       1.202354  72.27307       1.619578  71.42229       1.794635  0.5022888      1.426458  
1 1 1 4  4  3  f 616.6750 6.041654  3818.049       74.51241  3800.624       104.8802  3835.809       105.8798  -2.829224      12.08331  
1 1 1 4  4  4  o 254.5375 2.161495  648.2617       11.00170  655.7476       15.73761  641.1069       15.38586  2.871384       4.322990  
1 1 1 4  4  5  o 203.5538 1.876250  413.3843       7.530925  421.7573       11.72566  407.5055       9.825252  3.478424       3.752501  
1 1 1 4  4  6  o 319.2597 2.798368  1021.664       17.34908  1014.498       28.07842  1026.088       22.06496  -1.890442      5.596735  
1 1 1 4  4  7  o 140.7888 1.417620  198.1969       3.990622  195.9517       5.567420  200.5695       5.722979  -1.639206      2.835240  
1 1 1 4  4  8  o 222.8438 1.963559  497.4940       8.496681  493.6867       13.75165  499.8449       10.80613  -1.399521      3.927119  
1 1 1 4  4  9  o 220.5286 2.040966  486.8351       8.919293  484.6573       13.54757  488.5013       11.84979  -0.8865356     4.081932  
1 1 1 4  4  10 o 167.7914 1.716327  283.4034       5.254714  277.5286       9.618277  285.9030       6.273741  -2.533981      3.432653  
1 1 1 4  4  11 o 195.4532 2.053153  385.0122       7.644319  374.0597       12.86689  390.9869       9.503303  -4.398758      4.106305  
1 1 1 4  4  12 o 170.8767 1.533203  292.7714       5.091443  290.1251       8.219584  294.4190       6.485474  -1.294479      3.066406  
1 1 1 4  4  13 o 76.39670 0.8833424 58.05970       1.337460  60.75356       2.052767  56.07262       1.763031  3.058609       1.766685  
1 1 1 4  4  14 o 61.33194 0.9227756 37.74524       1.036478  37.37365       1.890451  37.90495       1.239359  -0.4479103     1.845551  
1 1 1 4  4  15 o 73.98984 1.088723  51.88935       1.506394  63.00876       2.760307  47.17307       1.797696  10.66767       2.177447  
1 1 1 4  4  16 o 37.35730 1.289554  14.27292       0.8144857 13.44053       1.661153  14.53637       0.9345297 -1.504383      2.579107  
1 1 1 4  4  17 o 53.07535 0.9354187 28.32171       0.9595206 27.81707       1.567107  28.62436       1.213608  -0.7837448     1.870837  
1 1 1 4  4  18 o 68.37125 0.8907444 46.60946       1.184603  47.91285       1.924842  45.81482       1.502936  1.494576       1.781489  
1 1 1 4  4  19 f 32.31752 1.204107  10.48334       0.7738687 10.88013       1.166657  10.17158       1.034122  1.066971       2.408214  
1 1 1 4  4  20 o 56.15273 1.175976  31.53344       1.298569  30.37700       1.675783  33.27152       2.054435  -2.478024      2.351951  
1 1 1 4  4  21 o 56.97906 1.061979  32.79601       1.150420  32.71000       1.956020  32.84149       1.422455  -0.2827339     2.123957  
1 1 1 4  4  22 o 17.04251 1.707046  3.024443       0.5766499 3.373047       0.8007250 2.648854       0.8311372 2.145430       3.414092  
1 1 1 4  4  23 o 19.32983 1.786372  3.980308       0.6905015 3.992220       0.9855654 3.968823       0.9677126 0.3743744E-01  3.572745  
1 1 1 4  4  24 o 26.09992 1.632861  7.283527       0.8495417 6.578297       1.154274  8.117063       1.254890  -2.782906      3.265723  
1 1 1 4  5  0  o 175.8269 2.122083  309.4861       7.457523  309.2830       10.54040  309.6898       10.55267  0.000000       0.000000  
1 1 1 4  5  1  o 385.3528 3.264778  1486.453       25.16175  1489.480       35.63789  1483.444       35.53054  0.7820129      6.529556  
1 1 1 4  5  2  o 209.2959 1.921824  438.6691       7.976686  441.8383       10.63350  434.5909       12.06266  1.740936       3.843648  
1 1 1 4  5  3  o 254.7000 2.635343  654.8774       12.83605  669.0485       16.05694  629.7874       21.36534  7.766983       5.270686  
1 1 1 4  5  4  o 184.5395 1.577266  340.6743       5.820941  338.2722       8.173561  343.1465       8.291823  -1.319427      3.154531  
1 1 1 4  5  5  o 290.1062 2.465447  842.3884       14.30376  836.2461       20.08096  848.7146       20.37948  -2.144623      4.930894  
1 1 1 4  5  6  o 256.8997 2.363553  658.8116       11.98138  670.1768       18.59702  650.7468       15.66596  3.751755       4.727105  
1 1 1 4  5  7  o 233.4746 2.152472  545.0219       9.940214  547.4813       15.24664  543.2037       13.10938  0.9009094      4.304944  
1 1 1 4  5  8  o 366.6402 3.359415  1347.497       24.43322  1330.652       36.86774  1360.690       32.62714  -4.142029      6.718831  
1 1 1 4  5  9  o 333.9056 3.463119  1124.715       22.05713  1089.244       36.98656  1144.293       27.47796  -8.387085      6.926237  
1 1 1 4  5  10 o 165.7399 1.479773  276.9427       4.814202  263.1037       7.466105  286.7916       6.298468  -7.158569      2.959546  
1 1 1 4  5  11 o 140.2110 1.464726  196.6549       3.726406  196.8595       6.924583  196.5715       4.421175  0.6535339E-01  2.929453  
1 1 1 4  5  12 o 126.3293 1.170346  159.7783       2.871341  159.2755       4.650754  160.0880       3.650063  -0.3386154     2.340692  
1 1 1 4  5  13 o 103.6707 1.059525  107.7775       2.187029  104.8610       3.224976  110.2608       2.975873  -2.609550      2.119051  
1 1 1 4  5  14 o 56.06338 0.9323997 32.21793       0.9712024 29.32224       1.687199  33.65290       1.187710  -3.873745      1.864799  
1 1 1 4  5  15 o 77.83617 1.129272  60.18661       1.710435  62.65188       2.784222  58.69222       2.167719  2.521072       2.258545  
1 1 1 4  5  16 o 185.0698 1.752214  343.2076       6.400970  347.5399       9.911614  340.1080       8.383693  1.890762       3.504428  
1 1 1 4  5  17 o 184.8958 1.682605  345.0568       6.068484  338.5546       9.670843  349.2801       7.793954  -3.133469      3.365210  
1 1 1 4  5  18 f 49.50598 0.9210336 24.70433       0.8877817 23.97684       1.418068  25.17325       1.138499  -1.235764      1.842067  
1 1 1 4  5  19 o 92.58813 1.012216  86.59865       1.841159  83.86671       2.862963  88.52532       2.404275  -2.600441      2.024431  
1 1 1 4  5  20 o 68.47726 1.141527  47.59012       1.543442  49.44657       2.050708  45.16444       2.344109  3.202103       2.283054  
1 1 1 4  5  21 o 28.07807 1.174389  7.981580       0.6593458 7.830837       0.9355412 8.130351       0.9294008 -0.5356140     2.348778  
1 1 1 4  5  22 o 18.48045 1.739912  3.533586       0.6419814 3.257498       0.8889596 3.834524       0.9281026 -1.532082      3.479825  
1 1 1 4  5  23 o 28.19164 1.331590  8.289386       0.7427825 6.919091       1.046964  9.678100       1.053977  -4.886414      2.663179  
1 1 1 4  5  24 o 8.424498 2.563518  0.3125985      0.7812240 0.2451908      1.086730  0.3846886      1.123840  -0.3533001     5.127037  
1 1 1 4  6  0  o 23.05328 1.040811  5.351625       0.4745738 4.981239       0.6434943 5.793310       0.7027052 0.000000       0.000000  
1 1 1 4  6  1  o 135.5214 1.165754  183.6836       3.159677  184.0367       4.477016  183.3332       4.459948  0.2594910      2.331508  
1 1 1 4  6  2  o 146.8233 1.545954  214.4899       4.251213  212.4231       5.160825  218.8528       7.498284  -2.176178      3.091908  
1 1 1 4  6  3  o 331.9955 2.906734  1105.107       18.72866  1110.103       23.79860  1096.978       30.35452  2.071594       5.813467  
1 1 1 4  6  4  o 437.7413 4.294477  1922.954       37.59680  1915.315       52.98755  1930.700       53.35415  -1.746582      8.588955  
1 1 1 4  6  5  o 122.1573 1.103291  148.9508       2.602489  148.1044       3.273712  150.4042       4.289904  -0.9352722     2.206582  
1 1 1 4  6  6  o 130.2931 1.407622  168.1480       3.410396  174.2728       6.120478  165.3901       4.107074  3.397202       2.815244  
1 1 1 4  6  7  o 384.9729 4.212037  1491.615       32.06572  1432.675       48.62199  1536.981       42.65685  -13.62573      8.424073  
1 1 1 4  6  8  o 454.2367 3.986626  2060.390       34.92185  2089.237       57.79912  2043.805       43.82555  4.813507       7.973252  
1 1 1 4  6  9  o 90.26010 1.131745  81.80363       2.032292  77.78068       2.987278  85.26983       2.772872  -4.149750      2.263489  
1 1 1 4  6  10 o 140.2050 1.279179  197.0370       3.488718  194.9423       5.616006  198.3534       4.451916  -1.227798      2.558357  
1 1 1 4  6  11 o 184.8636 1.954883  344.9025       6.905735  332.6584       11.52231  351.7660       8.626804  -5.228729      3.909765  
1 1 1 4  6  12 o 185.8115 1.894456  349.2697       6.472631  336.8453       11.64129  354.8294       7.787298  -4.945557      3.788912  
1 1 1 4  6  13 o 46.85824 0.8658088 21.92543       0.8055262 22.30135       1.219339  21.63432       1.073011  0.7091446      1.731618  
1 1 1 4  6  14 o 20.74379 1.658260  4.312461       0.6877360 4.348885       0.9625019 4.274467       0.9830341 0.1802425      3.316519  
1 1 1 4  6  15 o 80.07849 1.017305  64.09782       1.626800  62.66400       2.229893  65.72923       2.378584  -1.908913      2.034610  
1 1 1 4  6  16 o 117.6434 1.190414  138.1671       2.754378  141.3073       4.328231  136.0298       3.570716  2.201546       2.380829  
1 1 1 4  6  17 o 27.02092 1.349360  7.696087       0.6826233 6.157502       1.120246  8.604783       0.8609192 -4.555132      2.698720  
1 1 1 4  6  18 o 103.7094 1.057997  108.2351       2.147822  106.4265       3.391363  109.4463       2.775363  -1.527237      2.115994  
1 1 1 4  6  19 o 36.60439 0.9691753 13.45634       0.7080449 13.57891       1.037390  13.34945       0.9687809 0.3012810      1.938351  
1 1 1 4  6  20 o 36.16228 1.180778  13.05197       0.8479805 14.40520       1.296574  12.04050       1.120955  3.221680       2.361557  
1 1 1 4  6  21 o 39.45485 0.9682868 15.69843       0.7633867 16.63410       1.091045  14.80105       1.068491  2.315704       1.936574  
1 1 1 4  6  22 o 11.64204 2.390737  1.477205       0.6077571 1.018934       0.8524841 1.950876       0.8666886 -3.222868      4.781474  
1 1 1 4  6  23 o 14.60507 2.285983  2.455356       0.6516768 2.739656       0.9166650 2.164836       0.9266364 1.950681       4.571966  
1 1 1 4  6  24 o 13.38998 2.648581  2.244825       0.7655907 2.855466       1.059667  1.578027       1.107322  4.007612       5.297162  
1 1 1 4  7  0  o 204.4117 2.467517  418.2852       10.08028  421.8447       14.37446  414.8411       14.13977  0.000000       0.000000  
1 1 1 4  7  1  o 240.8511 2.050663  579.7760       9.870934  594.8007       14.29333  566.0768       13.64822  5.958069       4.101325  
1 1 1 4  7  2  o 107.5997 1.157031  115.3493       2.337614  114.5101       2.846117  117.0890       4.097867  -1.192154      2.314062  
1 1 1 4  7  3  o 75.33119 0.7608240 56.94961       1.141459  59.43973       1.566299  54.12925       1.666929  3.525208       1.521648  
1 1 1 4  7  4  o 140.1053 1.311619  196.3411       3.636153  196.2405       4.803945  196.4762       5.563957  -0.7749939E-01 2.623238  
1 1 1 4  7  5  o 364.0376 3.339824  1324.262       23.99101  1308.895       31.37444  1345.899       37.22857  -4.984650      6.679649  
1 1 1 4  7  6  o 685.0637 6.304918  4677.413       84.63679  4539.015       108.5380  4892.134       135.1935  -25.11407      12.60984  
1 1 1 4  7  7  o 316.6587 3.294847  1007.128       19.76086  1014.591       24.35962  992.7658       33.79372  3.537994       6.589694  
1 1 1 4  7  8  o 469.4351 3.788798  2198.807       35.17632  2260.209       54.25923  2154.290       46.20050  11.17130       7.577596  
1 1 1 4  7  9  f 287.5227 2.991106  832.8442       16.38294  810.5386       27.58644  844.9974       20.36271  -6.093018      5.982212  
1 1 1 4  7  10 o 239.5339 2.212480  575.7371       10.53043  562.0718       15.71559  586.8720       14.18613  -5.204010      4.424959  
1 1 1 4  7  11 o 185.9765 1.737854  347.0094       6.425629  338.4285       9.559587  354.0815       8.678584  -4.225830      3.475708  
1 1 1 4  7  12 o 56.66762 0.9221644 32.64663       0.9577938 30.80458       1.722621  33.47091       1.152336  -2.360447      1.844329  
1 1 1 4  7  13 o 53.78867 0.8189321 29.34781       0.8656163 26.36942       1.312815  31.63862       1.151349  -4.900913      1.637864  
1 1 1 4  7  14 o 97.77898 1.054726  95.52107       2.047232  97.00758       3.100806  94.37241       2.725764  1.337250       2.109452  
1 1 1 4  7  15 o 165.3402 1.698096  274.0417       5.612901  271.6335       7.810659  276.6134       8.071445  -1.491180      3.396192  
1 1 1 4  7  16 o 96.49108 0.9534550 92.50601       1.830689  86.45752       2.443583  100.2440       2.763873  -7.128876      1.906910  
1 1 1 4  7  17 o 47.89273 0.8169419 22.97746       0.7822797 23.13284       1.095216  22.81562       1.117750  0.3327446      1.633884  
1 1 1 4  7  18 f 107.6921 1.123161  116.4852       2.388035  116.6591       3.137567  116.2456       3.681702  0.2621536      2.246322  
1 1 1 4  7  19 o 61.57536 0.8732091 38.10360       1.074033  36.06266       1.523096  40.12226       1.514763  -3.297779      1.746418  
1 1 1 4  7  20 o 36.17090 1.043514  13.25393       0.7435110 13.64898       0.9791319 12.71590       1.142678  1.329941       2.087029  
1 1 1 4  7  21 o 10.17499 2.193299  0.9866555      0.5598207 1.813561       0.7800707 0.1085062      0.8038779 5.485448       4.386597  
1 1 1 4  7  22 o 35.92885 1.075657  13.11742       0.7724822 13.76704       1.108194  12.50344       1.077367  1.741295       2.151313  
1 1 1 4  7  23 o 24.77576 1.629005  6.456260       0.7981825 6.228462       1.046257  6.773440       1.234575  -0.8610306     3.258010  
1 1 1 4  7  24 o 13.46558 2.765431  2.375552       0.9400894 3.619366       1.216071  0.5282738      1.481997  7.666414       5.530862  
1 1 1 4  8  0  o 50.53767 0.9666368 25.28206       0.9173341 24.69210       1.114756  26.51955       1.614502  0.000000       0.000000  
1 1 1 4  8  1  o 350.6200 3.643969  1231.498       24.09513  1231.752       29.51897  1230.991       41.70972  0.3006897      7.287938  
1 1 1 4  8  2  o 165.8533 1.425106  275.1102       4.726511  272.4833       6.618169  277.8448       6.752446  -1.615295      2.850212  
1 1 1 4  8  3  o 100.6479 1.404607  102.1451       2.299374  99.95311       5.001314  102.7326       2.589250  -1.402542      2.809214  
1 1 1 4  8  4  o 335.1586 3.079125  1126.552       20.46996  1113.828       30.90881  1136.494       27.32003  -3.447876      6.158251  
1 1 1 4  8  5  o 204.5643 1.889344  419.1015       7.662867  422.0854       10.20724  415.2479       11.59967  1.683304       3.778688  
1 1 1 4  8  6  o 387.2797 3.554121  1497.590       27.14269  1476.997       35.41993  1526.886       42.24746  -6.351563      7.108242  
1 1 1 4  8  7  o 343.2543 3.467882  1170.267       21.25422  1159.292       24.90136  1199.719       40.79249  -5.730560      6.935764  
1 1 1 4  8  8  o 381.6470 3.498912  1461.910       26.54045  1491.238       35.79917  1426.119       39.54794  8.582092       6.997824  
1 1 1 4  8  9  o 452.3548 4.150722  2054.323       37.24507  2075.660       49.74158  2027.094       56.19111  5.503601       8.301443  
1 1 1 4  8  10 o 208.5088 1.943657  431.5377       7.938438  452.6230       12.70363  418.0289       10.16825  8.253967       3.887314  
1 1 1 4  8  11 o 92.42446 0.9714957 84.91055       1.766643  82.56914       2.286142  88.38142       2.783446  -3.138489      1.942991  
1 1 1 4  8  12 o 24.60813 1.459634  5.826393       0.6976838 7.049275       1.168129  5.148244       0.8698830 3.855627       2.919269  
1 1 1 4  8  13 f 125.9925 1.136641  158.8639       2.864014  157.6891       4.025101  160.0686       4.076035  -0.9429245     2.273282  
1 1 1 4  8  14 o 213.7559 1.848579  457.9430       7.900844  452.0130       11.02356  464.2068       11.32969  -2.837219      3.697159  
1 1 1 4  8  15 o 114.9773 1.299574  132.5018       2.836026  132.6985       3.498786  132.1250       4.842644  0.3077621      2.599149  
1 1 1 4  8  16 o 116.5327 1.168312  136.4483       2.713796  130.5370       3.949901  141.7334       3.734892  -4.817314      2.336623  
1 1 1 4  8  17 o 20.00390 1.420384  4.054249       0.5633395 4.557316       0.7849889 3.520049       0.8089142 2.595703       2.840768  
1 1 1 4  8  18 o 72.25603 0.9146963 52.60115       1.303754  53.91758       1.720160  50.82409       1.998579  2.171501       1.829393  
1 1 1 4  8  19 o 20.35823 1.370968  4.161488       0.5543318 4.908182       0.8160635 3.521781       0.7553402 3.389210       2.741936  
1 1 1 4  8  20 o 39.23630 0.9758711 15.52799       0.7543721 15.68359       0.9882441 15.31072       1.167777  0.5180016      1.951742  
1 1 1 4  8  21 o 14.70459 2.053130  2.327899       0.5895618 1.388677       0.8138841 3.364850       0.8551804 -6.742477      4.106259  
1 1 1 4  8  22 o 23.67694 1.445434  5.770455       0.6826346 5.222710       0.9363660 6.391799       0.9972940 -2.419203      2.890869  
1 1 1 4  8  23 o 28.97693 1.597969  8.915443       0.8636805 9.008862       1.053459  8.723911       1.508415  1.046621       3.195937  
1 1 1 4  8  24 o 18.58071 2.770284  4.498293       0.9876418 5.221829       1.259482  3.342931       1.591552  5.998291       5.540568  
1 1 1 4  9  0  f 88.29889 1.399763  78.72065       2.350759  76.02352       3.952799  80.19656       2.924039  0.000000       0.000000  
1 1 1 4  9  1  o 164.8123 1.529288  272.3464       5.008712  265.9857       7.472036  277.5367       6.749693  -3.510406      3.058576  
1 1 1 4  9  2  o 106.2355 1.022448  112.4845       2.140673  115.1700       3.342127  110.6163       2.787524  2.139549       2.044895  
1 1 1 4  9  3  o 207.3036 1.916239  429.1763       7.841634  435.3871       12.14648  424.7378       10.26815  2.544601       3.832479  
1 1 1 4  9  4  o 317.1046 2.695447  1006.657       17.09470  1005.281       24.13440  1008.044       24.21692  -0.4344177     5.390894  
1 1 1 4  9  5  o 241.9806 2.229057  586.3043       10.68944  588.9659       14.20817  582.8329       16.22638  1.286331       4.458114  
1 1 1 4  9  6  o 587.1183 6.121071  3449.512       67.46086  3430.656       82.16604  3488.514       118.1692  -4.188232      12.24214  
1 1 1 4  9  7  o 235.3123 2.392763  549.5319       10.05445  544.1846       11.77920  563.8870       19.29954  -4.133148      4.785526  
1 1 1 4  9  8  o 160.2840 1.800842  258.3383       5.697827  265.9144       7.539818  248.2511       8.700034  5.518616       3.601684  
1 1 1 4  9  9  o 208.7977 1.939149  437.3629       8.053551  448.1277       10.91320  424.4901       11.93402  5.671661       3.878297  
1 1 1 4  9  10 o 138.5850 1.603027  192.5447       4.377477  190.0379       6.777115  194.3393       5.734149  -1.566788      3.206053  
1 1 1 4  9  11 o 87.60108 1.003978  76.36076       1.752731  81.48256       2.616827  72.19348       2.360426  5.298599       2.007955  
1 1 1 4  9  12 o 70.47277 1.270314  0.000000       0.000000  ?              ?         49.68331       1.790452  ?              ?         
1 1 1 4  9  13 o 61.54202 0.9329493 38.21689       1.094144  36.82821       1.836216  38.98140       1.362431  -1.760136      1.865899  
1 1 1 4  9  14 o 132.3759 1.290212  175.8740       3.392678  171.7142       5.070559  179.2458       4.565094  -2.862656      2.580423  
1 1 1 4  9  15 o 127.0334 1.406650  164.8568       3.497693  182.7480       4.665813  141.9037       5.284780  16.10574       2.813301  
1 1 1 4  9  16 o 88.62595 0.9789614 78.75571       1.721673  77.96772       2.595636  79.37476       2.300601  -0.8106155     1.957923  
1 1 1 4  9  17 o 21.18639 1.370762  4.507947       0.5804370 4.430047       0.8035782 4.592930       0.8393111 -0.3797894     2.741525  
1 1 1 4  9  18 o 33.27027 0.9998836 11.15188       0.6573457 11.40335       0.8706264 10.81844       1.002518  0.8957863      1.999767  
1 1 1 4  9  19 o 17.34543 2.233014  3.129624       0.7546650 2.626333       1.031598  3.709063       1.106890  -3.367623      4.466029  
1 1 1 4  9  20 o 8.346478 2.387955  0.3774977E-01  0.6484419 0.9531611      1.029542  -0.5641596     0.8348368 4.062924       4.775910  
1 1 1 4  9  21 o 14.68592 2.139212  2.334544       0.6069154 2.304854       0.8532265 2.364952       0.8634815 -0.1949434     4.278425  
1 1 1 4  9  22 o 27.98152 1.273931  8.041103       0.7123428 8.029260       0.9874469 8.053954       1.028624  -0.1319695E-01 2.547863  
1 1 1 4  9  23 o 17.32466 2.027496  3.279423       0.6734226 2.471720       0.9083673 4.265049       1.003441  -5.276446      4.054992  
1 1 1 4  9  24 o 14.67281 3.013389  2.825705       0.9018881 2.986331       1.596126  2.750366       1.093121  -0.3410816     6.026778  
1 1 1 4  10 0  o 34.58713 0.8333320 12.00234       0.5749163 12.23905       0.8199022 11.77337       0.8063754 0.000000       0.000000  
1 1 1 4  10 1  o 225.9808 2.360051  513.1352       10.11538  505.1160       17.24211  517.3436       12.49077  -2.779541      4.720102  
1 1 1 4  10 2  o 177.6119 2.419752  315.3618       6.865438  316.5662       15.39483  315.0628       7.670416  0.3030090      4.839504  
1 1 1 4  10 3  o 378.5538 3.471191  1438.562       26.08838  1413.254       39.15821  1458.761       34.98291  -6.096252      6.942383  
1 1 1 4  10 4  f 292.6638 2.878241  856.9627       16.83864  842.1941       23.37288  872.8998       24.27989  -5.233490      5.756482  
1 1 1 4  10 5  o 299.5659 2.756628  897.1642       16.31849  891.7844       21.45079  904.5547       25.14191  -2.091431      5.513256  
1 1 1 4  10 6  o 184.5318 1.644720  340.9415       5.886158  342.0027       7.468481  339.2013       9.563143  0.7696686      3.289440  
1 1 1 4  10 7  o 111.8439 1.246492  126.6730       2.692287  131.5307       3.427482  118.8470       4.350385  5.673996       2.492985  
1 1 1 4  10 8  o 48.93322 0.9197165 23.92948       0.8950240 20.63044       1.240559  27.51085       1.292552  -7.030205      1.839433  
1 1 1 4  10 9  o 96.09196 1.017155  92.58039       1.929865  93.81699       2.543760  90.90342       2.962282  1.518829       2.034311  
1 1 1 4  10 10 o 318.4292 2.936389  1015.370       18.48562  1022.624       28.42267  1010.052       24.33579  1.860077       5.872777  
1 1 1 4  10 11 o 187.7660 1.759554  352.7806       6.534486  351.6273       8.616632  354.3417       10.02469  -0.6890411     3.519108  
1 1 1 4  10 12 o 66.36768 0.9818118 43.72989       1.222895  45.04237       2.153260  43.10501       1.485756  1.447922       1.963624  
1 1 1 4  10 13 f 11.77513 2.441993  1.405471       0.6634420 2.075198       0.8848186 0.5454126      1.002696  4.649954       4.883986  
1 1 1 4  10 14 o 192.6100 1.810881  372.6970       6.926621  365.5891       10.37947  378.4039       9.300542  -3.382339      3.621763  
1 1 1 4  10 15 o 59.13867 0.9252520 35.22108       1.083535  33.26638       1.625233  36.78508       1.453765  -2.980530      1.850504  
1 1 1 4  10 16 o 46.75381 0.9289581 21.98507       0.8604580 21.17113       1.296095  22.62652       1.150599  -1.564934      1.857916  
1 1 1 4  10 17 o 72.25967 0.8359928 52.29781       1.207882  53.92612       1.724335  50.72905       1.692516  2.209610       1.671986  
1 1 1 4  10 18 o 64.45568 0.8682404 41.84184       1.108251  43.07356       1.480215  40.27060       1.671828  2.195889       1.736481  
1 1 1 4  10 19 o 32.53827 1.149729  10.38866       0.7314086 11.99950       1.195117  9.424050       0.9248273 3.890841       2.299458  
1 1 1 4  10 20 f 17.15853 2.198948  3.103711       0.7291722 3.987567       1.064959  2.323661       1.000470  5.063984       4.397897  
1 1 1 4  10 21 o 11.18659 2.303466  1.361093       0.5741686 1.816744       0.7709057 0.7934459      0.8604473 3.497196       4.606932  
1 1 1 4  10 22 o 21.50860 1.577801  4.814585       0.6777354 4.669374       0.9288469 4.979915       0.9911048 -0.6624584     3.155602  
1 1 1 4  10 23 o 21.67344 1.846331  4.958035       0.7878381 5.712662       1.255531  4.467919       1.011837  2.501690       3.692663  
1 1 1 4  10 24 o 11.18291 2.525916  1.414163       0.8053943 -0.3044704     1.214583  2.762907       1.075971  -7.182060      5.051832  
1 1 1 4  11 0  o 68.90169 1.383285  47.47203       1.898847  45.77032       2.586623  49.46091       2.796376  0.000000       0.000000  
1 1 1 4  11 1  o 101.5697 1.061046  103.1711       2.155213  102.1225       3.023474  104.2543       3.072991  -1.049080      2.122092  
1 1 1 4  11 2  o 271.1368 2.494071  736.2922       13.39598  738.5717       17.77635  733.2965       20.37871  1.011841       4.988141  
1 1 1 4  11 3  o 156.6560 1.469744  244.9227       4.543640  242.0847       5.943058  248.9151       7.048894  -2.171768      2.939489  
1 1 1 4  11 4  o 300.2474 2.555665  902.0540       15.34458  910.6776       21.91700  893.7630       21.49031  2.812073       5.111330  
1 1 1 4  11 5  o 317.8899 2.702554  1011.281       17.18213  1014.022       24.36357  1008.569       24.23535  0.8563843      5.405109  
1 1 1 4  11 6  o 203.7868 1.888937  416.3295       7.647328  423.8039       10.28996  407.1078       11.42948  4.102783       3.777874  
1 1 1 4  11 7  o 371.3461 3.257966  1382.514       23.48701  1388.999       29.86057  1371.992       38.03447  2.386017       6.515932  
1 1 1 4  11 8  o 131.5829 1.512953  172.8099       3.888770  171.4332       4.980370  174.9601       6.224454  -1.331558      3.025906  
1 1 1 4  11 9  o 144.1786 1.378412  208.3206       3.946025  211.0953       5.291773  204.8450       5.922359  2.174042       2.756825  
1 1 1 4  11 10 o 175.1266 1.656749  306.4421       5.733378  310.1198       8.841847  303.7738       7.531350  1.789566       3.313498  
1 1 1 4  11 11 o 142.1443 1.368790  201.8270       3.842996  199.8513       5.040633  204.5696       5.938783  -1.642090      2.737579  
1 1 1 4  11 12 o 105.0634 1.241291  110.1059       2.437554  111.5073       4.308176  109.4460       2.956243  0.9497452      2.482583  
1 1 1 4  11 13 o 99.97980 0.9731296 99.80759       1.942674  96.41604       2.656830  103.7043       2.847814  -3.640175      1.946259  
1 1 1 4  11 14 o 33.52219 1.191966  11.27682       0.7803843 11.37301       1.003305  11.12948       1.241671  0.3717041      2.383931  
1 1 1 4  11 15 o 81.44751 0.9700847 66.12054       1.555207  67.95997       2.440302  64.86250       2.018137  1.886452       1.940169  
1 1 1 4  11 16 o 64.14554 0.8308093 41.19937       1.065806  41.25403       1.500714  41.14373       1.513928  0.8668518E-01  1.661619  
1 1 1 4  11 17 o 77.38953 0.9351563 60.08228       1.430259  60.30847       1.885215  59.77554       2.195421  0.3736649      1.870313  
1 1 1 4  11 18 f 76.23377 0.9247544 58.46309       1.395640  59.48029       1.855669  57.13841       2.117640  1.568237       1.849509  
1 1 1 4  11 19 o 28.63433 1.089811  8.223023       0.6227329 7.705005       0.8474038 8.831222       0.9182058 -1.949951      2.179621  
1 1 1 4  11 20 o 30.17123 1.157607  9.026132       0.6912258 7.999120       0.9017460 10.48936       1.076349  -4.068893      2.315214  
1 1 1 4  11 21 o 21.16390 1.506227  4.697319       0.6206985 5.551075       0.8464326 3.704137       0.9129350 4.399128       3.012455  
1 1 1 4  11 22 o 14.54695 2.542266  2.270967       0.7135475 1.790001       0.8798829 3.194904       1.219520  -4.068185      5.084531  
1 1 1 4  11 23 f 31.16475 1.284664  10.11075       0.8005902 10.06856       1.121078  10.15466       1.143672  -0.1125832     2.569328  
1 1 1 4  11 24 o 15.05954 2.672836  2.958205       0.8008814 3.039093       1.064862  2.852864       1.215204  1.021048       5.345673  
1 1 1 4  12 0  o 241.9952 3.603350  582.1901       16.23135  573.9152       19.59526  600.2794       28.97217  0.000000       0.000000  
1 1 1 4  12 1  o 259.9325 2.394203  677.0287       12.33936  682.1865       16.44149  670.3766       18.67141  2.301880       4.788407  
1 1 1 4  12 2  o 189.8573 1.633887  360.4342       6.201983  354.6733       8.635321  366.5717       8.913134  -3.131180      3.267774  
1 1 1 4  12 3  o 58.01361 0.8633803 34.03572       0.9890069 36.75697       1.332460  30.69732       1.475838  5.223160       1.726761  
1 1 1 4  12 4  f 183.7168 1.712864  337.9152       6.235640  339.7755       8.287601  335.4877       9.466591  1.174881       3.425728  
1 1 1 4  12 5  o 108.9656 1.224059  117.1719       2.478619  114.5806       2.979382  122.9967       4.466866  -3.856071      2.448117  
1 1 1 4  12 6  f 296.2825 2.524814  878.2793       14.96071  873.8549       21.05834  882.7881       21.25836  -1.506012      5.049629  
1 1 1 4  12 7  o 250.1594 2.311689  626.3400       11.44979  627.3288       15.16336  625.0284       17.46422  0.4811554      4.623379  
1 1 1 4  12 8  o 351.5185 3.539240  1238.905       22.52169  1240.312       26.69074  1235.428       41.96676  0.9618530      7.078480  
1 1 1 4  12 9  o 194.9863 1.821018  381.0969       7.047320  385.5876       9.433118  375.4245       10.60176  2.623566       3.642035  
1 1 1 4  12 10 o 175.2059 1.653727  307.6841       5.749297  310.9053       7.686444  303.5931       8.662199  2.104874       3.307453  
1 1 1 4  12 11 o 146.3613 1.308490  214.3716       3.830229  214.9490       5.414633  213.7934       5.418893  0.3948669      2.616979  
1 1 1 4  12 12 o 137.7965 1.439369  189.3018       3.953095  181.0969       5.331172  199.3232       5.891820  -6.597366      2.878738  
1 1 1 4  12 13 o 171.2457 1.509372  293.6128       5.167845  289.4471       7.200737  298.0374       7.421116  -2.499786      3.018743  
1 1 1 4  12 14 o 82.47364 1.098427  67.87788       1.699935  67.47659       2.069287  68.71088       2.981307  -0.7171631     2.196853  
1 1 1 4  12 15 o 86.29207 0.9226562 74.55016       1.591942  75.43272       2.234444  73.64038       2.268638  1.039772       1.845312  
1 1 1 4  12 16 o 98.84169 0.9888940 97.85703       1.954703  99.17202       2.787138  96.58414       2.742146  1.306190       1.977788  
1 1 1 4  12 17 o 51.54751 0.9061888 26.56946       0.9184707 26.27830       1.191207  26.99635       1.442357  -0.6727600     1.812378  
1 1 1 4  12 18 o 70.72197 0.9216117 50.00997       1.278066  49.27843       1.646603  51.11860       2.027045  -1.249229      1.843223  
1 1 1 4  12 19 f 72.71759 0.8611556 53.11346       1.252152  53.17129       1.753208  53.05325       1.788954  0.8764648E-01  1.722311  
1 1 1 4  12 20 o 49.30041 0.8505090 24.39068       0.8376092 25.91243       1.218432  23.02712       1.153361  2.910313       1.701018  
1 1 1 4  12 21 o 30.78494 1.146193  9.654845       0.7022752 10.15067       0.9637618 9.093532       1.025440  1.744612       2.292385  
1 1 1 4  12 22 o 27.81559 1.461623  7.668739       0.7810937 6.764477       0.9579791 9.462193       1.349131  -4.462412      2.923246  
1 1 1 4  12 23 o 36.82530 1.403983  14.56009       0.9918062 15.55150       1.267526  12.99457       1.592795  3.882839       2.807967  
1 1 1 4  12 24 o 6.164170 2.092332  -1.071473      0.7498040 -1.319529      1.048830  -0.8121794     1.072326  -0.6089478     4.184663  
1 1 1 4  13 0  f 132.8987 1.660640  176.7600       4.409693  174.3533       6.151544  179.3040       6.324550  0.000000       0.000000  
1 1 1 4  13 1  o 67.32946 0.7109632 45.33558       0.9573737 45.45804       1.354976  45.21350       1.352888  0.1815948      1.421926  
1 1 1 4  13 2  o 225.2063 1.929097  507.4112       8.688813  508.7615       12.32057  506.0751       12.25536  0.5958710      3.858195  
1 1 1 4  13 3  o 104.7478 1.042042  109.1332       2.145629  106.5912       2.773299  112.9237       3.386493  -3.020149      2.084085  
1 1 1 4  13 4  o 157.1120 1.690630  245.4711       4.959603  242.9378       6.003024  250.9186       8.802983  -2.523407      3.381260  
1 1 1 4  13 5  o 256.4681 2.194624  657.9550       11.25618  663.4246       16.03818  652.6454       15.80174  2.099945       4.389248  
1 1 1 4  13 6  o 345.9026 2.942893  1197.337       20.35710  1187.615       28.55015  1207.392       29.03452  -2.853790      5.885786  
1 1 1 4  13 7  o 96.13925 1.183688  92.27482       2.230535  91.60532       2.875921  93.28553       3.533593  -0.8704605     2.367377  
1 1 1 4  13 8  o 310.8058 2.864551  967.9620       17.64296  971.8768       23.44340  962.8489       26.79246  1.510193       5.729102  
1 1 1 4  13 9  o 180.7707 1.704921  325.4071       6.062817  318.3912       7.852362  335.7633       9.540235  -4.779526      3.409842  
1 1 1 4  13 10 o 80.05768 0.9357233 64.22038       1.489624  65.17501       2.010206  63.05772       2.218448  1.324760       1.871447  
1 1 1 4  13 11 o 74.06854 0.8673674 54.89151       1.284322  55.30412       1.793638  54.45736       1.839856  0.5722427      1.734735  
1 1 1 4  13 12 o 95.34203 1.038978  91.17822       1.972247  88.46269       2.906308  93.49619       2.685157  -2.644760      2.077955  
1 1 1 4  13 13 o 89.87358 1.001984  80.83797       1.788660  80.77685       2.691408  80.88631       2.393767  -0.6855011E-01 2.003968  
1 1 1 4  13 14 o 81.75996 0.9711746 67.05363       1.578160  68.32137       2.127939  65.50401       2.352653  1.730080       1.942349  
1 1 1 4  13 15 o 148.9761 1.446952  222.8139       4.277597  220.0041       6.443856  225.0275       5.719575  -1.731339      2.893905  
1 1 1 4  13 16 o 43.26777 0.9258641 18.63528       0.7986646 16.98224       1.082381  20.61100       1.183321  -4.186836      1.851728  
1 1 1 4  13 17 o 112.6073 1.074520  127.2381       2.419837  126.9800       3.402514  127.5022       3.442165  -0.2273254     2.149040  
1 1 1 4  13 18 o 45.71613 1.013037  20.85460       0.9207541 19.71526       1.224835  22.33508       1.396219  -2.835289      2.026074  
1 1 1 4  13 19 o 24.76463 1.306208  6.201331       0.6460518 6.314654       0.8954188 6.078281       0.9330530 0.4877090      2.612417  
1 1 1 4  13 20 o 50.74319 0.8832701 25.91786       0.8957707 26.13857       1.246801  25.68239       1.287816  0.4597778      1.766540  
1 1 1 4  13 21 o 13.93835 2.163319  2.183411       0.6048780 2.891653       0.8175347 1.326744       0.8991282 5.573271       4.326639  
1 1 1 4  13 22 o 19.60246 1.789978  4.067624       0.6988203 3.969360       0.9418160 4.187994       1.042380  -0.4361362     3.579956  
1 1 1 4  13 23 o 25.15119 1.618382  6.708540       0.8039306 6.448900       1.049474  7.077274       1.250665  -0.9489193     3.236763  
1 1 1 4  13 24 o 19.15356 2.201749  4.382963       0.8105965 4.753695       1.099530  3.941586       1.199725  2.682140       4.403498  
1 1 1 4  14 0  o 143.6433 1.789372  206.5260       5.136329  204.3106       7.190636  208.8339       7.339380  0.000000       0.000000  
1 1 1 4  14 1  o 262.9225 2.245248  691.5576       11.80470  684.1092       16.51969  699.3296       16.87470  -2.891083      4.490496  
1 1 1 4  14 2  o 228.9256 1.961691  524.2608       8.981141  527.5975       12.78162  521.0068       12.62238  1.438232       3.923383  
1 1 1 4  14 3  o 98.09512 0.9210088 96.01275       1.804078  100.0654       2.643391  92.47919       2.468302  3.866158       1.842018  
1 1 1 4  14 4  o 338.7201 3.111189  1148.989       20.87862  1153.503       27.72301  1143.074       31.73578  1.578033       6.222377  
1 1 1 4  14 5  f 481.8269 4.088934  2324.809       39.40160  2336.746       56.02313  2313.125       55.42622  2.443756       8.177869  
1 1 1 4  14 6  o 98.14616 1.099289  96.27232       2.156943  98.67846       3.105041  94.02846       2.998503  2.368469       2.198578  
1 1 1 4  14 7  o 377.2136 3.210995  1423.693       24.21000  1456.240       34.98114  1393.772       33.54050  8.258545       6.421989  
1 1 1 4  14 8  o 83.22294 1.140630  69.69874       1.887037  75.93550       2.615518  62.92790       2.725207  7.815826       2.281259  
1 1 1 4  14 9  o 122.4914 1.454378  150.6973       3.527740  154.4715       4.704303  145.8477       5.332497  3.529022       2.908756  
1 1 1 4  14 10 o 167.2728 1.523453  278.9704       4.907890  276.0967       6.144671  284.0342       8.156723  -2.331406      3.046906  
1 1 1 4  14 11 o 168.1677 1.721668  283.0857       5.787773  279.3358       8.040013  287.1191       8.338436  -2.305267      3.443336  
1 1 1 4  14 12 o 86.16237 0.9323725 74.21813       1.605129  72.88094       2.213486  75.70116       2.331067  -1.633881      1.864745  
1 1 1 4  14 13 o 40.27845 1.133979  16.40401       0.8784728 16.86774       1.108941  15.62270       1.439417  1.555435       2.267957  
1 1 1 4  14 14 o 97.63257 1.079699  95.67220       2.091466  93.39117       3.143156  97.48462       2.801757  -2.108742      2.159399  
1 1 1 4  14 15 o 39.39640 1.359712  16.65405       0.9760485 12.62612       1.656119  18.79772       1.208173  -7.861103      2.719424  
1 1 1 4  14 16 o 50.87934 0.9440106 25.61145       0.9409658 24.40183       1.202038  27.52576       1.512168  -3.046215      1.888021  
1 1 1 4  14 17 o 26.90247 1.244561  7.321729       0.6649223 7.910439       0.9139615 6.659781       0.9691476 2.331850       2.489121  
1 1 1 4  14 18 o 47.37347 0.9963786 22.53567       0.9191056 22.65687       1.481094  22.45976       1.172089  0.1518631      1.992757  
1 1 1 4  14 19 o 29.97776 1.251416  9.013002       0.7475156 9.827456       1.117130  8.352671       1.005892  2.428896       2.502832  
1 1 1 4  14 20 o 46.67418 0.9427454 21.77089       0.8764746 24.00014       1.312462  19.97645       1.177531  4.273869       1.885491  
1 1 1 4  14 21 o 23.07273 1.411126  5.535614       0.6388047 6.340264       0.8712599 4.600190       0.9393955 3.806835       2.822252  
1 1 1 4  14 22 o 30.78076 1.337040  10.03311       0.8005335 11.93372       1.094431  7.846062       1.174004  6.708897       2.674079  
1 1 1 4  14 23 o 23.59802 2.047016  6.295108       0.9270098 5.731572       1.486420  6.653803       1.185887  -2.526381      4.094033  
1 1 1 4  15 0  o 115.8541 1.488634  134.3700       3.446732  134.6560       4.881995  134.0857       4.866871  0.000000       0.000000  
1 1 1 4  15 1  o 241.9697 2.072600  585.5533       10.02746  594.3608       14.38312  577.2242       13.98711  3.537994       4.145199  
1 1 1 4  15 2  o 295.5813 2.520780  874.0713       14.89967  883.3325       21.29511  865.1895       20.85442  3.065125       5.041561  
1 1 1 4  15 3  o 58.08955 0.7234632 33.60709       0.8387629 31.45280       1.143202  36.11889       1.234424  -4.016079      1.446926  
1 1 1 4  15 4  o 455.6318 4.174299  2081.240       37.71105  2096.259       50.24336  2061.862       57.06934  3.858673       8.348598  
1 1 1 4  15 5  o 169.2632 1.601061  286.8383       5.370094  288.5658       7.138272  284.5860       8.151015  1.181244       3.202123  
1 1 1 4  15 6  o 367.1415 3.609646  1350.053       26.50482  1352.875       37.56888  1347.257       37.39866  0.7624207      7.219292  
1 1 1 4  15 7  f 327.0305 3.221733  1071.036       21.06974  1061.656       29.53242  1080.760       30.06906  -2.911407      6.443466  
1 1 1 4  15 8  o 160.3109 1.728436  258.1660       5.253311  254.0432       8.961429  260.3246       6.484315  -1.993851      3.456871  
1 1 1 4  15 9  o 212.5222 2.354045  454.8447       9.950027  420.5633       14.48825  485.4468       13.68870  -15.28548      4.708090  
1 1 1 4  15 10 o 245.2813 2.485729  609.3416       11.19144  619.0751       13.44771  587.4122       20.18485  6.690323       4.971458  
1 1 1 4  15 11 o 224.0306 2.089155  503.5583       9.277141  506.8957       12.34596  499.2297       14.06030  1.777725       4.178310  
1 1 1 4  15 12 o 99.89120 1.078538  98.84953       2.121199  105.4548       3.350052  94.42909       2.740563  5.502235       2.157076  
1 1 1 4  15 13 o 45.09015 0.9439772 20.19975       0.8481994 22.49180       1.261274  18.30734       1.146057  4.637016       1.887954  
1 1 1 4  15 14 o 40.47065 1.027973  16.43018       0.8300751 17.05078       1.149311  15.75347       1.200146  1.604591       2.055947  
1 1 1 4  15 15 o 77.15730 0.8991162 59.44342       1.383899  57.42390       1.878767  61.83890       2.046191  -2.852364      1.798232  
1 1 1 4  15 16 o 80.25961 0.9018034 64.41959       1.443959  62.79033       1.963629  66.33791       2.130723  -2.196259      1.803607  
1 1 1 4  15 17 o 76.00802 0.9650207 57.90459       1.439861  57.69441       1.864086  58.21547       2.267106  -0.2963562     1.930041  
1 1 1 4  15 18 o 39.17487 0.9744660 15.40306       0.7629973 16.11810       1.101064  14.74249       1.058289  1.748051       1.948932  
1 1 1 4  15 19 o 55.37685 0.9371263 30.88547       1.018620  31.06747       1.321809  30.61935       1.598368  0.4645920      1.874253  
1 1 1 4  15 20 o 41.71312 1.155207  18.01120       0.9299611 15.89758       1.474181  19.40828       1.198528  -4.309265      2.310413  
1 1 1 4  15 21 o 24.91078 1.530238  6.499696       0.7253659 6.820164       0.9110470 5.944767       1.198857  1.937275       3.060476  
1 1 1 4  15 22 o 26.31865 1.812965  7.425399       0.9318913 7.591971       1.206553  7.179115       1.467113  1.118649       3.625930  
1 1 1 4  15 23 o 10.65195 2.979292  1.159743       0.9168710 1.650350       1.501603  0.8680995      1.157748  2.015397       5.958585  
1 1 1 4  16 0  o 327.3369 3.948602  1072.983       25.82929  1085.063       36.93924  1061.427       36.13045  0.000000       0.000000  
1 1 1 4  16 1  o 464.5745 3.943326  2161.353       36.63911  2166.000       51.93161  2156.747       51.70022  0.9928284      7.886651  
1 1 1 4  16 2  o 250.8445 2.147833  629.4459       10.77498  632.9761       15.32348  625.9933       15.15419  1.390717       4.295667  
1 1 1 4  16 3  o 342.1483 2.911860  1170.983       19.91928  1190.161       28.61462  1152.952       27.74570  5.430084       5.823720  
1 1 1 4  16 4  o 297.9274 2.543193  887.8232       15.14966  901.1575       21.73196  875.2169       21.13042  4.348480       5.086387  
1 1 1 4  16 5  o 278.3583 2.571279  776.7237       14.20471  786.3845       19.01287  764.5187       21.37012  3.951843       5.142557  
1 1 1 4  16 6  o 135.3763 1.573806  182.0189       4.136010  188.6822       6.769108  178.0492       5.224736  3.915970       3.147611  
1 1 1 4  16 7  o 122.9588 1.380713  150.9945       3.203607  151.9972       5.549458  150.4934       3.923373  0.5964050      2.761427  
1 1 1 4  16 8  o 193.8889 1.684248  376.1657       6.530608  378.9682       9.307346  373.4479       9.165632  1.421402       3.368497  
1 1 1 4  16 9  o 65.16986 0.8988807 42.66533       1.164466  44.43991       1.582552  40.57014       1.719576  2.970501       1.797761  
1 1 1 4  16 10 o 99.09043 1.058310  98.30464       2.091667  107.7498       2.982501  89.16286       2.934219  9.377975       2.116621  
1 1 1 4  16 11 o 78.83423 0.9086087 61.87675       1.374897  61.12340       1.712964  63.24096       2.305093  -1.332298      1.817217  
1 1 1 4  16 12 o 62.15871 1.056192  38.81463       1.304262  40.10268       1.763317  37.25865       1.938051  2.292339       2.112384  
1 1 1 4  16 13 o 96.49384 1.077757  93.42254       2.060139  94.85797       2.742784  91.56439       3.120597  1.719017       2.155514  
1 1 1 4  16 14 o 44.09155 1.012966  19.44779       0.8913637 19.26044       1.218691  19.66330       1.307105  -0.4535522     2.025933  
1 1 1 4  16 15 o 118.3614 1.215031  140.7561       2.854505  142.9008       3.825676  138.0624       4.287431  2.079987       2.430062  
1 1 1 4  16 16 o 62.52636 0.8807245 39.19711       1.100657  39.76690       1.536067  38.59587       1.577903  0.9400253      1.761449  
1 1 1 4  16 17 f 25.18595 1.330540  6.482249       0.6584394 7.671172       0.9164980 5.214001       0.9465784 4.883139       2.661081  
1 1 1 4  16 18 o 10.19981 2.370941  0.9648550      0.6049860 1.567763       0.8358602 0.3014964      0.8767635 3.867358       4.741881  
1 1 1 4  16 19 o 18.07955 1.993534  3.435187       0.6849303 3.548763       0.8861404 3.266635       1.079509  1.144718       3.987068  
1 1 1 4  16 20 o 7.718232 2.291403  0.1532997      0.5983481 0.3507306E-01  0.8226529 0.2860972      0.8718747 -0.7674937     4.582807  
1 1 1 4  16 21 o 10.87493 2.600531  1.257536       0.6721508 1.148923       0.9197959 1.382004       0.9846435 -0.7884350     5.201063  
1 1 1 4  16 22 o 30.95647 1.366181  10.00903       0.8309050 12.42196       1.199139  7.780509       1.152408  7.448029       2.732361  
1 1 1 4  16 23 o 27.54558 1.669477  8.132837       0.9161289 7.218954       1.250762  9.190622       1.345638  -3.423147      3.338953  
1 1 1 4  17 0  o 42.25198 1.434571  16.52539       1.088660  21.39681       2.151935  14.84980       1.262079  0.000000       0.000000  
1 1 1 4  17 1  o 439.4315 3.733513  1933.070       32.81037  1918.888       46.08532  1947.648       46.72298  -3.265381      7.467027  
1 1 1 4  17 2  o 252.3403 2.162813  636.9368       10.91435  642.1964       15.55967  631.8422       15.31371  2.050034       4.325625  
1 1 1 4  17 3  o 397.9845 3.383252  1584.802       26.91891  1612.416       38.73323  1559.005       37.43798  6.695862       6.766505  
1 1 1 4  17 4  f 535.6447 5.579715  2875.165       56.23726  2867.956       68.70261  2889.803       97.90269  -1.422058      11.15943  
1 1 1 4  17 5  o 284.3658 2.436214  809.2332       13.85545  807.2612       19.55681  811.2203       19.63252  -0.6952820     4.872427  
1 1 1 4  17 6  o 270.7113 2.854061  727.2938       14.38174  751.4330       25.73899  716.3364       17.34131  6.352203       5.708122  
1 1 1 4  17 7  f 114.7010 1.154601  130.9689       2.609811  135.2315       4.083006  128.0243       3.393552  3.135361       2.309202  
1 1 1 4  17 8  o 125.5193 1.149368  157.6099       2.885340  157.3176       4.072401  157.9045       4.088622  -0.2335968     2.298736  
1 1 1 4  17 9  o 169.4551 1.916023  287.8565       6.377196  285.9624       9.993929  289.1576       8.282636  -0.9873962     3.832046  
1 1 1 4  17 10 o 176.1717 1.596868  313.3301       5.521127  325.3818       7.227180  296.4390       8.556067  8.250031       3.193737  
1 1 1 4  17 11 o 195.7088 1.769604  383.2107       6.687228  381.5342       8.414841  386.0843       11.01667  -1.056671      3.539207  
1 1 1 4  17 12 o 60.80716 1.266275  36.99671       1.539971  36.99671       1.539971  ?              ?         ?              ?         
1 1 1 4  17 13 o 43.74980 1.142591  19.05513       0.9911232 19.95718       1.518603  18.38579       1.308145  1.788086       2.285182  
1 1 1 4  17 14 o 63.95399 1.004271  40.84141       1.279862  42.14759       1.904936  39.76664       1.727973  1.854252       2.008541  
1 1 1 4  17 15 o 84.13480 0.9566746 70.90769       1.609606  72.32261       2.281066  69.50446       2.271617  1.674179       1.913349  
1 1 1 4  17 16 o 74.85870 1.002083  56.32894       1.471511  56.86312       1.908618  55.54607       2.310586  0.9211197      2.004167  
1 1 1 4  17 17 o 38.70605 1.132240  14.92040       0.8502959 15.60068       1.395839  14.51901       1.072193  1.348186       2.264480  
1 1 1 4  17 18 o 98.39028 1.166850  97.45338       2.294273  93.06942       3.172196  102.2617       3.322183  -4.633545      2.333700  
1 1 1 4  17 19 o 27.19197 1.232529  7.458377       0.6687215 7.148440       0.9087117 7.824493       0.9876412 -1.215992      2.465058  
1 1 1 4  17 20 o 57.59502 0.8841506 33.37042       1.015786  36.92034       1.470145  30.12752       1.405135  5.876202       1.768301  
1 1 1 4  17 21 o 26.58839 1.474466  7.284035       0.7810183 8.239197       1.150643  6.468004       1.063545  3.254633       2.948933  
1 1 1 4  17 22 o 15.75423 2.387536  2.841662       0.7297608 2.404277       0.9832391 3.378109       1.088906  -2.849284      4.775071  
1 1 1 4  17 23 o 29.88195 1.476220  9.476036       0.8814653 9.807525       1.279954  9.176999       1.215688  0.9584618      2.952441  
1 1 1 4  18 0  o 144.0071 1.821985  207.6041       5.243713  208.5468       7.445627  206.6763       7.386190  0.000000       0.000000  
1 1 1 4  18 1  o 421.7488 3.585540  1779.792       30.23063  1748.289       42.00635  1813.638       43.54002  -7.729584      7.171079  
1 1 1 4  18 2  o 302.0606 3.146895  920.2740       18.13541  937.2061       22.60344  889.6796       30.38364  7.950653       6.293789  
1 1 1 4  18 3  o 523.2279 5.458336  2735.872       53.53341  2715.991       65.08459  2777.453       94.12708  -5.267395      10.91667  
1 1 1 4  18 4  o 138.4725 1.354599  190.3328       3.680388  199.1183       5.856541  184.5988       4.731358  5.236099       2.709197  
1 1 1 4  18 5  o 84.41315 1.510478  69.58942       2.130053  74.36461       4.562308  68.25841       2.408690  3.601303       3.020957  
1 1 1 4  18 6  f 106.2505 1.247247  112.4599       2.495064  114.3077       4.351870  111.5550       3.045273  1.283928       2.494494  
1 1 1 4  18 7  o 343.7693 2.935901  1184.309       20.18479  1191.033       28.68762  1177.716       28.40566  1.929504       5.871801  
1 1 1 4  18 8  o 70.29028 0.9496442 49.15314       1.331069  53.05112       1.977067  45.92147       1.800175  5.069611       1.899288  
1 1 1 4  18 9  o 180.8709 1.582626  327.4722       5.724891  329.0183       8.129713  325.9512       8.063133  0.8462982      3.165252  
1 1 1 4  18 10 o 141.7971 1.505956  203.1127       3.921725  205.9498       4.711360  196.7117       7.076645  3.322464       3.011911  
1 1 1 4  18 11 o 48.70649 1.081544  23.36609       0.9441963 22.90945       1.106180  24.59183       1.812322  -1.708168      2.163087  
1 1 1 4  18 12 o 99.10226 1.205236  98.67132       2.277133  99.49049       2.828186  97.16145       3.839623  1.207909       2.410472  
1 1 1 4  18 13 o 75.22233 0.9465457 56.60096       1.422366  56.01152       1.960135  57.25655       2.067191  -0.8241577     1.893091  
1 1 1 4  18 14 o 84.69617 1.016465  71.43787       1.692789  69.74912       2.189284  73.94855       2.669413  -2.456154      2.032930  
1 1 1 4  18 15 o 46.16182 1.025589  21.29537       0.9430995 20.71996       1.270906  22.00054       1.406930  -1.376873      2.051179  
1 1 1 4  18 16 o 11.05961 2.452643  1.175447       0.6597164 1.863137       0.8956272 0.3597407      0.9754333 4.444827       4.905286  
1 1 1 4  18 17 o 58.00066 0.8926111 33.69576       1.032505  32.90673       1.401375  34.63268       1.527076  -1.469608      1.785222  
1 1 1 4  18 18 o 42.60340 1.326550  18.26105       1.126895  20.37493       1.649874  16.41252       1.542845  4.620502       2.653100  
1 1 1 4  18 19 o 26.90574 1.356010  7.347698       0.7277053 7.348038       1.068973  7.347405       0.9934351 -0.2833366E-01 2.712019  
1 1 1 4  18 20 o 33.37211 1.204672  11.32885       0.7756663 11.38761       0.9779925 11.22920       1.273538  0.3696556      2.409343  
1 1 1 4  18 21 o 21.47794 1.885620  4.938265       0.7857119 5.048061       1.005975  4.766510       1.258197  0.9546127      3.771240  
1 1 1 4  18 22 o 20.88406 1.877211  4.733116       0.7766058 3.966738       1.079875  5.554080       1.117672  -3.740431      3.754423  
1 1 1 4  18 23 o 8.917698 2.534542  0.7094447      0.7221609 1.163218       0.9671309 0.1375855      1.085701  2.041610       5.069085  
1 1 1 4  19 0  f 391.0721 5.786372  1531.300       42.51304  1525.863       51.89808  1542.391       74.12144  0.000000       0.000000  
1 1 1 4  19 1  f 122.0787 1.462065  147.9746       3.465657  144.6488       4.378723  153.5516       5.670254  -3.639046      2.924130  
1 1 1 4  19 2  f 585.2526 5.371460  3436.861       62.23669  3435.195       94.99251  3438.115       82.38062  -0.5263062     10.74292  
1 1 1 4  19 3  o 121.2919 1.213168  147.0077       2.909706  148.0485       4.470668  146.2428       3.832537  0.7409744      2.426335  
1 1 1 4  19 4  o 203.3072 1.905832  414.0282       7.685102  409.7012       11.61055  417.4022       10.25246  -1.906342      3.811664  
1 1 1 4  19 5  f 12.60566 2.490553  1.738026       0.7188087 0.3626055      1.228774  2.453552       0.8862720 -5.584054      4.981106  
1 1 1 4  19 6  o 234.1053 2.188329  544.4948       10.04315  569.2678       16.02118  528.4580       12.89028  8.659210       4.376657  
1 1 1 4  19 7  o 186.5041 1.883080  348.1331       7.022808  345.0689       9.823555  351.3360       10.04360  -1.675888      3.766161  
1 1 1 4  19 8  o 117.4925 1.098619  138.1008       2.581494  138.8825       3.670057  137.3353       3.631811  0.6578827      2.197238  
1 1 1 4  19 9  o 115.9105 1.089694  134.3764       2.525657  136.9563       3.614993  131.9162       3.530155  2.172630       2.179388  
1 1 1 4  19 10 o 81.24623 1.357618  66.53193       1.689836  66.78567       1.866416  65.37809       3.980034  0.9215469      2.715236  
1 1 1 4  19 11 o 52.80766 0.9294451 28.36215       0.9570090 30.29900       1.248832  25.60644       1.489612  4.448616       1.858890  
1 1 1 4  19 12 o 76.31587 0.9696941 58.30447       1.465359  58.41173       1.941354  58.16243       2.233984  0.1717300      1.939388  
1 1 1 4  19 13 o 38.06234 1.246508  14.44451       0.9459993 15.32344       1.406467  13.71838       1.278378  2.102852       2.493017  
1 1 1 4  19 14 o 82.78101 0.9714429 68.64186       1.607003  68.88695       2.229800  68.37698       2.318059  0.3129349      1.942886  
1 1 1 4  19 15 o 85.77361 1.088165  73.44411       1.816772  72.31675       2.308633  75.27790       2.944425  -1.665161      2.176331  
1 1 1 4  19 16 o 23.37676 1.616927  5.501431       0.7542589 6.040037       1.088329  5.003641       1.046280  2.209160       3.233854  
1 1 1 4  19 17 o 27.06758 1.459510  7.145076       0.7560608 6.564117       0.9263464 8.304253       1.308506  -3.112000      2.919020  
1 1 1 4  19 18 o 71.68353 0.8963993 51.63642       1.285090  52.22662       1.826175  51.05744       1.808734  0.8121033      1.792799  
1 1 1 4  19 19 o 15.63015 2.282732  2.632399       0.6901234 2.486820       0.9815086 2.774744       0.9705476 -0.9379339     4.565464  
1 1 1 4  19 20 o 19.21414 1.769495  3.761963       0.6740600 3.190771       0.8949146 4.510921       1.024752  -3.343506      3.538990  
1 1 1 4  19 21 o 32.49390 1.320085  10.87656       0.8563517 11.78144       1.250285  10.07693       1.175317  2.555471       2.640171  
1 1 1 4  19 22 o 42.00701 1.349627  17.11769       1.059596  22.49138       1.962029  14.90512       1.258978  8.150608       2.699253  
1 1 1 4  19 23 o 26.48711 1.741718  7.866324       0.9115435 8.808955       1.261454  6.836223       1.318684  3.852814       3.483436  
1 1 1 4  20 0  o 54.75809 1.165872  30.07397       1.274029  30.51815       1.794132  29.62216       1.809463  0.000000       0.000000  
1 1 1 4  20 1  o 73.25191 0.9337303 53.33599       1.342291  55.32911       2.130873  52.02485       1.728297  2.253754       1.867461  
1 1 1 4  20 2  o 145.4203 1.411082  211.2224       4.054373  213.4563       6.253577  209.6025       5.325168  1.319107       2.822164  
1 1 1 4  20 3  o 48.45217 1.439824  22.95633       1.227233  24.59052       2.436927  22.40105       1.420512  2.252331       2.879648  
1 1 1 4  20 4  o 69.24374 1.028048  48.39263       1.360166  46.45175       2.267205  49.48398       1.700097  -2.193123      2.056095  
1 1 1 4  20 5  o 238.2286 2.371173  567.3585       11.28401  585.5929       16.45305  551.1647       15.50510  7.207947       4.742345  
1 1 1 4  20 6  o 118.4926 1.106152  140.3274       2.619433  137.4686       3.621190  143.4650       3.793704  -2.528496      2.212304  
1 1 1 4  20 7  o 143.8486 1.408211  205.8344       3.977941  200.8209       5.129200  213.4011       6.301305  -4.353073      2.816423  
1 1 1 4  20 8  o 233.3486 2.015013  545.3789       9.403427  549.5386       13.38926  541.3300       13.20947  1.753616       4.030025  
1 1 1 4  20 9  f 139.7298 1.363996  195.7966       3.782699  198.5231       5.066087  192.3613       5.686611  2.220200       2.727992  
1 1 1 4  20 10 f 141.6626 1.584484  197.1116       4.124847  191.3853       4.906387  210.9152       7.617637  -6.790329      3.168967  
1 1 1 4  20 11 o 174.3268 1.817820  306.3808       5.790277  308.9825       6.920369  300.3083       10.57275  2.655319       3.635640  
1 1 1 4  20 12 o 93.73568 1.190076  84.51138       1.930113  81.29289       2.208230  94.92889       3.972833  -7.207611      2.380152  
1 1 1 4  20 13 o 10.02358 2.815765  0.5095946      0.8512402 0.2248785      1.230213  0.7711363      1.179085  -1.024232      5.631530  
1 1 1 4  20 14 o 78.81023 1.076333  60.83037       1.619696  57.74157       1.988721  66.91570       2.791393  -5.764427      2.152666  
1 1 1 4  20 15 o 23.21266 1.606283  5.302031       0.7365404 4.634458       0.9551606 6.281244       1.156821  -3.515642      3.212567  
1 1 1 4  20 16 o 65.50896 1.076719  43.43699       1.375467  41.47701       2.177459  44.73834       1.774279  -2.543869      2.153438  
1 1 1 4  20 17 o 63.24561 1.092620  40.25750       1.379887  43.28502       1.968498  37.33258       1.934848  4.698895       2.185240  
1 1 1 4  20 18 o 22.05390 1.610106  4.953853       0.7090938 5.145607       0.9896669 4.751564       1.016491  0.9034042      3.220212  
1 1 1 4  20 19 o 14.28015 2.541609  2.204557       0.7152047 2.071201       0.9238366 2.404039       1.129901  -0.9809904     5.083218  
1 1 1 4  20 20 o 25.76967 1.473405  6.788186       0.7585603 6.362240       1.053965  7.245940       1.092611  -1.692797      2.946810  
1 1 1 4  20 21 o 38.69444 1.115812  15.25868       0.8609095 14.53141       1.163929  16.13719       1.279244  -1.989319      2.231625  
1 1 1 4  20 22 o 20.16020 2.005706  4.537029       0.7985843 4.941572       1.087758  4.064065       1.176153  2.340628       4.011411  
1 1 1 4  20 23 o 18.03015 2.335059  3.981798       0.8093025 3.512992       1.210788  4.360393       1.088074  -3.013971      4.670118  
1 1 1 4  21 0  o 165.2476 2.537587  272.7319       7.876073  276.0475       13.75475  271.1144       9.606962  0.000000       0.000000  
1 1 1 4  21 1  o 356.2743 3.509075  1271.526       25.00362  1267.499       35.26707  1275.596       35.45460  -1.132996      7.018149  
1 1 1 4  21 2  o 323.6742 3.575059  1047.059       22.59435  1062.083       36.21958  1037.488       28.90888  3.655304       7.150118  
1 1 1 4  21 3  f 124.5790 1.246390  155.2914       3.072367  155.5680       4.061276  154.9214       4.697879  0.2647400      2.492779  
1 1 1 4  21 4  o 182.6722 1.728267  334.5162       6.266918  339.0381       8.397026  328.8304       9.415717  2.807938       3.456535  
1 1 1 4  21 5  o 52.36362 0.8762090 27.39427       0.9168887 28.15665       1.329502  26.70280       1.266169  1.387726       1.752418  
1 1 1 4  21 6  o 73.47429 0.8681796 53.95378       1.275183  52.59060       1.770608  55.42278       1.838044  -1.926689      1.736359  
1 1 1 4  21 7  o 207.1341 1.944769  430.0433       7.982230  432.4368       10.60910  426.9204       12.11792  1.371719       3.889538  
1 1 1 4  21 8  o 159.2288 1.530502  254.2029       4.832153  256.9350       6.444732  250.6949       7.302818  1.980331       3.061004  
1 1 1 4  21 9  o 57.25785 0.9950527 32.82999       1.136224  33.17834       1.553742  32.42955       1.665834  0.6561012      1.990105  
1 1 1 4  21 10 o 138.9097 1.262745  193.1777       3.508137  193.9337       4.966139  192.4247       4.956386  0.5428619      2.525490  
1 1 1 4  21 11 o 248.7088 2.325396  623.0487       11.51288  643.5668       15.70204  599.1940       16.93061  8.999786       4.650792  
1 1 1 4  21 12 o 102.3837 1.217162  104.8944       2.488347  106.2949       3.633882  103.6579       3.414466  1.278809       2.434324  
1 1 1 4  21 13 f 28.74775 1.358920  8.022449       0.7348735 7.556198       0.8867062 9.045136       1.313229  -2.563786      2.717840  
1 1 1 4  21 14 o 111.9293 1.235680  125.1168       2.706493  123.1477       3.471788  128.1672       4.321274  -2.172218      2.471359  
1 1 1 4  21 15 o 23.57665 1.716304  5.637610       0.8032224 5.307055       1.189823  5.914392       1.088751  -1.305984      3.432608  
1 1 1 4  21 16 o 40.26008 1.058829  16.33352       0.8489346 17.04555       1.164640  15.52628       1.240056  1.897423       2.117657  
1 1 1 4  21 17 o 37.62331 1.302667  14.27156       0.9051521 14.22435       1.087942  14.37771       1.631501  -0.5474472E-01 2.605334  
1 1 1 4  21 18 o 25.67674 1.409760  6.730854       0.7179692 7.093593       0.9723865 6.296061       1.064590  1.586657       2.819520  
1 1 1 4  21 19 o 33.31511 1.184889  11.26862       0.7890998 11.40462       1.102895  11.12597       1.129491  0.4300690      2.369779  
1 1 1 4  21 20 o 35.15508 1.383419  13.17334       0.9156323 14.41569       1.153908  11.06117       1.504580  5.004852       2.766839  
1 1 1 4  21 21 o 13.39706 2.287346  1.909745       0.7556219 0.1540826      1.051804  3.782283       1.086250  -10.46564      4.574691  
1 1 1 4  21 22 o 20.32011 2.126603  4.824552       0.8033864 6.011924       1.105444  3.495387       1.169587  6.591652       4.253207  
1 1 1 4  22 0  o 301.6251 4.474907  916.5234       25.58022  924.9789       31.61038  900.4802       43.54190  0.000000       0.000000  
1 1 1 4  22 1  o 78.68752 0.9586752 61.41430       1.481290  59.34983       1.906162  64.56174       2.353610  -3.308838      1.917350  
1 1 1 4  22 2  o 172.9059 1.525893  298.7904       5.272597  306.9075       7.642046  291.4162       7.283989  4.475616       3.051786  
1 1 1 4  22 3  o 91.26776 0.9407021 83.23678       1.716056  85.47878       2.480674  81.17927       2.376420  2.354637       1.881404  
1 1 1 4  22 4  o 193.6444 1.689832  375.2246       6.544015  377.7542       9.324625  372.7697       9.186198  1.284882       3.379664  
1 1 1 4  22 5  o 267.0568 2.481134  714.8187       13.12636  716.7480       17.41890  712.2834       19.96806  0.9030151      4.962269  
1 1 1 4  22 6  o 286.5892 2.655470  824.6008       15.09713  832.7150       20.16395  814.2491       22.77480  3.311340       5.310939  
1 1 1 4  22 7  o 103.3610 1.018020  106.8809       2.104310  106.8175       2.957194  106.9459       2.995053  -0.6152344E-01 2.036040  
1 1 1 4  22 8  o 40.01282 0.9336609 15.99601       0.7465844 16.55848       1.082332  15.48545       1.031183  1.339981       1.867322  
1 1 1 4  22 9  o 27.99563 1.231400  7.853902       0.6827896 9.345778       0.9854276 6.476279       0.9469424 5.123793       2.462801  
1 1 1 4  22 10 o 150.4359 1.457923  225.6632       4.320690  221.0943       5.616610  232.2866       6.762448  -3.677597      2.915846  
1 1 1 4  22 11 o 80.87314 0.9096484 65.25875       1.467985  62.75994       1.996495  68.19968       2.165928  -3.358414      1.819297  
1 1 1 4  22 12 o 56.75494 1.011400  32.33017       1.131455  32.76717       1.485011  31.72540       1.746951  0.9271164      2.022801  
1 1 1 4  22 13 o 60.78886 1.001352  38.47807       1.151084  42.39482       1.457720  31.99060       1.876067  8.580357       2.002705  
1 1 1 4  22 14 o 68.60641 0.9637812 47.21641       1.320211  48.05001       1.824602  46.30044       1.912628  1.282127       1.927562  
1 1 1 4  22 15 o 16.92764 2.347836  3.021810       0.7653565 3.180662       1.053068  2.843955       1.114279  1.040283       4.695672  
1 1 1 4  22 16 o 35.21920 1.157130  12.48733       0.8146462 12.67785       1.139578  12.28820       1.165011  0.5580902      2.314260  
1 1 1 4  22 17 o 23.24922 1.576687  5.562449       0.7191958 5.979232       0.9530497 5.011184       1.096075  2.128870       3.153374  
1 1 1 4  22 18 o 38.48840 1.225326  14.96665       0.9422836 14.36180       1.298004  15.64056       1.370098  -1.635845      2.450651  
1 1 1 4  22 19 o 38.05874 1.118297  14.68667       0.8496928 15.66562       1.200380  13.70357       1.202918  2.578671       2.236595  
1 1 1 4  22 20 o 32.03237 1.320407  10.54166       0.8449769 10.98756       1.230982  10.14436       1.161958  1.261951       2.640814  
1 1 1 4  22 21 o 12.88960 3.076983  1.900020       0.9007914 2.570060       1.561935  1.566105       1.102633  2.576897       6.153966  
1 1 1 4  22 22 o 14.91371 2.497407  2.813283       0.8027673 3.948706       1.080710  1.415555       1.199061  7.825239       4.994814  
1 1 1 4  23 0  o 161.2525 2.035226  260.3211       6.557526  263.8068       9.396142  257.0113       9.156002  0.000000       0.000000  
1 1 1 4  23 1  o 271.5063 2.332709  737.6282       12.66064  723.6440       17.57386  752.7178       18.25528  -5.340790      4.665417  
1 1 1 4  23 2  o 269.2590 2.313878  725.8253       12.45878  733.7819       17.80686  718.1951       17.43769  2.886902       4.627756  
1 1 1 4  23 3  f 222.2408 1.925641  494.0560       8.554409  504.3246       12.34723  484.5774       11.86283  4.433884       3.851283  
1 1 1 4  23 4  o 246.5530 2.128562  608.6425       10.49493  603.6921       14.71318  613.7702       14.97443  -2.037827      4.257123  
1 1 1 4  23 5  o 199.5294 1.742863  398.5529       6.955043  398.7911       9.831616  398.3144       9.840220  0.1196442      3.485726  
1 1 1 4  23 6  o 272.0083 2.340426  740.9210       12.72426  758.3640       18.39487  724.9171       17.61980  6.121857       4.680852  
1 1 1 4  23 7  o 110.5860 1.068401  122.3444       2.362669  121.5216       3.309054  123.2000       3.374545  -0.7576447     2.136803  
1 1 1 4  23 8  o 119.8914 1.397420  142.0348       3.098516  139.1019       3.711122  148.7847       5.629978  -3.984238      2.794841  
1 1 1 4  23 9  o 55.75861 0.9207306 31.14566       1.015869  31.36537       1.344863  30.85372       1.550236  0.4635696      1.841461  
1 1 1 4  23 10 o 73.03099 0.9452943 53.47480       1.371289  52.45408       2.052711  54.29745       1.842814  -1.267418      1.890589  
1 1 1 4  23 11 o 75.71588 0.9556615 57.45667       1.439812  56.56465       2.138232  58.19664       1.947507  -1.083710      1.911323  
1 1 1 4  23 12 o 10.64898 2.708463  0.9775391      0.7346591 1.255242       0.8931311 0.3965048      1.291890  1.190576       5.416926  
1 1 1 4  23 13 o 74.25628 0.9556006 55.54239       1.376263  56.54203       1.753366  53.93805       2.221253  1.782196       1.911201  
1 1 1 4  23 14 o 33.94930 1.216498  11.53933       0.7900075 11.46130       0.9815027 11.68287       1.331288  -0.2859535     2.432997  
1 1 1 4  23 15 o 33.12211 1.295730  11.02103       0.8549142 10.89722       1.155470  11.17078       1.270805  -0.3949471     2.591461  
1 1 1 4  23 16 o 39.64378 1.528350  16.11202       1.173492  16.81024       1.503692  15.02436       1.876770  2.355358       3.056700  
1 1 1 4  23 17 o 72.78516 0.9626636 53.31945       1.399521  54.11914       1.939055  52.44989       2.021993  1.164207       1.925327  
1 1 1 4  23 18 o 20.33742 1.860549  4.256771       0.7448736 4.285292       0.9738338 4.216558       1.156343  0.2648697      3.721097  
1 1 1 4  23 19 o 15.37010 2.686764  2.703064       0.8049173 2.901051       1.004791  2.348435       1.344760  1.919312       5.373529  
1 1 1 4  23 20 o 19.96354 1.912378  4.202912       0.7563941 3.494168       1.014804  5.088861       1.134598  -3.844204      3.824756  
1 1 1 4  23 21 o 16.26157 2.415549  3.133303       0.7720816 3.756184       1.055484  2.416408       1.132339  4.454187       4.831098  
1 1 1 4  23 22 o 8.146842 2.534976  0.1767498      0.7962019 0.3932918      1.202676  0.7795419E-02  1.062337  1.005678       5.069953  
1 1 1 4  24 0  o 315.7260 3.828542  999.6891       24.15933  1001.947       34.24691  997.4521       34.08657  0.000000       0.000000  
1 1 1 4  24 1  o 134.0851 1.235520  179.8047       3.312439  177.3849       4.621515  182.3611       4.750125  -1.854034      2.471039  
1 1 1 4  24 2  o 252.1707 2.175225  636.6705       10.96913  643.2922       15.66640  630.3024       15.36342  2.568802       4.350449  
1 1 1 4  24 3  o 335.4025 3.100598  1128.185       20.57861  1126.795       27.18961  1130.049       31.48590  -0.3341370     6.201195  
1 1 1 4  24 4  o 149.4917 1.351815  223.5047       4.039963  219.7216       5.615047  227.5650       5.817047  -2.619858      2.703629  
1 1 1 4  24 5  o 108.7990 1.058435  118.3008       2.301419  115.3437       3.180933  121.5490       3.333846  -2.849434      2.116871  
1 1 1 4  24 6  o 176.4602 1.562216  311.7216       5.513235  310.9553       7.764747  312.5009       7.829439  -0.4363251     3.124433  
1 1 1 4  24 7  o 240.0293 2.252721  576.5349       10.66508  570.6714       13.93724  584.8194       16.56667  -2.834152      4.505442  
1 1 1 4  24 8  o 80.70227 0.9741833 65.43603       1.562906  67.98976       2.122781  62.41306       2.309582  3.459587       1.948367  
1 1 1 4  24 9  o 92.21408 1.042430  84.99183       1.900803  85.82143       2.922396  84.38351       2.502475  0.7685471      2.084861  
1 1 1 4  24 10 o 117.8403 1.220678  139.5665       2.860637  133.3609       4.221432  144.8358       3.889969  -4.880997      2.441357  
1 1 1 4  24 11 o 34.11048 1.118563  11.64664       0.7629864 11.48221       1.068091  11.81798       1.090304  -0.4913063     2.237126  
1 1 1 4  24 12 o 74.80587 1.153209  55.81673       1.511071  55.55607       1.753180  56.56982       2.979986  -0.6108093     2.306419  
1 1 1 4  24 13 o 80.90500 1.028293  65.64538       1.646751  65.97791       2.181153  65.20456       2.511306  0.5011978      2.056586  
1 1 1 4  24 14 o 55.21245 0.9557711 30.09848       1.012887  28.97129       1.255013  32.20447       1.715444  -2.882458      1.911542  
1 1 1 4  24 15 o 35.25958 1.316703  12.46118       0.9084707 12.27012       1.165547  12.75693       1.450118  -0.6414642     2.633407  
1 1 1 4  24 16 o 46.20424 1.057100  21.49206       0.9704818 21.55016       1.301460  21.41928       1.456532  0.1746979      2.114199  
1 1 1 4  24 17 o 17.93269 2.477184  3.434563       0.8654573 4.442730       1.243062  2.486126       1.205677  5.669216       4.954368  
1 1 1 4  24 18 o 39.27193 1.115253  15.55740       0.8728428 15.21363       1.179958  15.97283       1.297114  -0.9261551     2.230507  
1 1 1 4  24 19 o 60.41854 1.041643  36.89428       1.257162  37.62867       1.830536  36.23869       1.729551  1.110275       2.083285  
1 1 1 4  24 20 o 13.29300 2.771070  2.090374       0.7854244 2.166772       1.055660  1.995647       1.175493  0.6005154      5.542139  
1 1 1 4  24 21 o 9.297125 2.686153  0.6728328      0.7897419 0.4367745      1.061628  0.9653219      1.181728  -1.374572      5.372306  
1 1 1 4  24 22 o 12.00898 2.971365  1.985030       0.8836936 1.828345       1.254254  2.139475       1.245258  -0.8166971     5.942730  
1 1 1 4  25 0  o 33.18025 1.619530  11.17033       1.063619  11.70354       1.513839  10.65051       1.494712  0.000000       0.000000  
1 1 1 4  25 1  o 151.2933 1.364613  228.9035       4.127169  224.8796       5.731190  233.2378       5.948258  -2.758743      2.729227  
1 1 1 4  25 2  f 263.6602 2.273066  696.4385       11.98634  696.6406       16.95289  696.2365       16.94960  0.7656860E-01  4.546132  
1 1 1 4  25 3  o 279.3800 2.592634  783.7510       14.37203  792.5312       19.21618  772.6045       21.65126  3.651367       5.185268  
1 1 1 4  25 4  f 210.1820 1.834219  442.2309       7.708328  436.5029       10.75272  448.2867       11.05606  -2.795151      3.668439  
1 1 1 4  25 5  o 188.2055 1.654751  354.6416       6.228586  356.3165       8.835639  352.9871       8.781709  0.8831024      3.309502  
1 1 1 4  25 6  o 92.43908 1.056843  85.44482       1.922425  85.19207       2.502397  85.80881       3.002994  -0.3237610     2.113685  
1 1 1 4  25 7  o 151.2780 1.475287  228.8710       4.411213  227.2342       5.800613  231.1159       6.793077  -1.249756      2.950574  
1 1 1 4  25 8  o 95.53365 1.175938  91.89571       2.153836  89.43751       3.576102  93.29501       2.698095  -2.044510      2.351876  
1 1 1 4  25 9  o 132.5080 1.332821  175.8486       3.494390  175.6712       5.345622  175.9810       4.617563  -0.1435089     2.665643  
1 1 1 4  25 10 o 105.5233 1.123647  111.6456       2.357835  109.8988       3.513466  113.0769       3.180331  -1.518173      2.247295  
1 1 1 4  25 11 o 78.97356 0.9927807 62.75306       1.555568  65.35450       2.098622  59.58089       2.317429  3.663651       1.985561  
1 1 1 4  25 12 o 27.06208 1.403379  7.368752       0.7544029 7.167577       1.126209  7.532496       1.016049  -0.6838207     2.806758  
1 1 1 4  25 13 o 55.01075 0.9882348 30.22707       1.037643  29.97518       1.285221  30.69867       1.758562  -0.6166611     1.976470  
1 1 1 4  25 14 o 25.39205 1.397977  6.556562       0.6688301 6.704929       0.8236859 6.269405       1.145920  0.9047375      2.795954  
1 1 1 4  25 15 o 38.14371 1.439383  14.64923       1.096564  13.95608       1.503753  15.43639       1.602504  -1.917519      2.878765  
1 1 1 4  25 16 o 10.16544 2.681473  0.7738101      0.7387183 0.4112228      0.9785922 1.254139       1.126328  -2.561766      5.362946  
1 1 1 4  25 17 o 70.34322 0.9922816 49.75599       1.387284  48.94512       1.854127  50.78727       2.090991  -1.244659      1.984563  
1 1 1 4  25 18 o 11.72254 2.972564  1.301705       0.8414950 1.163619       1.019589  1.596717       1.490283  -1.806165      5.945128  
1 1 1 4  25 19 o 24.14471 1.743235  6.106915       0.8365438 6.414469       1.141837  5.750571       1.229077  1.450193       3.486470  
1 1 1 4  25 20 o 9.456329 2.647295  0.7208216      0.7417158 0.5086178      0.9853904 0.9982168      1.126630  -1.457757      5.294590  
1 1 1 4  25 21 f 14.87586 2.472519  2.814720       0.8607664 4.510939       1.161233  0.7461256      1.282378  10.46932       4.945039  
1 1 1 4  26 0  o 97.56200 1.414303  95.33377       2.756817  95.82283       3.928959  94.85947       3.869183  0.000000       0.000000  
1 1 1 4  26 1  o 192.5799 1.690804  371.1642       6.510650  366.0125       9.084581  376.6044       9.335441  -2.744049      3.381608  
1 1 1 4  26 2  o 198.1990 1.736019  393.2418       6.880559  389.4999       9.633038  397.1391       9.831145  -1.922226      3.472039  
1 1 1 4  26 3  o 248.7230 2.152200  619.5538       10.70223  630.2557       15.38532  609.5206       14.89696  4.152588       4.304399  
1 1 1 4  26 4  o 88.99055 0.9543847 79.22775       1.698595  78.74301       2.403283  79.71160       2.401070  -0.5442352     1.908769  
1 1 1 4  26 5  o 127.9860 1.294078  163.9453       3.273314  163.9273       4.310511  163.9697       5.030852  0.7095337E-03  2.588155  
1 1 1 4  26 6  f 97.83092 1.073149  95.51372       2.074970  94.10738       2.723201  97.46046       3.203971  -1.702538      2.146297  
1 1 1 4  26 7  o 75.53033 0.9744819 57.33769       1.462335  54.59788       2.166275  59.63142       1.982086  -3.336647      1.948964  
1 1 1 4  26 8  f 114.4445 1.185093  131.5060       2.701482  125.9543       3.953084  136.3706       3.700370  -4.558594      2.370186  
1 1 1 4  26 9  o 113.3409 1.179436  128.8073       2.657248  126.8358       3.967668  130.4109       3.578261  -1.591240      2.358872  
1 1 1 4  26 10 o 21.61293 1.793931  4.745154       0.7620011 5.071179       1.010619  4.315603       1.160029  1.757156       3.587861  
1 1 1 4  26 11 o 98.79681 1.093345  97.86442       2.143435  96.92734       3.232346  98.59988       2.863592  -0.8651962     2.186691  
1 1 1 4  26 12 o 39.96439 1.027069  15.95646       0.8194376 15.26207       1.118444  16.76114       1.204000  -1.869747      2.054138  
1 1 1 4  26 13 o 11.81575 2.655246  1.424075       0.7205541 1.760386       0.9158964 0.8778445      1.167249  2.239923       5.310491  
1 1 1 4  26 14 o 60.59903 1.087702  36.17263       1.154190  35.44499       1.334149  38.33728       2.301121  -2.258545      2.175405  
1 1 1 4  26 15 o 49.81448 0.9683213 25.51923       0.9307804 27.54613       1.199430  22.45078       1.475767  5.162342       1.936643  
1 1 1 4  26 16 o 50.74053 1.116349  25.92641       1.132277  26.40458       1.633480  25.48417       1.570914  0.8918610      2.232697  
1 1 1 4  26 17 o 59.15730 1.174155  35.37994       1.376641  35.33112       1.828059  35.44388       2.092317  -0.6450653E-02 2.348311  
1 1 1 4  26 18 o 18.77569 2.228417  3.860144       0.7933077 4.647371       1.085231  2.956716       1.162570  4.848499       4.456835  
1 1 1 4  26 19 o 31.36499 1.489394  10.20822       0.9339866 9.873105       1.315705  10.54864       1.326069  -1.067625      2.978788  
1 1 1 4  26 20 o 8.721870 2.573321  -0.1731053     0.8781468 1.331354       1.202195  -1.894064      1.285789  4.648261       5.146641  
1 1 1 4  26 21 o 22.03856 2.126794  5.471110       0.9357635 5.567079       1.295405  5.366383       1.353227  0.5759087      4.253588  
1 1 1 4  27 0  o 243.6258 2.989681  595.1315       14.55587  589.6776       20.40315  600.7843       20.77203  0.000000       0.000000  
1 1 1 4  27 1  o 85.43990 0.9383683 73.02017       1.603271  72.57774       2.246446  73.47948       2.288883  -0.5270767     1.876737  
1 1 1 4  27 2  o 66.85954 0.8850586 44.71227       1.183411  44.04319       1.663448  45.39793       1.683934  -1.012840      1.770117  
1 1 1 4  27 3  o 43.94090 0.9608866 19.31530       0.8443197 18.85576       1.188490  19.78353       1.199686  -1.055515      1.921773  
1 1 1 4  27 4  o 62.47610 1.170621  39.87073       1.422684  43.29205       1.860040  35.04745       2.208494  6.605831       2.341243  
1 1 1 4  27 5  o 136.8837 1.460281  187.5940       3.997445  189.4095       5.697948  185.8343       5.609570  1.303116       2.920561  
1 1 1 4  27 6  o 91.12212 1.048854  82.56503       1.879580  85.95260       2.965895  80.29142       2.429801  3.092178       2.097708  
1 1 1 4  27 7  o 180.5782 1.600160  326.2213       5.772891  317.1763       7.944683  336.3393       8.402764  -5.287308      3.200320  
1 1 1 4  27 8  o 106.5786 1.139830  113.5138       2.406535  115.1208       3.676944  112.3095       3.182962  1.302650       2.279660  
1 1 1 4  27 9  o 105.5528 1.149336  110.6769       2.379774  107.2555       3.057461  115.9356       3.790467  -4.083694      2.298673  
1 1 1 4  27 10 o 52.46587 1.015151  27.61946       1.048070  27.20663       1.629059  27.91100       1.369015  -0.6814308     2.030302  
1 1 1 4  27 11 o 14.90776 2.313283  2.330530       0.6712008 2.399577       0.9499550 2.261695       0.9484890 0.4524555      4.626565  
1 1 1 4  27 12 o 29.63578 1.218570  8.821890       0.7209783 8.973549       0.9954636 8.654564       1.045619  0.5432339      2.437139  
1 1 1 4  27 13 o 38.87346 1.274477  15.68918       0.8677744 16.27917       1.018407  14.12546       1.657970  2.852169       2.548954  
1 1 1 4  27 14 o 52.72697 1.123532  27.71330       1.115362  27.28715       1.359260  28.59169       1.951462  -1.148457      2.247065  
1 1 1 4  27 15 o 36.53477 1.278919  13.41227       0.9291520 12.91713       1.239880  14.04650       1.403276  -1.502365      2.557838  
1 1 1 4  27 16 o 48.25715 1.190059  23.13475       1.112659  22.07586       1.394776  24.98794       1.845176  -2.890942      2.380118  
1 1 1 4  27 17 o 39.93473 1.160816  16.11521       0.9242339 15.98992       1.256158  16.26308       1.364707  -0.3050652     2.321632  
1 1 1 4  27 18 o 8.965084 2.664289  0.2457615      0.8183120 0.5285157      1.110299  -0.9047043E-01 1.210751  0.8706102      5.328578  
1 1 1 4  27 19 o 28.20329 1.737338  8.402133       0.9778917 8.605050       1.436663  8.226962       1.334840  0.5503521      3.474675  
1 1 1 4  27 20 o 30.36204 1.639717  9.797955       0.9638028 9.694785       1.218989  9.970007       1.574177  0.5277634E-01  3.279434  
1 1 1 4  27 21 o 13.46920 2.772754  2.331792       0.7945722 1.968521       1.077301  2.765155       1.176650  -2.259400      5.545508  
1 1 1 4  28 0  o 36.34557 1.965804  13.96789       1.310390  15.03529       1.623159  11.97028       2.220510  0.000000       0.000000  
1 1 1 4  28 1  o 125.1206 1.362720  156.6761       3.409715  158.4466       4.866221  154.9684       4.779090  1.387749       2.725441  
1 1 1 4  28 2  o 110.8469 1.409081  122.1307       3.022150  119.6525       3.799886  126.3967       4.985554  -3.010674      2.818161  
1 1 1 4  28 3  o 191.0979 1.945140  365.9602       7.434104  364.6905       10.47505  367.2488       10.55219  -0.6663818     3.890280  
1 1 1 4  28 4  o 82.56618 1.158586  68.14600       1.788511  68.47191       3.153063  67.99139       2.171684  0.2651978      2.317172  
1 1 1 4  28 5  o 138.0508 1.274331  190.7357       3.517448  188.1969       4.904749  193.4240       5.047154  -1.888565      2.548662  
1 1 1 4  28 6  o 164.7018 1.590464  272.5015       5.212738  263.5793       7.696746  280.0618       7.085035  -5.028351      3.180927  
1 1 1 4  28 7  f 108.2891 1.234957  117.2491       2.671167  114.5108       3.668688  120.3385       3.896828  -2.682938      2.469915  
1 1 1 4  28 8  o 125.4168 1.379576  157.5157       3.459573  159.7985       4.960209  155.3532       4.827632  1.766296       2.759151  
1 1 1 4  28 9  f 47.48467 1.117750  22.54933       1.060750  23.76555       1.527826  21.41749       1.473881  2.470303       2.235500  
1 1 1 4  28 10 o 61.19048 0.9110280 37.46664       1.114607  36.29990       1.557883  38.69022       1.595370  -1.951519      1.822056  
1 1 1 4  28 11 o 26.63467 1.394977  7.138923       0.7410675 7.559562       1.032974  6.692836       1.063760  1.629875       2.789954  
1 1 1 4  28 12 f 20.79466 2.179258  4.528875       0.7891269 4.642888       0.9375281 4.251796       1.461537  1.364643       4.358517  
1 1 1 4  28 13 o 47.37722 0.8840394 22.39904       0.8346115 21.35339       1.123951  23.68435       1.246118  -2.447433      1.768079  
1 1 1 4  28 14 o 30.61031 1.216190  9.157542       0.6994374 8.655578       0.8436225 10.26128       1.250965  -2.534100      2.432379  
1 1 1 4  28 15 o 26.15133 1.511054  6.835575       0.7588482 6.597742       0.9417453 7.275901       1.281400  -1.188854      3.022107  
1 1 1 4  28 16 o 71.22499 1.376551  51.10780       1.960896  51.10780       1.960896  ?              ?         ?              ?         
1 1 1 4  28 17 o 55.98109 1.119911  31.69980       1.252662  33.17988       1.820534  30.36900       1.726283  2.470684       2.239823  
1 1 1 4  28 18 o 49.75887 1.208309  25.22480       1.201420  24.63986       1.722348  25.77915       1.676702  -1.168907      2.416618  
1 1 1 4  28 19 f 11.36050 2.708722  1.346930       0.8363154 2.307797       1.102513  0.4478371E-01  1.283459  5.262388       5.417444  
1 1 1 4  28 20 o 9.985831 2.793458  0.9763226      0.8256143 1.030215       1.091426  0.9042328      1.262319  0.1996613E-01  5.586916  
1 1 1 4  28 21 o 9.563990 2.697815  1.003246       0.7765137 1.048233       1.102988  0.9590393      1.093387  0.2148504      5.395629  
1 1 1 4  29 0  o 82.75943 1.625310  69.22176       2.542800  67.07291       4.327589  70.35484       3.142492  0.000000       0.000000  
1 1 1 4  29 1  f 32.44602 1.414880  10.52231       0.9163309 10.27079       1.251067  10.81341       1.345898  -0.8332901     2.829759  
1 1 1 4  29 2  o 164.2671 1.473330  269.8235       4.835036  262.2824       6.651184  278.2744       7.041003  -4.854431      2.946661  
1 1 1 4  29 3  o 82.30238 0.9361030 67.56202       1.537767  64.50330       2.094979  71.13528       2.264344  -4.025085      1.872206  
1 1 1 4  29 4  o 186.8492 1.782509  350.9561       6.633144  336.7044       9.719879  363.3787       9.074686  -7.166794      3.565018  
1 1 1 4  29 5  o 93.86730 1.203520  88.55576       2.155380  87.01638       3.626526  89.39651       2.680102  -1.296448      2.407041  
1 1 1 4  29 6  o 61.36539 1.042219  37.69007       1.279047  37.18167       1.807494  38.20000       1.810199  -0.8296471     2.084437  
1 1 1 4  29 7  o 38.77111 1.194109  15.14145       0.9165021 14.34814       1.377887  15.77092       1.227388  -1.840519      2.388217  
1 1 1 4  29 8  o 55.40549 0.9585655 30.73570       1.061824  31.45769       1.495229  30.00119       1.508146  1.314819       1.917131  
1 1 1 4  29 9  o 60.82451 1.007696  37.10494       1.217772  37.62627       1.637403  36.45967       1.821675  0.9667549      2.015393  
1 1 1 4  29 10 o 52.90585 0.9972967 27.92606       1.048508  27.08323       1.396631  29.01460       1.587214  -1.813164      1.994593  
1 1 1 4  29 11 o 35.65912 1.370137  12.48659       0.8929881 12.08848       1.057369  13.47678       1.667591  -1.877144      2.740273  
1 1 1 4  29 12 o 92.23781 0.9787637 85.19437       1.804182  88.70911       2.614342  81.99837       2.492979  3.625237       1.957527  
1 1 1 4  29 13 o 9.646631 2.350337  0.6774805      0.6121799 -0.9060648E-01 0.8523114 1.496007       0.8798516 -4.645643      4.700674  
1 1 1 4  29 14 o 8.936479 2.543493  0.4270997      0.6781941 0.4748142      0.8489053 0.3429160      1.127583  -0.6317024     5.086987  
1 1 1 4  29 15 o 28.24843 1.277375  7.924825       0.6965083 7.562775       0.8683771 8.577868       1.166259  -1.712240      2.554749  
1 1 1 4  29 16 o 20.77303 2.042871  4.385519       0.8410618 3.717503       1.114227  5.270239       1.282281  -3.639585      4.085742  
1 1 1 4  29 17 o 47.81479 1.298266  22.84727       1.214106  25.21218       1.968924  21.39635       1.542212  3.786903       2.596531  
1 1 1 4  29 18 o 25.21140 2.058939  6.698209       1.029691  7.798034       1.579940  5.886129       1.357620  3.520159       4.117879  
1 1 1 4  29 19 o 28.01006 1.852405  8.848107       0.9618390 9.914559       1.211466  7.029521       1.582004  5.658524       3.704811  
1 1 1 4  29 20 o 13.99767 2.664840  2.508802       0.8410675 1.232866       1.232890  3.619515       1.150299  -6.893146      5.329681  
1 1 1 4  30 0  o 59.87616 1.263975  35.97927       1.510158  35.13555       2.144210  36.80970       2.127262  0.000000       0.000000  
1 1 1 4  30 1  o 37.98465 1.058744  14.39580       0.8027330 13.76903       1.094037  15.12675       1.181469  -1.784855      2.117488  
1 1 1 4  30 2  o 177.0098 2.028950  315.0032       7.068458  309.8750       10.97553  318.6376       9.239707  -2.563354      4.057900  
1 1 1 4  30 3  o 96.91946 1.301186  93.85380       2.474675  95.03897       3.908021  93.06046       3.197404  0.9975204      2.602372  
1 1 1 4  30 4  o 57.04268 1.000994  31.89902       1.125432  28.91269       1.449638  36.42974       1.785556  -6.580215      2.001988  
1 1 1 4  30 5  o 80.85085 0.9375168 65.36302       1.514880  64.15152       2.095508  66.68929       2.192511  -1.566856      1.875034  
1 1 1 4  30 6  o 51.95962 0.9539760 27.01819       0.9912649 26.90242       1.390768  27.13773       1.413222  -0.2257614     1.907952  
1 1 1 4  30 7  o 185.0276 1.645749  343.2210       6.089859  341.1513       8.559703  345.3424       8.666003  -1.126633      3.291498  
1 1 1 4  30 8  o 110.7273 1.098784  122.6500       2.431616  119.7741       3.363557  125.7984       3.519382  -2.713692      2.197569  
1 1 1 4  30 9  o 139.5767 1.396848  195.8840       3.876614  200.0865       5.240198  190.8037       5.761529  3.366028       2.793697  
1 1 1 4  30 10 o 38.93262 1.226948  15.01422       0.9334414 14.36859       1.187475  16.05833       1.510094  -2.143135      2.453897  
1 1 1 4  30 11 f 52.77804 0.9200519 27.91975       0.9710039 27.99197       1.386931  27.85032       1.359882  0.1317291      1.840104  
1 1 1 4  30 12 o 62.36193 1.007362  39.00094       1.255975  39.66035       1.805493  38.38263       1.748321  1.017784       2.014724  
1 1 1 4  30 13 o 59.08593 0.9793027 35.31731       1.136164  33.71951       1.762327  36.45374       1.486270  -2.359814      1.958605  
1 1 1 4  30 14 o 30.21415 1.381606  9.126145       0.8050894 8.836797       1.005482  9.643052       1.343908  -1.234125      2.763213  
1 1 1 4  30 15 o 43.62169 1.071635  19.52826       0.8819412 20.28793       1.092762  18.10892       1.493679  2.603786       2.143270  
1 1 1 4  30 16 o 29.69787 1.359616  9.119474       0.7421409 9.377804       0.8965322 8.557092       1.322801  1.558588       2.719232  
1 1 1 4  30 17 o 26.49336 1.740277  7.259984       0.9178159 7.331793       1.243869  7.174161       1.359846  0.3759022      3.480554  
1 1 1 4  30 18 o 45.19665 1.342211  21.48584       1.185185  23.29199       1.564488  19.05328       1.815620  4.913136       2.684421  
1 1 1 4  30 19 o 15.66429 2.772858  2.921471       0.8656313 2.359792       1.137638  3.693859       1.334067  -3.567878      5.545715  
1 1 1 4  30 20 o 23.47495 1.995796  5.950701       0.9156972 5.265074       1.155836  7.106377       1.500620  -3.215931      3.991592  
1 1 1 4  31 0  o 46.91198 1.625104  22.14241       1.458123  22.02780       1.824857  22.34480       2.425011  0.000000       0.000000  
1 1 1 4  31 1  o 74.04897 0.9894450 54.74916       1.452490  55.77724       2.214658  53.97314       1.924112  1.210815       1.978890  
1 1 1 4  31 2  o 153.1187 1.393559  234.7323       4.266766  232.0334       5.963554  237.5627       6.107247  -1.800323      2.787119  
1 1 1 4  31 3  o 40.85316 1.039370  16.71050       0.8487954 16.12552       1.202142  17.29206       1.198622  -1.427814      2.078741  
1 1 1 4  31 4  o 26.76366 1.406485  7.129663       0.7474928 6.016769       1.017545  8.434229       1.101691  -4.512859      2.812970  
1 1 1 4  31 5  o 92.40081 1.004399  85.30349       1.853751  82.59444       2.544304  88.36868       2.706395  -3.119339      2.008798  
1 1 1 4  31 6  o 124.6141 1.286242  155.5860       3.177008  155.9296       4.222757  155.1380       4.822717  0.3437576      2.572485  
1 1 1 4  31 7  o 107.0199 1.162270  115.0351       2.473845  118.2616       3.354332  111.1872       3.663116  3.318687       2.324539  
1 1 1 4  31 8  o 53.70287 0.9575316 28.88026       1.027670  30.36437       1.461368  27.42830       1.445453  2.732853       1.915063  
1 1 1 4  31 9  o 62.65834 0.9283034 39.32177       1.163224  40.02188       1.650319  38.63053       1.639826  1.109627       1.856607  
1 1 1 4  31 10 o 48.84502 0.9825484 23.90734       0.9594081 24.24616       1.381659  23.59184       1.333251  0.6654472      1.965097  
1 1 1 4  31 11 o 26.79838 1.392412  7.255719       0.7285289 7.379220       0.9384218 7.068374       1.155805  0.6116467      2.784823  
1 1 1 4  31 12 o 64.59065 0.9773626 41.72240       1.244024  42.70375       1.942367  41.03989       1.619855  1.246742       1.954725  
1 1 1 4  31 13 o 30.22439 1.215881  9.326303       0.7236400 7.598437       1.037268  10.96464       1.010038  -5.574738      2.431761  
1 1 1 4  31 14 o 33.11932 1.405255  10.66358       0.8144113 10.22428       0.9370742 12.01978       1.646486  -2.498600      2.810510  
1 1 1 4  31 15 o 11.77571 2.633125  1.285633       0.6621312 0.9363351      0.7975117 2.060596       1.187900  -3.943406      5.266251  
1 1 1 4  31 16 o 34.45217 1.371446  12.15894       0.8909936 12.27686       1.095275  11.92825       1.532020  0.7235336      2.742891  
1 1 1 4  31 17 o 11.50375 3.036255  1.152932       0.9540685 1.932314       1.457736  0.5689178      1.261872  3.393950       6.072511  
1 1 1 4  31 18 o 17.17791 2.688891  3.464168       0.8980631 3.597370       1.223538  3.308591       1.322311  1.011274       5.377782  
1 1 1 4  31 19 o 11.96628 3.117078  1.747830       0.9869903 1.875483       1.363973  1.607519       1.429997  0.6017103      6.234157  
1 1 1 4  31 20 o 12.04349 2.851122  1.910643       0.9434559 3.090136       1.262629  0.4196037      1.419623  6.108805       5.702243  
1 1 1 4  32 0  f 35.88872 1.577347  12.94678       1.116602  12.22362       1.485729  13.88541       1.692657  0.000000       0.000000  
1 1 1 4  32 1  o 113.6836 1.116066  129.2985       2.536781  132.3011       3.643364  126.4730       3.534225  2.559799       2.232131  
1 1 1 4  32 2  o 130.0923 1.229649  169.3177       3.197859  173.9430       4.609647  165.0266       4.440032  3.420761       2.459299  
1 1 1 4  32 3  o 166.1803 1.497056  276.1077       4.967952  287.1237       7.275392  266.4838       6.800151  6.187790       2.994112  
1 1 1 4  32 4  o 120.7381 1.167775  145.9599       2.819830  145.6700       3.972413  146.2544       4.003452  -0.2408218     2.335550  
1 1 1 4  32 5  o 148.0503 1.361859  219.3599       4.029229  214.3151       5.565286  224.9172       5.841095  -3.567642      2.723718  
1 1 1 4  32 6  o 95.30907 1.024607  90.78493       1.950585  88.04401       2.677769  93.88347       2.847100  -3.056862      2.049214  
1 1 1 4  32 7  o 78.66177 0.9618874 61.95555       1.513263  61.67604       2.140226  62.23496       2.139929  -0.3552780     1.923775  
1 1 1 4  32 8  o 72.93095 0.9441485 53.27454       1.376943  53.16932       1.929631  53.38371       1.965446  -0.1447906     1.888297  
1 1 1 4  32 9  o 35.49213 1.156144  12.64797       0.8196026 12.92153       1.138036  12.35319       1.181364  0.8047295      2.312288  
1 1 1 4  32 10 o 52.72324 1.010059  27.87210       1.059026  27.80501       1.423106  27.95536       1.585379  -0.1256981     2.020119  
1 1 1 4  32 11 o 83.06025 1.040915  68.90554       1.697057  71.00597       2.688140  67.51366       2.188258  2.038910       2.081829  
1 1 1 4  32 12 o 35.56805 1.079038  12.71024       0.7647452 12.88568       1.134707  12.56423       1.035161  0.4329338      2.158077  
1 1 1 4  32 13 o 27.99215 1.322435  7.837418       0.7364133 6.926920       0.9875904 8.977680       1.105196  -3.629572      2.644869  
1 1 1 4  32 14 o 23.65588 1.337428  5.666713       0.6313165 5.694586       0.8654109 5.635007       0.9230021 0.1446247      2.674855  
1 1 1 4  32 15 o 10.65530 2.766005  0.9536340      0.7453302 0.7631129      0.9226680 1.311436       1.264433  -2.177037      5.532011  
1 1 1 4  32 16 o 32.84193 1.355130  10.93629       0.8681240 10.68600       1.105996  11.33798       1.401124  -0.8339844     2.710259  
1 1 1 4  32 17 o 20.62706 2.415442  4.757120       0.9645072 5.032606       1.309555  4.430511       1.425898  1.938734       4.830884  
1 1 1 4  32 18 o 38.03972 1.312721  15.09323       0.9930807 16.05577       1.366165  14.01477       1.446098  2.764233       2.625442  
1 1 1 4  32 19 o 27.33723 1.807623  7.983542       0.9744545 7.096160       1.256275  9.323884       1.543963  -3.549955      3.615246  
1 1 1 4  33 0  o 296.9723 3.632892  887.7006       21.55629  901.9002       30.95339  874.3287       30.03761  0.000000       0.000000  
1 1 1 4  33 1  o 44.19082 1.016459  19.54373       0.8981565 20.14168       1.278519  18.96112       1.262012  1.335205       2.032919  
1 1 1 4  33 2  o 80.59921 1.028286  64.79942       1.636770  63.63240       2.142098  66.43668       2.537228  -1.726166      2.056572  
1 1 1 4  33 3  o 83.56671 0.9789885 69.89781       1.636123  70.91183       2.318584  68.89207       2.309101  1.208176       1.957977  
1 1 1 4  33 4  o 161.8636 1.469936  262.4352       4.756715  258.1761       6.616256  266.9920       6.843522  -2.711411      2.939872  
1 1 1 4  33 5  o 57.85838 0.9634023 33.45520       1.113197  32.54725       1.525999  34.48794       1.627495  -1.673244      1.926805  
1 1 1 4  33 6  o 33.55119 1.288328  11.26200       0.8626283 10.98432       1.175942  11.58550       1.269280  -0.8899879     2.576657  
1 1 1 4  33 7  o 44.99812 1.053375  20.28211       0.9464902 20.16323       1.300563  20.41597       1.380049  -0.2754250     2.106749  
1 1 1 4  33 8  o 44.56608 1.056521  19.85107       0.9402285 18.47411       1.293067  21.39583       1.369599  -3.271927      2.113042  
1 1 1 4  33 9  o 17.89548 2.273685  3.582108       0.7550110 4.761066       1.008287  2.077285       1.139141  7.685746       4.547371  
1 1 1 4  33 10 o 96.61693 1.115398  94.14584       2.133586  90.34470       3.218806  97.12484       2.849524  -3.553322      2.230796  
1 1 1 4  33 11 o 38.50137 1.028517  14.87195       0.7911710 13.94866       1.102919  15.85070       1.135565  -2.465477      2.057034  
1 1 1 4  33 12 o 19.72680 1.825545  3.977226       0.7049605 4.042950       0.9129465 3.880161       1.109472  0.4804554      3.651091  
1 1 1 4  33 13 f 40.91322 0.9927775 16.83958       0.8122048 16.86818       1.160249  16.81211       1.137355  0.6358719E-01  1.985555  
1 1 1 4  33 14 o 35.33587 1.098498  12.63651       0.7743928 12.08389       1.119129  13.14420       1.072662  -1.514961      2.196996  
1 1 1 4  33 15 f 50.44564 1.069201  25.10524       1.012224  23.94316       1.221852  27.64764       1.807264  -3.436684      2.138401  
1 1 1 4  33 16 o 22.58938 2.135296  5.249134       0.8734567 5.097122       1.030635  5.636639       1.645533  -0.6861782     4.270591  
1 1 1 4  33 17 o 15.96416 2.836621  2.944683       0.9088613 2.229521       1.192197  3.937020       1.404351  -4.586516      5.673243  
1 1 1 4  33 18 o 8.967318 2.673560  0.2416356      0.8946216 -0.9047557     1.349198  1.141167       1.195136  -2.965814      5.347120  
1 1 1 4  33 19 o 15.82321 3.964988  0.000000       0.000000  ?              ?         3.183244       1.253394  ?              ?         
1 1 1 4  34 0  o 34.00906 1.800933  11.61548       1.198737  10.72672       1.564899  12.87754       1.864803  0.000000       0.000000  
1 1 1 4  34 1  o 148.8922 1.368267  222.0857       4.074324  223.9818       5.793171  220.2300       5.731256  1.256897       2.736533  
1 1 1 4  34 2  o 130.0282 1.329883  169.4035       3.426558  169.5631       4.548923  169.1942       5.209801  0.1735382      2.659767  
1 1 1 4  34 3  o 122.7463 1.191255  150.5346       2.919645  144.8636       3.992075  157.0564       4.281057  -4.953430      2.382510  
1 1 1 4  34 4  o 20.94839 1.931687  4.398684       0.8073219 4.540474       1.191398  4.278300       1.097790  0.6179352      3.863373  
1 1 1 4  34 5  o 65.13426 0.9587875 42.36363       1.247206  40.08540       1.710220  44.95163       1.822789  -3.729771      1.917575  
1 1 1 4  34 6  o 54.12762 1.122432  29.74891       1.187672  31.42394       1.551277  27.37642       1.846201  3.760143       2.244863  
1 1 1 4  34 7  o 80.62771 0.9694427 65.08181       1.562440  63.59145       2.166715  66.69636       2.255187  -1.919189      1.938885  
1 1 1 4  34 8  o 39.37188 1.303416  15.46566       1.022040  16.74475       1.533901  14.44440       1.370610  2.900795       2.606833  
1 1 1 4  34 9  o 37.87446 1.145468  14.49592       0.8585967 13.65874       1.289652  15.16240       1.150676  -2.001781      2.290936  
1 1 1 4  34 10 o 31.19466 1.197418  9.780527       0.7469189 9.514888       1.049227  10.05345       1.063524  -0.8610096     2.394836  
1 1 1 4  34 11 o 28.70209 1.307725  8.269136       0.7478785 7.851985       1.006306  8.783818       1.117774  -1.596506      2.615451  
1 1 1 4  34 12 o 18.64470 1.702067  3.530159       0.6336848 3.820995       0.9164500 3.263720       0.8771712 1.480227       3.404133  
1 1 1 4  34 13 o 39.75967 1.107290  15.94176       0.8739623 15.95458       1.318725  15.93172       1.167063  -0.1247406E-01 2.214581  
1 1 1 4  34 14 o 25.50554 1.643186  6.803729       0.7788390 7.106960       0.9541247 6.198203       1.348295  1.961002       3.286371  
1 1 1 4  34 15 o 33.81403 1.572888  11.86933       0.9156268 12.00397       1.059050  11.47076       1.822121  1.227173       3.145775  
1 1 1 4  34 16 o 23.78500 1.858691  4.634266       0.7196174 3.818566       0.7887362 8.685935       1.757858  -9.154552      3.717382  
1 1 1 4  34 17 o 27.90629 1.622490  8.206652       0.9026775 8.098554       1.225832  8.334708       1.334199  -0.2932625     3.244980  
1 1 1 4  34 18 o 25.87392 1.798013  7.309125       0.9235075 7.884790       1.272003  6.667447       1.342957  2.471132       3.596026  
1 1 1 4  34 19 o 16.43045 2.549343  3.542256       0.9785854 6.248730       1.396493  0.9310402      1.371698  13.38699       5.098687  
1 1 1 4  35 0  o 16.63582 3.802041  3.562998       1.134998  2.936101       1.606982  4.187013       1.603283  0.000000       0.000000  
1 1 1 4  35 1  o 97.68634 1.040176  95.53209       2.031896  96.59080       2.904995  94.51802       2.843074  1.058167       2.080352  
1 1 1 4  35 2  o 72.12625 0.9586231 52.09039       1.382613  51.05760       1.956702  53.12024       1.953922  -1.430008      1.917246  
1 1 1 4  35 3  o 160.7309 1.588361  257.9386       5.023205  266.7084       7.901556  251.9904       6.507443  4.464539       3.176721  
1 1 1 4  35 4  o 39.21620 1.154869  15.41797       0.9052922 14.78553       1.277184  16.05656       1.283391  -1.620094      2.309739  
1 1 1 4  35 5  o 34.69089 1.434250  11.89216       0.9600604 11.39805       1.197071  12.78296       1.607297  -1.957809      2.868500  
1 1 1 4  35 6  o 12.60577 2.901982  1.515036       0.8793893 0.7804844      1.275470  2.180587       1.214087  -3.654747      5.803965  
1 1 1 4  35 7  o 34.82583 1.443308  11.93204       0.9614002 13.09145       1.649387  11.33542       1.183180  2.456776       2.886616  
1 1 1 4  35 8  o 41.49009 1.081999  17.12346       0.8923258 18.60629       1.356413  15.99210       1.184803  3.130798       2.163997  
1 1 1 4  35 9  o 53.54461 0.9925221 28.70458       1.056172  29.35063       1.593198  28.19806       1.410703  1.053356       1.985044  
1 1 1 4  35 10 f 63.43647 0.9842544 40.48100       1.241497  40.92284       1.673271  39.93988       1.851746  0.8046761      1.968509  
1 1 1 4  35 11 o 52.66819 0.9838711 27.59337       1.022142  29.68815       1.605781  26.16644       1.325316  3.285351       1.967742  
1 1 1 4  35 12 o 33.65923 1.082499  11.41957       0.7282791 11.66375       1.019751  11.16538       1.040445  0.7453079      2.164999  
1 1 1 4  35 13 o 25.91709 1.623633  6.710061       0.8090425 6.338030       1.001735  7.407957       1.372017  -1.891272      3.247266  
1 1 1 4  35 14 o 47.16428 1.021298  22.50845       0.9592328 22.66766       1.300509  22.31850       1.420545  0.4164467      2.042597  
1 1 1 4  35 15 o 36.24187 1.536575  13.71837       0.9761999 14.00956       1.142552  12.93104       1.878714  1.902409       3.073149  
1 1 1 4  35 16 o 19.02426 2.302713  4.055089       0.8004881 4.104195       0.9840512 3.959029       1.376311  1.306709       4.605427  
1 1 1 4  35 17 o 8.347492 2.556958  0.2240862      0.7483447 0.3719685      0.8912878 -0.1292677     1.377732  -0.5071955     5.113915  
1 1 1 4  35 18 o 10.74082 2.880344  1.248859       0.8760030 0.7076997      1.222213  1.820530       1.256196  -2.582584      5.760688  
1 1 1 4  36 0  o 120.2682 1.665698  145.1248       4.002530  143.8509       5.600950  146.4544       5.721850  0.000000       0.000000  
1 1 1 4  36 1  o 12.92710 2.469738  1.674537       0.7216141 0.5881128      1.019421  2.765644       1.021616  -6.696422      4.939477  
1 1 1 4  36 2  o 19.62186 2.137764  4.108668       0.7799205 2.783316       1.133011  5.302233       1.075206  -6.695673      4.275528  
1 1 1 4  36 3  o 28.69483 1.909971  8.120132       1.040123  7.775179       1.270556  8.821014       1.811073  -1.755377      3.819942  
1 1 1 4  36 4  o 27.22741 2.077876  7.354807       1.082796  7.076913       1.336993  7.884501       1.845875  -1.411575      4.155753  
1 1 1 4  36 5  o 23.40973 1.754271  5.476932       0.8074054 5.753409       1.277262  5.292923       1.042007  0.9485683      3.508542  
1 1 1 4  36 6  o 38.77607 1.113971  15.09154       0.8629012 14.16723       1.213674  16.03640       1.227090  -2.408752      2.227942  
1 1 1 4  36 7  o 66.52187 1.016665  44.57117       1.343009  42.67075       1.997782  46.13816       1.814083  -2.625832      2.033330  
1 1 1 4  36 8  o 23.77143 1.619793  5.707242       0.7694083 5.929687       1.081905  5.479622       1.094419  0.9491444      3.239587  
1 1 1 4  36 9  o 51.09557 0.9270672 26.20282       0.9473388 26.30575       1.347122  26.10212       1.332477  0.1972084      1.854134  
1 1 1 4  36 10 o 36.39166 1.191776  13.18266       0.8588889 14.47125       1.331434  12.26424       1.124038  2.985321       2.383551  
1 1 1 4  36 11 o 12.68287 2.411946  1.717917       0.6641243 0.9083368      0.9565201 2.471445       0.9228137 -5.103964      4.823892  
1 1 1 4  36 12 o 42.03048 1.013768  17.78592       0.8517502 17.04040       1.186559  18.57846       1.223399  -1.819836      2.027537  
1 1 1 4  36 13 o 29.61236 1.261570  8.895801       0.7460718 9.373655       1.049970  8.408482       1.060316  1.633507       2.523140  
1 1 1 4  36 14 o 23.83509 1.575029  5.766950       0.7453020 6.397469       1.141709  5.298732       0.9838524 2.208944       3.150059  
1 1 1 4  36 15 o 39.06940 1.304541  15.81244       0.9505009 16.04583       1.158516  15.33182       1.662522  1.286449       2.609082  
1 1 1 4  36 16 o 10.23951 2.875241  0.9400142      0.8510722 1.173522       0.9927704 0.2926530      1.652993  0.4905586      5.750483  
1 1 1 4  36 17 o 10.47542 2.817867  1.181337       0.7841257 1.212531       0.9405802 1.110258       1.419809  -0.2934666     5.635734  
1 1 1 4  36 18 o 21.12703 2.241456  5.237528       0.9457375 5.393741       1.381272  5.099668       1.297595  0.4647617      4.482911  
1 1 1 4  37 0  o 33.12982 2.293997  11.54443       1.361263  11.86527       1.640242  10.83443       2.440025  0.000000       0.000000  
1 1 1 4  37 1  o 28.42816 1.499864  8.125476       0.8328685 8.157548       1.069942  8.076159       1.326775  0.1693668      2.999729  
1 1 1 4  37 2  o 69.21265 1.055558  47.88234       1.437730  47.28816       1.867637  48.74667       2.252540  -1.023972      2.111116  
1 1 1 4  37 3  o 55.53627 0.9549814 30.90658       1.060662  31.35939       1.507501  30.46268       1.492616  0.8061256      1.909963  
1 1 1 4  37 4  o 38.56734 1.096689  14.92045       0.8458511 14.82027       1.186769  15.02387       1.205888  -0.2619858     2.193379  
1 1 1 4  37 5  o 68.28159 1.001256  46.70541       1.350750  47.09526       2.082466  46.42226       1.774726  0.4615936      2.002512  
1 1 1 4  37 6  o 29.37300 1.398823  8.629848       0.8194160 9.507941       1.210107  7.886279       1.113562  2.746193       2.797646  
1 1 1 4  37 7  o 83.46542 1.120856  69.93330       1.870383  67.41086       2.613747  72.58060       2.677654  -3.088043      2.241711  
1 1 1 4  37 8  o 21.71648 1.879042  4.781335       0.8138418 4.313485       1.133499  5.279141       1.169224  -2.213612      3.758084  
1 1 1 4  37 9  o 37.82024 1.077551  14.39310       0.8143559 13.63617       1.146622  15.16352       1.156792  -2.017223      2.155103  
1 1 1 4  37 10 o 48.19804 0.9552308 23.35009       0.9203596 23.12671       1.279261  23.58978       1.325121  -0.4710884     1.910462  
1 1 1 4  37 11 o 29.01561 1.232181  8.462486       0.7132633 9.227530       1.052035  7.811668       0.9703255 2.415930       2.464362  
1 1 1 4  37 12 o 25.68017 1.418629  6.700738       0.7284917 6.874466       1.037088  6.531522       1.023532  0.6622314      2.837259  
1 1 1 4  37 13 o 29.62043 1.328480  8.714118       0.7767352 10.45682       1.223163  7.536485       1.005490  4.821917       2.656960  
1 1 1 4  37 14 o 25.54891 1.373117  6.630856       0.6983953 6.349035       0.9361190 6.984621       1.048822  -1.183674      2.746234  
1 1 1 4  37 15 o 27.68014 1.401154  7.825253       0.7677764 9.575199       1.162449  6.471156       1.022554  5.475067       2.802309  
1 1 1 4  37 16 o 25.58103 1.789530  6.648224       0.8333511 6.165672       0.9785210 7.922300       1.589996  -2.581930      3.579059  
1 1 1 4  37 17 o 9.527400 2.544231  0.6964102      0.8003998 1.762523       1.026370  -0.9581479     1.278626  4.796257       5.088461  
1 1 1 4  37 18 o 13.60767 3.672008  2.668484       1.177726  3.939714       2.921472  2.421806       1.286930  0.9369688      7.344017  
1 1 1 4  38 0  o 11.42252 3.629437  1.900189       0.9585790 2.592579       1.323915  1.137226       1.389750  0.000000       0.000000  
1 1 1 4  38 1  o 58.41334 0.9361369 34.17363       1.093191  33.22897       1.519375  35.18755       1.574088  -1.671638      1.872274  
1 1 1 4  38 2  o 24.68850 1.713768  6.124327       0.8434817 6.384130       1.253570  5.909391       1.140200  0.9425774      3.427536  
1 1 1 4  38 3  o 81.22270 1.501506  64.80081       2.116871  69.63952       4.289453  63.24294       2.433905  3.662086       3.003011  
1 1 1 4  38 4  o 79.62360 1.217547  64.28896       1.917638  58.44460       2.848521  69.13299       2.593308  -6.744255      2.435093  
1 1 1 4  38 5  o 41.60115 1.019881  17.35901       0.8484907 17.12502       1.190596  17.60051       1.209522  -0.5693893     2.039762  
1 1 1 4  38 6  o 80.59558 0.9598436 65.17139       1.547136  64.94363       2.178063  65.40335       2.198035  -0.2827454     1.919687  
1 1 1 4  38 7  o 90.71046 1.008797  82.63558       1.830165  82.38737       2.585266  82.88494       2.591232  -0.2733765     2.017595  
1 1 1 4  38 8  o 42.90335 1.023757  18.51134       0.8781949 18.75146       1.232375  18.26362       1.251762  0.5721626      2.047513  
1 1 1 4  38 9  o 11.73419 2.485408  1.420251       0.6398764 1.839016       0.9310744 1.045441       0.8808562 2.708691       4.970816  
1 1 1 4  38 10 o 40.47771 1.121178  16.64150       0.8996184 17.75218       1.221370  15.32432       1.330075  3.026520       2.242355  
1 1 1 4  38 11 o 19.55367 1.755927  3.918439       0.6829447 4.472689       0.9829345 3.401159       0.9495881 2.723223       3.511855  
1 1 1 4  38 12 o 52.57288 0.9717339 27.88468       1.021557  27.53070       1.428491  28.25519       1.461474  -0.6780624     1.943468  
1 1 1 4  38 13 o 53.76992 1.156487  29.33625       1.227798  29.45533       1.894382  29.24999       1.612272  0.5993652E-01  2.312975  
1 1 1 4  38 14 o 22.80342 1.621253  5.441170       0.7353280 4.784549       1.035253  6.109744       1.044632  -2.896749      3.242506  
1 1 1 4  38 15 o 40.26452 1.177749  16.72023       0.9324043 16.30246       1.446675  17.01708       1.219481  -1.074230      2.355499  
1 1 1 4  38 16 o 20.33733 2.240183  4.381824       0.8482533 3.897827       1.008621  5.551306       1.567846  -2.908611      4.480366  
1 1 1 4  38 17 o 20.82359 2.304857  5.133413       0.9205337 6.013756       1.295581  4.235875       1.308172  4.588423       4.609715  
1 1 1 4  39 0  o 17.75117 3.707363  3.852585       1.135085  3.379861       1.489841  4.506646       1.752447  0.000000       0.000000  
1 1 1 4  39 1  o 79.19689 1.034835  62.71909       1.621292  64.27002       2.496578  61.58800       2.132039  1.653595       2.069670  
1 1 1 4  39 2  f 21.58857 1.759605  4.703790       0.7597429 4.681701       1.073177  4.725983       1.075704  -0.1020889     3.519210  
1 1 1 4  39 3  o 70.94247 0.9316986 50.45385       1.321816  51.21822       1.884674  49.71388       1.854355  1.057167       1.863397  
1 1 1 4  39 4  o 64.97061 0.9198798 42.33525       1.195189  42.31343       1.678520  42.35767       1.702235  -0.3137207E-01 1.839760  
1 1 1 4  39 5  o 19.48605 1.732193  3.859623       0.6712039 4.235119       0.9360834 3.462273       0.9629375 1.989132       3.464387  
1 1 1 4  39 6  o 65.00092 0.9319357 42.37961       1.210815  44.42900       1.741184  40.46057       1.684905  3.043987       1.863871  
1 1 1 4  39 7  o 63.97523 0.9998630 41.21776       1.273461  42.01497       1.730011  40.27493       1.881390  1.387630       1.999726  
1 1 1 4  39 8  o 36.46159 1.145621  13.43628       0.8324667 13.91703       1.143440  12.89407       1.214327  1.420258       2.291242  
1 1 1 4  39 9  o 61.24641 0.9407017 37.71648       1.151993  37.56186       1.609449  37.87891       1.649621  -0.2504158     1.881403  
1 1 1 4  39 10 o 15.86552 2.538440  2.877895       0.7950534 3.489697       1.011999  1.891431       1.285037  5.087993       5.076880  
1 1 1 4  39 11 o 10.19355 2.523787  0.8705724      0.6542745 1.537835       1.005725  0.3809691      0.8614956 3.683702       5.047574  
1 1 1 4  39 12 o 20.91277 1.862355  4.528738       0.7655739 4.527968       0.9961032 4.529849       1.196645  0.1303177      3.724710  
1 1 1 4  39 13 o 22.92297 1.700359  5.420597       0.7735687 6.414412       1.135530  4.559973       1.056702  3.984505       3.400718  
1 1 1 4  39 14 f 22.32140 1.723168  5.295630       0.7629508 5.974851       1.071869  4.598093       1.086225  3.100630       3.446336  
1 1 1 4  39 15 o 46.22433 1.067365  21.91602       0.9857177 23.19138       1.400816  20.66512       1.387313  2.721222       2.134731  
1 1 1 4  39 16 o 29.62651 1.706115  9.603332       0.9974825 10.60334       1.362496  8.448286       1.464307  3.809982       3.412229  
1 1 1 4  39 17 f 13.22304 2.967986  2.437724       0.8936509 2.755406       1.235173  2.088767       1.294543  1.956927       5.935972  
1 1 1 4  40 0  o 71.65937 1.314814  51.60392       1.881383  52.61664       2.674473  50.61182       2.647092  0.000000       0.000000  
1 1 1 4  40 1  o 9.077106 2.500018  0.4237732      0.6846609 0.9553036      0.9645194 -0.1160763     0.9720381 2.574558       5.000036  
1 1 1 4  40 2  o 26.51316 1.365649  6.977453       0.7188942 8.185273       1.090692  6.049670       0.9559256 4.003738       2.731297  
1 1 1 4  40 3  o 62.05615 0.9238490 38.53682       1.144412  40.10383       1.682456  37.18751       1.561221  2.335018       1.847698  
1 1 1 4  40 4  o 26.74653 1.382041  7.254317       0.7347320 6.521727       1.058859  7.934587       1.020347  -2.649076      2.764082  
1 1 1 4  40 5  o 31.35957 1.204362  9.929353       0.7536736 9.435281       1.083846  10.39193       1.048732  -1.533009      2.408723  
1 1 1 4  40 6  o 45.08006 1.013586  20.34177       0.9116533 22.29712       1.339314  18.65361       1.244451  4.022800       2.027173  
1 1 1 4  40 7  o 17.39359 1.984354  3.096685       0.6891686 3.082709       0.9471194 3.112412       1.004689  -0.6092834E-01 3.968708  
1 1 1 4  40 8  o 18.74333 2.039590  3.731183       0.7263150 4.488355       1.004831  2.902744       1.051057  4.508863       4.079180  
1 1 1 4  40 9  o 38.05866 1.131449  14.62644       0.8611957 14.73409       1.215987  14.51810       1.219851  0.2849426      2.262897  
1 1 1 4  40 10 o 38.76507 1.081349  15.09068       0.8359305 14.17150       1.130671  16.19879       1.241447  -2.580887      2.162698  
1 1 1 4  40 11 o 20.84052 1.744059  4.482796       0.7265126 4.419301       1.040609  4.543175       1.014766  -0.3138103     3.488118  
1 1 1 4  40 12 o 19.23826 2.044017  3.863560       0.7846458 4.228984       1.128358  3.521396       1.091856  1.810665       4.088034  
1 1 1 4  40 13 o 26.19088 1.530248  7.148217       0.8005190 7.519283       1.128572  6.772467       1.135671  1.432447       3.060496  
1 1 1 4  40 14 o 11.09628 2.709485  1.389704       0.7315638 1.340109       1.024059  1.441392       1.045448  -0.3113356     5.418970  
1 1 1 4  40 15 o 47.47672 1.342655  23.65638       1.259401  23.99196       1.666092  23.20902       1.923673  1.142368       2.685309  
1 1 1 4  40 16 o 12.39553 2.955561  1.955823       0.8778874 1.419144       1.167958  2.652796       1.330999  -3.171134      5.911123  
1 1 1 4  41 0  o 26.73265 2.220566  7.746582       1.042163  4.954652       1.467719  10.58559       1.480042  0.000000       0.000000  
1 1 1 4  41 1  o 75.67825 1.009294  57.52014       1.518182  57.41124       2.036171  57.65649       2.278229  -0.1233368     2.018588  
1 1 1 4  41 2  o 38.56132 1.072265  14.87813       0.8244748 16.56786       1.211684  13.42128       1.125092  4.063950       2.144531  
1 1 1 4  41 3  o 44.33677 0.9782760 19.76295       0.8670673 20.08408       1.214270  19.42887       1.238526  0.7432480      1.956552  
1 1 1 4  41 4  o 27.76649 1.356197  7.843877       0.7422112 9.440704       1.055831  6.283929       1.043567  5.681484       2.712393  
1 1 1 4  41 5  o 53.42324 0.9441143 28.66404       1.007976  27.13381       1.403400  30.29457       1.448663  -2.949196      1.888229  
1 1 1 4  41 6  o 67.79019 0.9453183 46.19370       1.281576  46.72598       1.825660  45.67658       1.799467  0.7687836      1.890637  
1 1 1 4  41 7  o 36.73994 1.051506  13.44334       0.7679554 15.63707       1.152696  11.69253       1.029775  5.339066       2.103012  
1 1 1 4  41 8  o 47.60872 1.033923  22.84569       0.9842543 22.61814       1.374882  23.08489       1.409661  -0.4804802     2.067846  
1 1 1 4  41 9  o 46.99831 1.209340  22.30153       1.131612  22.81676       1.690378  21.88311       1.523312  0.9360695      2.418681  
1 1 1 4  41 10 o 40.86629 1.115715  16.90700       0.9103115 17.18483       1.331710  16.66331       1.247192  0.6024094      2.231430  
1 1 1 4  41 11 o 44.04018 1.046456  19.66808       0.9185109 19.20237       1.347102  20.07272       1.255655  -1.026310      2.092911  
1 1 1 4  41 12 o 28.46503 1.454308  8.385514       0.8262470 9.084114       1.179396  7.712171       1.157881  2.391689       2.908617  
1 1 1 4  41 13 o 11.67938 2.679721  1.510249       0.7393479 2.085031       1.066195  0.9778347      1.026147  3.296689       5.359442  
1 1 1 4  41 14 o 26.60647 1.978536  7.898559       1.024149  8.990865       1.377077  6.546639       1.532009  4.845200       3.957072  
1 1 1 4  41 15 o 8.855168 2.672447  0.4491063      0.8347740 0.5239769      1.121720  0.3561731      1.249724  0.1778984E-01  5.344894  
1 1 1 4  41 16 o 15.04518 3.472178  3.755704       1.390135  4.977847       1.756961  1.709891       2.273181  6.959121       6.944355  
1 1 1 4  42 0  o 37.65164 1.551657  14.38652       1.158601  14.83215       1.692115  13.99321       1.589696  0.000000       0.000000  
1 1 1 4  42 1  o 25.11436 1.527441  6.480437       0.7542886 7.085320       1.011283  5.721968       1.132416  2.749025       3.054883  
1 1 1 4  42 2  o 35.53558 1.126205  12.77506       0.7963105 13.46366       1.092216  11.99370       1.163464  2.084282       2.252411  
1 1 1 4  42 3  o 38.32777 1.066029  14.78963       0.8170952 15.07345       1.162196  14.51221       1.149011  0.7291489      2.132059  
1 1 1 4  42 4  o 26.41053 1.448261  7.058720       0.7646892 7.335637       1.095552  6.795630       1.067848  1.013809       2.896522  
1 1 1 4  42 5  o 38.44030 1.099654  14.81901       0.8431505 15.78761       1.249708  14.00974       1.142307  2.287086       2.199308  
1 1 1 4  42 6  o 38.13645 1.299886  14.57476       0.9551902 14.22597       1.193426  15.19644       1.593318  -1.151432      2.599771  
1 1 1 4  42 7  o 8.380563 2.525217  0.1262387      0.7093773 -0.8109662E-01 1.251523  0.2243810      0.8610538 0.8075576      5.050434  
1 1 1 4  42 8  o 8.655275 2.561974  0.2107365      0.7481866 0.4578238      0.9839139 -0.1280200     1.152061  0.6042624      5.123948  
1 1 1 4  42 9  o 9.457525 2.618470  0.6576582      0.7183133 0.6663356      1.042196  0.6498058      0.9914035 0.1786966      5.236940  
1 1 1 4  42 10 o 17.11107 2.398169  3.207728       0.7914163 3.363768       1.130341  3.057674       1.108444  0.8788128      4.796337  
1 1 1 4  42 11 o 38.06945 1.204531  14.78376       0.9162795 15.69647       1.318074  13.93019       1.274647  2.292770       2.409061  
1 1 1 4  42 12 o 40.46860 1.155999  16.81480       0.9346043 17.30854       1.305228  16.29527       1.338875  1.278378       2.311997  
1 1 1 4  42 13 o 50.51634 1.207929  26.48425       1.198676  27.18058       1.568852  25.50765       1.857951  1.926395       2.415858  
1 1 1 4  42 14 o 10.82551 2.846644  0.7322961      0.8841329 -0.3460188     1.097451  2.726367       1.492391  -6.944327      5.693287  
1 1 1 4  42 15 o 9.099551 2.832331  0.4689918      0.9508290 0.4813842      1.690315  0.4632554      1.150030  0.9927044      5.664663  
1 1 1 4  43 0  o 20.84444 2.663909  4.771109       1.001651  4.629323       1.335082  4.953686       1.515013  0.000000       0.000000  
1 1 1 4  43 1  o 21.33285 1.659540  4.597451       0.7036885 5.373515       1.035996  3.932718       0.9588115 3.350086       3.319080  
1 1 1 4  43 2  o 19.13444 2.221002  3.973393       0.7973710 2.948972       1.188870  4.810994       1.075013  -5.203064      4.442004  
1 1 1 4  43 3  o 56.27702 0.9739832 31.85652       1.096037  31.85652       1.534766  31.85652       1.565759  0.6587982E-02  1.947966  
1 1 1 4  43 4  o 75.30421 1.058057  56.91231       1.568517  55.96811       2.037555  58.28572       2.457410  -1.436897      2.116114  
1 1 1 4  43 5  o 62.43451 1.151522  39.34483       1.437375  40.84666       2.049252  37.89041       2.016651  2.357876       2.303043  
1 1 1 4  43 6  o 25.14066 1.803004  6.475055       0.9034877 6.338068       1.222889  6.639700       1.340667  -0.5387516     3.606009  
1 1 1 4  43 7  o 31.29092 1.419629  10.19825       0.8608884 8.723962       1.334016  11.25041       1.126966  -4.119020      2.839259  
1 1 1 4  43 8  o 27.38311 1.490294  7.685527       0.8150131 7.450521       1.172186  7.905461       1.133970  -0.8522091     2.980587  
1 1 1 4  43 9  o 44.98154 1.219573  20.57098       1.097151  20.43945       1.550885  20.70274       1.552329  -0.2919655     2.439146  
1 1 1 4  43 10 o 34.52795 1.225071  12.17572       0.8437937 11.81165       1.226737  12.50265       1.162464  -1.036861      2.450141  
1 1 1 4  43 11 o 29.66401 1.568435  9.118928       0.9255968 10.05032       1.399816  8.395332       1.233824  2.617641       3.136870  
1 1 1 4  43 12 o 9.183405 2.740625  0.4064784      0.8570331 0.1338594      1.131136  0.7739171      1.313195  -1.648770      5.481250  
1 1 1 4  43 13 o 29.05859 1.594725  9.177483       0.8912156 9.784317       1.143188  8.237227       1.423002  3.064939       3.189451  
1 1 1 4  43 14 o 26.71268 3.220773  8.608720       1.227902  10.00438       3.009205  8.329917       1.344967  -2.077066      6.441546  
1 1 1 4  44 0  f 20.32011 3.846456  6.554059       1.336761  7.925003       1.557992  2.728725       2.602496  0.000000       0.000000  
1 1 1 4  44 1  o 39.32306 1.330767  15.63894       1.046306  16.13577       1.497815  15.16544       1.462226  1.222565       2.661534  
1 1 1 4  44 2  o 64.49774 1.467424  42.21467       1.891760  44.25262       2.696961  40.24075       2.654254  3.094658       2.934847  
1 1 1 4  44 3  o 47.56914 1.099944  22.83718       1.025909  22.85033       1.326637  22.81762       1.618099  0.1191559      2.199888  
1 1 1 4  44 4  o 70.00635 0.9690065 49.36366       1.356375  48.62754       1.892004  50.14201       1.945522  -1.066803      1.938013  
1 1 1 4  44 5  o 18.95687 2.055622  3.784772       0.7557581 3.336008       1.082044  4.212223       1.056037  -2.583023      4.111245  
1 1 1 4  44 6  o 48.83632 1.138453  24.31026       1.093489  22.97019       1.680903  25.29347       1.439797  -2.462563      2.276906  
1 1 1 4  44 7  o 21.84446 1.968241  4.833981       0.8481022 3.994363       1.104033  6.042758       1.324690  -4.527292      3.936482  
1 1 1 4  44 8  o 24.77190 1.789696  6.464305       0.8649977 5.780328       1.334156  6.960323       1.136146  -2.521873      3.579392  
1 1 1 4  44 9  o 27.66296 1.694303  8.171820       0.9063439 6.495627       1.365191  9.492882       1.211973  -5.531116      3.388606  
1 1 1 4  44 10 o 46.86480 1.087862  22.43761       1.019306  22.70965       1.428898  22.15574       1.454475  0.6087036      2.175724  
1 1 1 4  44 11 o 29.16229 1.807947  9.120105       0.9969379 9.271802       1.234579  8.835793       1.690154  1.316050       3.615895  
1 1 1 4  44 12 o 38.04622 1.529373  15.11284       1.087065  14.76385       1.316254  15.86154       1.927936  -0.6419144     3.058747  
1 1 1 4  44 13 o 20.47755 2.734097  5.128261       1.092973  4.460535       1.525738  5.832108       1.566462  -3.582521      5.468194  
1 1 1 4  44 14 o 14.05022 3.460510  3.053178       1.193842  2.775184       1.630542  3.374412       1.752771  -1.144378      6.921019  
1 1 1 4  45 0  o 41.63119 1.536306  17.52016       1.265404  16.53593       1.690205  18.77538       1.908766  0.000000       0.000000  
1 1 1 4  45 1  o 96.41260 1.165389  94.37690       2.227308  90.73051       3.342977  97.28768       2.986807  -3.519760      2.330777  
1 1 1 4  45 2  o 54.75402 1.104800  30.09031       1.169727  31.00403       1.929519  29.55939       1.470816  1.174881       2.209600  
1 1 1 4  45 3  o 45.20608 1.127233  20.27922       0.9914598 22.18760       1.629960  19.15844       1.249117  3.228989       2.254466  
1 1 1 4  45 4  o 22.35286 2.700473  5.925641       1.014239  4.218977       1.868336  6.638725       1.207679  -6.221407      5.400947  
1 1 1 4  45 5  o 38.93448 1.392107  15.31037       1.074442  16.63700       1.656014  14.34593       1.411976  2.815235       2.784215  
1 1 1 4  45 6  o 52.35400 1.014783  27.64158       1.061506  26.32063       1.463679  29.10721       1.541753  -2.632809      2.029566  
1 1 1 4  45 7  o 47.47853 1.135389  22.93917       1.073643  23.83649       1.471799  21.91858       1.569639  2.063728       2.270778  
1 1 1 4  45 8  o 9.195405 2.630688  0.5359921      0.7461694 0.5456418      0.9925407 0.5234499      1.131559  -0.3348980     5.261377  
1 1 1 4  45 9  o 21.08197 1.888246  4.761612       0.7855093 3.918592       1.110541  5.605657       1.111215  -4.000402      3.776491  
1 1 1 4  45 10 o 17.83751 2.847456  3.713848       0.9278255 3.611134       1.107630  3.955450       1.698752  0.1913128      5.694911  
1 1 1 4  45 11 o 8.340086 2.625437  -0.1362050     0.8547047 -0.4436331     1.073743  0.3954719      1.412058  -2.262314      5.250875  
1 1 1 4  45 12 o 10.26162 3.030233  0.6441376      0.9883264 1.873191       1.739237  0.5798766E-01  1.201096  4.009026       6.060467  
1 1 1 4  45 13 o 22.52112 2.942849  6.705024       1.272372  7.623629       1.729331  5.620818       1.878753  5.315981       5.885697  
1 1 1 4  46 0  o 83.80095 1.716292  70.39468       2.716133  68.46436       3.319411  74.30576       4.724926  0.000000       0.000000  
1 1 1 4  46 1  o 31.34336 1.374537  9.996356       0.8614883 9.817997       1.204099  10.18340       1.233074  -0.5695724     2.749074  
1 1 1 4  46 2  o 34.12992 1.330823  11.99655       0.8933398 10.96758       1.357221  12.78312       1.186638  -2.741138      2.661646  
1 1 1 4  46 3  o 48.31452 1.050729  23.56802       1.014237  24.89503       1.473863  22.37436       1.397850  2.578484       2.101459  
1 1 1 4  46 4  o 15.89660 2.357861  2.731691       0.7258819 2.263929       0.9844793 3.288934       1.074525  -3.105537      4.715723  
1 1 1 4  46 5  o 31.74578 1.301317  10.26634       0.8258501 9.841505       1.156625  10.70819       1.179570  -1.353140      2.602634  
1 1 1 4  46 6  f 28.88830 1.396122  8.577808       0.8005734 9.525922       1.114897  7.568532       1.150296  3.406561       2.792243  
1 1 1 4  46 7  o 13.57995 2.737546  2.127049       0.7780327 2.095430       1.149022  2.153821       1.057301  -0.2264109     5.475092  
1 1 1 4  46 8  o 27.94623 1.552982  8.127026       0.8647150 9.169887       1.262404  7.205225       1.186871  3.438324       3.105964  
1 1 1 4  46 9  o 52.74535 1.215829  28.40721       1.250714  27.68862       1.592537  29.56380       2.020408  -1.423111      2.431658  
1 1 1 4  46 10 o 23.47516 2.021314  6.000416       0.9296341 5.930550       1.200237  6.105179       1.469725  0.5965614E-01  4.042629  
1 1 1 4  46 11 o 27.42083 2.603926  8.871655       1.427177  8.559239       2.016423  9.185257       2.020248  -1.132168      5.207852  
1 1 1 4  46 12 o 9.826102 2.992206  0.5726459      1.113897  1.289722       1.462705  -0.4173221     1.718640  2.020382       5.984411  
1 1 1 4  47 0  o 41.37929 1.619449  17.47264       1.329979  16.73919       1.826520  18.30039       1.940389  0.000000       0.000000  
1 1 1 4  47 1  o 77.32362 1.001595  60.43113       1.548787  61.08564       2.183740  59.76868       2.196952  0.8565521      2.003189  
1 1 1 4  47 2  o 25.93683 1.446285  6.906067       0.7468202 7.604111       1.051961  6.196758       1.060416  2.717817       2.892569  
1 1 1 4  47 3  o 18.14406 2.103211  3.502709       0.7411551 3.477036       1.111024  3.523296       0.9948717 -0.4988880     4.206423  
1 1 1 4  47 4  o 28.82627 1.371252  8.472803       0.7880845 8.415407       1.071504  8.540439       1.163171  -0.1690483     2.742504  
1 1 1 4  47 5  o 37.47761 1.161218  14.32099       0.8686407 14.00139       1.260447  14.61007       1.198761  -0.8466072     2.322436  
1 1 1 4  47 6  o 26.91896 1.503154  7.382871       0.8015492 8.856538       1.231002  6.298189       1.056113  4.594769       3.006307  
1 1 1 4  47 7  o 7.729879 2.411540  -0.7896852E-01 0.7312875 -0.2943504     1.084169  0.1008237      0.9905533 -0.3658061     4.823079  
1 1 1 4  47 8  f 34.00356 1.485664  12.26527       0.9881090 13.26542       1.306943  10.93078       1.509673  3.644562       2.971328  
1 1 1 4  47 9  o 14.75983 3.074703  2.621462       0.9820034 1.859535       1.283031  3.699064       1.525842  -4.700139      6.149405  
1 1 1 4  47 10 o 13.30538 3.552728  2.321734       1.313966  2.943466       1.877109  1.724402       1.839908  2.335112       7.105455  
1 1 1 4  47 11 o 18.30574 3.263964  4.623174       1.214071  5.303447       1.599174  3.697650       1.865296  4.665590       6.527928  
1 1 1 4  47 12 o 12.15807 3.582622  1.773762       1.709847  3.947984       2.198727  -1.552820      2.719683  5.667510       7.165244  
1 1 1 4  48 0  o 71.37888 1.387813  51.56900       1.974293  50.72641       2.702306  52.53365       2.891422  0.000000       0.000000  
1 1 1 4  48 1  o 13.37943 2.552917  1.983978       0.7230881 2.656005       1.027861  1.325533       1.017421  4.250138       5.105834  
1 1 1 4  48 2  o 11.56802 2.735678  1.435989       0.7442015 1.410978       1.031613  1.463129       1.074623  -0.1953058     5.471357  
1 1 1 4  48 3  o 31.88745 1.349393  10.43177       0.8594752 9.919293       1.180218  11.01041       1.254107  -1.655752      2.698786  
1 1 1 4  48 4  o 43.96874 1.142378  19.76425       1.004205  19.95469       1.405495  19.56565       1.435294  0.4627686      2.284755  
1 1 1 4  48 5  o 58.36348 1.033422  34.74426       1.206211  35.23629       1.708796  34.25562       1.702900  0.8361053      2.066843  
1 1 1 4  48 6  o 18.64763 2.541327  4.086115       0.8814772 4.440973       1.107244  3.472010       1.456591  3.462099       5.082655  
1 1 1 4  48 7  o 20.54836 2.455610  4.784452       0.9867592 4.440717       1.326190  5.210766       1.476924  -1.884443      4.911221  
1 1 1 4  48 8  o 10.16023 3.100588  0.6248200      1.098263  0.8924356      1.281116  -0.1171015     2.133102  -0.1513433     6.201175  
1 1 1 4  48 9  o 34.82372 3.312490  0.000000       0.000000  ?              ?         13.88798       2.307065  ?              ?         
1 1 1 4  48 10 o 9.537525 3.120476  -0.4999685     1.279145  -1.132051      1.534555  0.9391550      2.315499  -3.655785      6.240952  
1 1 1 4  48 11 o 10.13108 3.331116  0.6894161E-01  1.706004  1.424897       2.272399  -1.682428      2.582562  2.165296       6.662233  
1 1 1 4  49 0  o 22.18585 3.439996  6.207077       1.279679  7.022948       1.663580  5.024648       2.002721  0.000000       0.000000  
1 1 1 4  49 1  f 27.48746 1.735853  7.861269       0.9318709 8.438519       1.507825  7.504527       1.185346  1.345592       3.471706  
1 1 1 4  49 2  o 13.16514 2.717028  2.035007       0.7606934 1.917411       1.092814  2.145547       1.059524  -0.7382698     5.434056  
1 1 1 4  49 3  o 35.72598 1.269449  13.15247       0.9061316 12.36366       1.266654  13.97928       1.296805  -2.235085      2.538899  
1 1 1 4  49 4  o 66.88953 1.140906  45.71498       1.483131  45.32339       1.884516  46.35220       2.404007  -0.3780441     2.281811  
1 1 1 4  49 5  o 34.01895 1.841469  12.52637       1.216808  13.09307       1.572687  11.68116       1.920659  2.537991       3.682939  
1 1 1 4  49 6  o 12.39615 2.974489  1.686674       1.109589  3.144421       1.377954  -1.001814      1.871319  7.030203       5.948978  
1 1 1 4  49 7  o 9.829792 3.017600  0.3002876      1.191953  1.303900       1.449100  -1.799265      2.095939  2.473330       6.035199  
1 1 1 4  49 8  o 15.85387 3.749937  3.988709       1.514650  4.596937       1.742339  2.107088       3.064543  5.305053       7.499874  
1 1 1 4  49 9  o 14.66781 3.937408  3.269739       1.587730  2.984442       2.145109  3.615408       2.361189  -0.9606304     7.874817  
1 1 1 4  49 10 o 9.343113 3.094403  -0.1998385     1.461225  0.3925366      1.848537  -1.186511      2.385703  0.5702124      6.188806  
1 1 1 4  50 0  o 9.211091 5.342653  1.367235       1.578728  1.367235       1.578728  1.367235       1.578728  0.000000       0.000000  
1 1 1 4  50 1  o 24.90289 2.729926  7.597373       1.160495  5.953895       2.054866  8.367041       1.406219  -6.336637      5.459851  
1 1 1 4  50 2  o 24.02852 2.558324  6.769732       1.082469  7.104554       1.315566  6.067867       1.904725  3.543726       5.116649  
1 1 1 4  50 3  o 37.79697 1.807893  16.18404       1.273316  19.32403       1.656483  11.64908       1.990718  10.59518       3.615786  
1 1 1 4  50 4  o 26.56635 2.281467  8.169957       1.104127  8.804999       1.355981  6.920451       1.902048  4.473476       4.562935  
1 1 1 4  50 5  o 8.313787 2.742554  -0.8294778     1.133604  -0.3345910     1.569100  -1.369791      1.639534  0.8930516      5.485107  
1 1 1 4  50 6  o 10.49775 3.479405  -0.1958652     1.428557  -0.4161046     1.580751  0.7854909      3.336792  -3.717788      6.958811  
1 1 1 4  50 7  o 26.98317 3.201615  9.325686       1.655289  8.900248       2.139117  9.960651       2.613312  -0.3691292E-01 6.403231  
1 1 1 4  50 8  o 9.997128 4.643338  0.000000       0.000000  ?              ?         -0.1141101     2.233577  ?              ?         
1 1 1 4  50 9  o 9.794147 4.586928  0.000000       0.000000  ?              ?         0.2224288E-01  2.247535  ?              ?         
1 1 1 4  51 0  o 11.05172 4.643346  2.212516       1.716784  1.885738       2.202540  2.718402       2.740466  0.000000       0.000000  
1 1 1 4  51 1  o 17.99142 3.497243  4.338999       1.298931  4.498578       1.811536  4.170134       1.863496  0.9106274      6.994486  
1 1 1 4  51 2  o 27.07995 3.276182  9.266998       1.620071  9.214017       1.995348  9.369489       2.775223  2.330038       6.552363  
1 1 1 4  51 3  o 22.52801 6.157053  0.000000       0.000000  ?              ?         7.884851       2.852382  ?              ?         
1 1 1 4  51 4  o 10.74145 4.815494  0.000000       0.000000  ?              ?         0.4764630      2.144824  ?              ?         
1 1 1 4  51 5  o 11.22345 5.125305  0.000000       0.000000  ?              ?         0.5294415      2.586105  ?              ?         
1 1 1 4  51 6  o 13.70494 5.231153  0.000000       0.000000  ?              ?         2.651997       1.998313  ?              ?         
1 1 1 4  51 7  o 9.465510 4.553420  0.000000       0.000000  ?              ?         -0.9865770     2.527459  ?              ?         
1 1 1 4  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  52 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  52 3  o 18.43250 6.035683  0.000000       0.000000  ?              ?         5.565174       2.563121  ?              ?         
1 1 1 4  52 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  52 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  52 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  53 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  53 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  53 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  53 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4  53 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5  0  1  o 89.28906 1.089041  79.31425       1.934105  75.16616       2.586650  84.57423       2.912774  0.000000       0.000000  
1 1 1 5  0  2  o 80.64229 1.234975  63.90160       1.822882  62.15132       2.164391  68.17274       3.381077  0.000000       0.000000  
1 1 1 5  0  3  o 32.46173 1.339922  10.59192       0.8667164 10.59192       0.8667164 10.59192       0.8667164 0.000000       0.000000  
1 1 1 5  0  4  o 70.46301 1.125706  49.29307       1.456228  50.84038       2.665004  48.63441       1.738765  0.000000       0.000000  
1 1 1 5  0  5  o 113.0764 1.388172  127.7833       3.133590  123.7484       4.306327  132.3242       4.568405  0.000000       0.000000  
1 1 1 5  0  6  o 83.76907 1.330523  70.43185       2.108689  70.74191       2.597950  69.83316       3.610086  0.000000       0.000000  
1 1 1 5  0  7  o 280.8432 3.378111  784.8450       18.86698  838.1305       28.45019  743.0156       25.20708  0.000000       0.000000  
1 1 1 5  0  8  o 518.9518 7.628829  2712.735       74.96334  2732.986       92.50478  2673.996       127.9424  0.000000       0.000000  
1 1 1 5  0  9  o 130.9209 2.035089  167.9741       4.858262  180.7612       9.087909  162.8576       5.748643  0.000000       0.000000  
1 1 1 5  0  10 o 104.1380 1.673453  109.6695       3.346048  112.5182       4.218990  104.8397       5.493414  0.000000       0.000000  
1 1 1 5  0  11 o 77.58785 1.519616  60.27783       2.356057  60.27783       2.356057  60.27783       2.356057  0.000000       0.000000  
1 1 1 5  0  12 o 74.21495 1.360014  54.93372       1.979010  53.79972       2.553768  56.63846       3.131153  0.000000       0.000000  
1 1 1 5  0  13 o 87.40247 1.269370  76.63018       2.213304  74.03490       3.186032  79.05083       3.076983  0.000000       0.000000  
1 1 1 5  0  14 o 30.04448 1.756712  8.106466       0.9683121 12.63243       1.830305  6.347351       1.141078  0.000000       0.000000  
1 1 1 5  0  15 o 256.7935 3.881080  653.4556       18.42611  635.5645       22.05749  694.7749       33.52079  0.000000       0.000000  
1 1 1 5  0  16 o 147.0711 2.393658  221.0214       6.595925  206.5898       11.32451  228.4308       8.114378  0.000000       0.000000  
1 1 1 5  0  17 o 41.90282 1.983806  19.64454       1.366343  14.57513       2.636575  21.50585       1.597606  0.000000       0.000000  
1 1 1 5  0  18 o 47.83719 1.668968  23.22061       1.366677  22.99556       2.742000  23.29500       1.576449  0.000000       0.000000  
1 1 1 5  0  19 o 55.75203 2.084902  31.27185       2.208050  33.09573       3.761480  30.31293       2.727419  0.000000       0.000000  
1 1 1 5  0  20 o 48.39160 2.194082  21.39451       1.301126  27.62897       4.182591  20.72655       1.369054  0.000000       0.000000  
1 1 1 5  0  21 f 10.64175 4.599234  1.276536       1.191319  1.445821       4.038057  1.260397       1.246815  0.000000       0.000000  
1 1 1 5  0  22 f 14.80116 3.321278  4.083743       0.8638806 -1.421813      3.602423  4.419666       0.8898454 0.000000       0.000000  
1 1 1 5  0  23 o 15.59672 4.121106  3.133059       0.8882679 4.355158       2.753481  2.991103       0.9384407 0.000000       0.000000  
1 1 1 5  0  24 o 24.16664 4.001530  8.849298       1.166463  6.202191       2.828279  9.391850       1.280434  0.000000       0.000000  
1 1 1 5  1  0  o 1122.292 19.34925  12831.81       433.5416  12611.48       602.3412  13068.64       624.4998  0.000000       0.000000  
1 1 1 5  1  1  o 682.9595 5.790828  4677.607       79.07875  4739.515       113.3484  4618.899       110.3792  8.773376       11.58166  
1 1 1 5  1  2  o 256.6933 2.511767  659.0787       12.89151  668.6599       18.49543  650.0260       17.97825  3.625244       5.023534  
1 1 1 5  1  3  o 158.5845 1.910019  251.5908       6.057973  251.3158       8.555314  251.8674       8.579272  -0.1737366     3.820039  
1 1 1 5  1  4  o 34.72475 0.6306033 12.09181       0.4220170 11.93495       0.6949176 12.18346       0.5311867 -0.3584404     1.261207  
1 1 1 5  1  5  o 255.8158 2.245304  652.8989       11.07046  662.8470       18.35375  647.2098       13.87951  2.993652       4.490607  
1 1 1 5  1  6  o 314.5454 3.081623  990.5089       19.38505  997.4980       27.59737  983.7020       27.23543  2.187988       6.163246  
1 1 1 5  1  7  o 478.0436 3.845209  2287.006       36.49720  2301.517       55.10910  2275.669       48.71075  2.618317       7.690417  
1 1 1 5  1  8  o 344.1575 3.157565  1183.169       21.44996  1171.411       28.08467  1199.628       33.23000  -4.049286      6.315131  
1 1 1 5  1  9  o 119.3701 1.157443  142.5416       2.734110  142.3364       4.179924  142.6950       3.614617  -0.1530304     2.314886  
1 1 1 5  1  10 o 323.1867 2.973245  1043.725       18.95940  1030.949       24.78516  1061.745       29.43595  -4.669739      5.946491  
1 1 1 5  1  11 o 157.5266 1.487395  247.2564       4.616735  242.3988       6.005011  254.2776       7.219595  -3.752243      2.974789  
1 1 1 5  1  12 o 93.65616 1.218272  87.40411       2.219697  86.23025       2.819051  89.31924       3.600756  -1.635460      2.436545  
1 1 1 5  1  13 o 76.58291 0.8427288 58.63430       1.290002  59.71512       1.862958  57.63867       1.788026  1.354462       1.685458  
1 1 1 5  1  14 o 203.3212 1.913970  413.9947       7.687644  411.4416       10.09710  417.5159       11.85787  -1.409241      3.827941  
1 1 1 5  1  15 o 150.4756 1.585446  226.9084       4.770950  229.4687       6.805840  224.4346       6.689938  1.666855       3.170893  
1 1 1 5  1  16 o 27.13517 1.647423  7.385001       0.8923128 6.776010       1.246893  8.024261       1.277506  -2.297941      3.294845  
1 1 1 5  1  17 o 83.95341 0.9167740 69.81361       1.504295  74.21558       2.429478  67.07661       1.915701  4.218452       1.833548  
1 1 1 5  1  18 o 102.1337 1.071782  104.7163       2.134538  104.4760       3.420182  104.8695       2.731881  -0.2704697     2.143563  
1 1 1 5  1  19 o 46.14375 1.293295  21.59572       1.155311  21.96686       1.467956  20.99171       1.872686  1.151611       2.586591  
1 1 1 5  1  20 o 25.44225 1.643052  6.063247       0.7254403 7.664338       1.520185  5.591125       0.8254973 3.821487       3.286105  
1 1 1 5  1  21 o 32.55049 1.418695  10.77649       0.9234909 10.61532       1.307132  10.93710       1.304897  -0.4952202     2.837390  
1 1 1 5  1  22 o 8.906185 2.390741  0.6265048      0.5985237 0.8807813      0.8296427 0.3505396      0.8643015 1.391512       4.781482  
1 1 1 5  1  23 o 15.64972 2.023090  2.692141       0.6182772 2.443907       0.8707426 2.944562       0.8780553 -1.851444      4.046181  
1 1 1 5  1  24 o 38.22835 1.196537  14.88200       0.9035333 13.18128       1.170841  17.38593       1.420668  -5.198574      2.393074  
1 1 1 5  2  0  o 483.9977 5.811800  2328.421       55.84610  2514.624       85.10810  2187.625       74.00700  0.000000       0.000000  
1 1 1 5  2  1  o 456.3539 3.988845  2088.390       35.32537  2074.511       57.27356  2096.911       44.87853  -2.617004      7.977691  
1 1 1 5  2  2  o 368.3074 3.369980  1358.753       24.59611  1363.748       32.67982  1352.227       37.35551  1.617371       6.739961  
1 1 1 5  2  3  o 349.5731 4.190864  1224.157       29.29481  1238.997       41.92056  1209.993       40.95455  4.132263       8.381727  
1 1 1 5  2  4  o 129.9908 1.115544  168.8345       2.897876  173.2641       4.201375  164.8147       4.002300  3.248642       2.231089  
1 1 1 5  2  5  o 108.5419 1.022004  117.9656       2.200108  116.8051       3.325108  118.8694       2.934263  -0.9533539     2.044009  
1 1 1 5  2  6  f 99.61287 1.021570  99.10445       2.033307  102.2537       2.954809  96.27189       2.802308  3.001839       2.043140  
1 1 1 5  2  7  o 99.84895 0.9224638 99.49069       1.780063  100.5403       2.928852  98.87592       2.241570  0.8312759      1.844928  
1 1 1 5  2  8  o 428.3152 3.924036  1835.096       33.22158  1849.705       51.12940  1824.422       43.70435  2.860352       7.848073  
1 1 1 5  2  9  o 237.2129 2.477432  563.3765       11.09138  562.3679       19.16589  563.8845       13.60008  -0.3790436     4.954864  
1 1 1 5  2  10 o 281.4775 2.591550  791.2607       14.38827  805.7890       22.36946  781.0087       18.79125  4.337097       5.183101  
1 1 1 5  2  11 o 196.0645 1.821519  384.5295       7.062304  386.4458       10.84351  383.1179       9.306878  0.8202972      3.643037  
1 1 1 5  2  12 o 216.0168 1.860583  466.3349       8.026252  450.7642       10.99136  484.1233       11.74805  -7.701035      3.721166  
1 1 1 5  2  13 o 59.52091 0.7926246 35.42183       0.9433035 34.39470       1.318045  36.50034       1.350616  -1.768314      1.585249  
1 1 1 5  2  14 o 117.7613 1.177647  138.4453       2.742607  141.2423       4.224610  136.4076       3.605752  2.034409       2.355293  
1 1 1 5  2  15 o 69.95290 1.329566  49.34705       1.846964  54.64508       2.569739  43.68557       2.656421  7.837181       2.659132  
1 1 1 5  2  16 o 79.04752 1.092860  61.66435       1.652326  65.64825       2.817986  59.57702       2.039764  3.804138       2.185719  
1 1 1 5  2  17 o 89.43178 0.9847606 80.45552       1.728877  78.43388       2.700242  81.86004       2.250697  -1.947144      1.969521  
1 1 1 5  2  18 o 61.59422 0.9196125 37.61758       1.103249  39.83443       1.797735  36.27829       1.397317  2.847649       1.839225  
1 1 1 5  2  19 o 10.70864 2.871070  0.1615290      0.9023054 -0.8274881     1.110443  2.083604       1.548031  -7.052560      5.742141  
1 1 1 5  2  20 o 9.925903 2.643698  0.8265742      0.6714704 0.2173508      1.384228  1.014043       0.7678633 -0.2763605     5.287395  
1 1 1 5  2  21 o 56.30394 1.111624  32.03650       1.251662  31.45730       1.765525  32.62176       1.774745  -1.030975      2.223248  
1 1 1 5  2  22 o 25.25577 1.294237  6.512491       0.6526545 6.775454       0.9105485 6.234645       0.9359620 1.084129       2.588473  
1 1 1 5  2  23 o 7.811038 2.312371  0.2704267      0.6063209 0.1707892      0.8362037 0.3808848      0.8804401 -0.6319127     4.624741  
1 1 1 5  2  24 o 14.06000 2.516188  2.360409       0.7180161 1.751235       0.9599640 3.133981       1.081770  -4.234816      5.032375  
1 1 1 5  3  0  o 687.1094 9.487348  4802.094       114.7813  4628.004       221.1839  4866.254       134.2769  0.000000       0.000000  
1 1 1 5  3  1  o 275.0489 2.331319  756.6112       12.82074  768.4673       18.40394  745.4325       17.87036  4.183258       4.662638  
1 1 1 5  3  2  o 158.8386 1.354345  252.3101       4.301986  250.2589       6.031340  254.4344       6.137913  -1.313889      2.708689  
1 1 1 5  3  3  f 404.8162 3.962518  1641.846       32.08156  1638.345       45.26095  1645.381       45.48021  -0.8652649     7.925035  
1 1 1 5  3  4  o 145.8853 1.352963  213.3763       3.920312  217.2214       5.270814  208.6155       5.864977  2.954727       2.705926  
1 1 1 5  3  5  o 204.1438 1.880690  416.7292       7.594288  418.7818       11.64791  415.2115       10.01581  0.8562622      3.761381  
1 1 1 5  3  6  o 261.5926 2.568105  684.2528       13.42672  669.3514       18.57732  700.5497       19.42772  -5.953674      5.136209  
1 1 1 5  3  7  o 300.4407 2.638222  901.9180       15.31652  908.3442       25.18668  898.1471       19.29409  1.645660       5.276444  
1 1 1 5  3  8  o 186.2146 1.727550  346.6680       6.363718  348.0985       9.755859  345.6087       8.395812  0.6610413      3.455100  
1 1 1 5  3  9  o 132.1298 1.915674  0.000000       0.000000  ?              ?         174.6228       5.062353  ?              ?         
1 1 1 5  3  10 o 63.79524 0.8633261 40.65656       1.098809  40.05197       1.497216  41.36235       1.617664  -1.026264      1.726652  
1 1 1 5  3  11 o 286.4190 2.636153  821.9120       14.94046  822.8439       22.86008  821.2170       19.73969  0.1989441      5.272305  
1 1 1 5  3  12 o 109.0898 1.083304  118.8594       2.335804  120.3827       3.599807  117.7517       3.069791  1.197556       2.166608  
1 1 1 5  3  13 o 44.28061 0.7857497 19.24819       0.6667159 20.87061       1.136777  18.39749       0.8231551 2.787693       1.571499  
1 1 1 5  3  14 o 91.99576 1.081775  84.77859       1.988395  86.94933       2.774375  82.48591       2.851229  2.427986       2.163550  
1 1 1 5  3  15 o 44.54057 1.090989  19.73970       0.9667761 18.75909       1.290729  20.99295       1.459169  -2.501709      2.181978  
1 1 1 5  3  16 o 112.0967 1.701421  0.000000       0.000000  ?              ?         125.8812       3.814475  ?              ?         
1 1 1 5  3  17 o 77.08174 0.9282055 59.33189       1.396677  60.39322       2.242370  58.65917       1.785266  1.093628       1.856411  
1 1 1 5  3  18 f 20.33617 1.631038  4.325371       0.6369645 3.441162       0.9834871 4.964248       0.8359880 -3.769781      3.262076  
1 1 1 5  3  19 o 31.10634 1.679616  10.01075       0.9761056 10.39547       1.198587  9.253128       1.681980  1.981459       3.359232  
1 1 1 5  3  20 o 46.77493 1.158223  21.02167       0.9538916 24.29772       1.921456  19.95020       1.098865  4.434956       2.316446  
1 1 1 5  3  21 o 66.37342 1.004349  44.60680       1.311128  43.51644       2.034925  45.38075       1.714426  -1.503784      2.008698  
1 1 1 5  3  22 o 52.89031 1.050552  28.32587       1.071970  28.41235       1.766061  28.27543       1.348874  -0.5466080E-01 2.101104  
1 1 1 5  3  23 o 10.28294 2.751139  0.9978732      0.7255141 1.336140       1.323199  0.8524621      0.8675497 1.905039       5.502279  
1 1 1 5  3  24 o 21.10697 1.544620  4.890259       0.6257605 5.427660       0.8133211 4.110628       0.9796178 3.368877       3.089240  
1 1 1 5  4  0  o 72.47822 1.290087  52.58192       1.866158  54.01498       2.700752  51.27255       2.581573  0.000000       0.000000  
1 1 1 5  4  1  o 249.4926 2.187762  622.3696       10.56240  621.2491       13.34056  624.2519       17.29147  -0.5728455     4.375525  
1 1 1 5  4  2  o 626.7905 5.313685  3939.874       66.60992  3923.834       93.82842  3956.169       94.57735  -2.565063      10.62737  
1 1 1 5  4  3  o 427.1106 3.620701  1827.340       30.92816  1834.940       43.90887  1819.856       43.57114  1.760101       7.241401  
1 1 1 5  4  4  f 171.2589 1.689092  293.1555       5.780851  286.3441       7.985646  300.6549       8.379268  -4.173630      3.378184  
1 1 1 5  4  5  o 299.1850 2.541848  895.8752       15.20739  886.8990       21.28645  905.2322       21.73351  -3.057434      5.083695  
1 1 1 5  4  6  o 288.9543 2.535663  834.5240       14.16405  839.7232       23.26311  831.4612       17.85515  1.372253       5.071325  
1 1 1 5  4  7  o 368.6723 3.376067  1362.471       24.68976  1345.637       37.26071  1375.648       32.96566  -4.116669      6.752134  
1 1 1 5  4  8  o 213.6309 2.158087  458.3573       8.376236  452.3208       15.47550  460.8585       9.961551  -2.036591      4.316175  
1 1 1 5  4  9  o 222.4624 2.450089  497.3805       10.76737  481.1127       16.42666  509.6356       14.25742  -6.434448      4.900179  
1 1 1 5  4  10 o 164.0925 1.547186  268.2273       5.001458  276.0521       7.828064  262.8297       6.501492  4.013580       3.094371  
1 1 1 5  4  11 o 310.8649 2.862454  967.5625       17.58127  976.3952       27.10758  961.1494       23.09824  2.330200       5.724909  
1 1 1 5  4  12 o 168.6651 1.516694  284.3352       4.950810  286.4040       8.110768  283.1067       6.250285  0.9361115      3.033388  
1 1 1 5  4  13 o 59.98775 0.9233035 36.10223       1.051927  35.68456       1.789994  36.32257       1.300119  -0.5408211     1.846607  
1 1 1 5  4  14 o 110.6752 1.070695  122.5036       2.297809  122.9473       3.742781  122.2352       2.910978  0.2992783      2.141389  
1 1 1 5  4  15 o 78.80981 0.9511739 61.69947       1.481142  65.04273       2.304538  59.34652       1.933323  3.602356       1.902348  
1 1 1 5  4  16 o 113.8341 1.537361  0.000000       0.000000  ?              ?         129.7770       3.500081  ?              ?         
1 1 1 5  4  17 o 124.0062 1.209917  154.1476       2.919268  154.7710       4.712925  153.7595       3.718520  0.3160019      2.419834  
1 1 1 5  4  18 o 47.83047 0.9240101 22.97236       0.8691083 22.74444       1.355550  23.13145       1.132511  -0.4268608     1.848020  
1 1 1 5  4  19 o 35.22936 1.162610  12.53234       0.8118326 12.22725       1.224794  12.77142       1.084224  -0.8021660     2.325221  
1 1 1 5  4  20 o 14.18069 2.614735  1.916030       0.6784893 2.854730       1.346974  1.596877       0.7854064 3.936870       5.229470  
1 1 1 5  4  21 o 63.13494 0.9970582 40.21200       1.234652  40.27363       1.946596  40.17052       1.596976  -0.3034973E-01 1.994116  
1 1 1 5  4  22 o 9.906960 2.691131  0.7989699      0.7101491 0.9318687      1.259819  0.7370745      0.8597597 1.403034       5.382261  
1 1 1 5  4  23 o 7.329049 2.263865  -0.1019940     0.6454300 0.3864326      0.9263949 -0.5627187     0.8997404 1.859673       4.527729  
1 1 1 5  4  24 o 10.14195 2.754291  0.9417218      0.7975026 0.3794228      1.031037  1.779204       1.258284  -3.558491      5.508583  
1 1 1 5  5  0  o 45.72748 0.9432786 20.95123       0.8599198 20.72146       1.183204  21.20845       1.251925  0.000000       0.000000  
1 1 1 5  5  1  o 138.5671 1.283370  192.1882       3.524554  193.1625       4.686690  190.9199       5.347335  0.8121643      2.566740  
1 1 1 5  5  2  o 230.0551 2.312821  529.0740       9.604806  528.4238       11.35372  530.7104       18.01201  -0.4382935     4.625641  
1 1 1 5  5  3  o 519.8589 4.410883  2710.057       45.85579  2732.767       65.42741  2688.131       64.28738  4.266541       8.821766  
1 1 1 5  5  4  o 180.0242 1.984397  325.5765       7.045056  332.1564       9.274981  316.6026       10.83158  4.340897       3.968794  
1 1 1 5  5  5  o 214.6433 1.829932  460.6618       7.851685  452.4149       10.89758  469.5644       11.32252  -3.990738      3.659864  
1 1 1 5  5  6  o 256.2786 2.179736  657.0952       11.17169  652.8293       15.69385  661.4775       15.90663  -1.685379      4.359473  
1 1 1 5  5  7  o 313.9227 2.877934  987.6022       17.92519  974.6968       27.02065  997.7457       23.95535  -3.698303      5.755867  
1 1 1 5  5  8  f 118.9765 1.385774  141.1382       3.229696  143.7472       5.134752  139.4304       4.154403  1.809464       2.771549  
1 1 1 5  5  9  o 139.6639 1.420795  193.5805       3.943481  182.4145       5.234514  208.2351       5.996715  -9.238861      2.841591  
1 1 1 5  5  10 o 173.5461 1.619031  301.7733       5.571361  298.1025       8.423422  304.6280       7.428264  -1.892563      3.238061  
1 1 1 5  5  11 o 211.6629 1.876439  449.3002       7.715142  445.1389       12.46890  451.8817       9.820860  -1.647217      3.752877  
1 1 1 5  5  12 o 112.2152 1.061314  126.1470       2.314873  125.2822       3.737706  126.6852       2.948391  -0.6376343     2.122627  
1 1 1 5  5  13 o 189.8689 1.699090  361.5497       6.262725  359.3179       10.14557  362.9237       7.960365  -1.026794      3.398180  
1 1 1 5  5  14 o 125.6360 1.180614  158.3337       2.887992  156.5480       4.636471  159.4657       3.691609  -1.189560      2.361227  
1 1 1 5  5  15 o 45.68895 0.9931564 20.93238       0.9040363 20.41995       1.329128  21.37355       1.233250  -1.046730      1.986313  
1 1 1 5  5  16 o 86.35960 1.110052  74.40859       1.827683  75.66961       3.106340  73.74093       2.260331  1.072990       2.220104  
1 1 1 5  5  17 o 91.33163 1.027305  83.50363       1.859782  84.45230       2.832517  82.78474       2.465724  0.8824615      2.054611  
1 1 1 5  5  18 o 11.36636 2.452398  1.135975       0.6040407 1.996579       1.034871  0.6912670      0.7439120 4.758591       4.904797  
1 1 1 5  5  19 o 9.790773 2.528318  0.7910541      0.6505093 1.074418       0.9507794 0.5416699      0.8919540 1.686349       5.056635  
1 1 1 5  5  20 f 39.87861 1.217354  16.66268       0.8897517 14.47144       1.560055  17.71907       1.083196  -4.201656      2.434708  
1 1 1 5  5  21 o 42.88482 1.077923  18.69382       0.9121652 17.95918       1.393617  19.24444       1.206511  -1.566811      2.155846  
1 1 1 5  5  22 o 50.54074 0.9290922 25.84080       0.9388466 25.72418       1.310161  25.96389       1.346024  -0.2211037     1.858184  
1 1 1 5  5  23 o 11.97360 2.583845  1.685399       0.6735879 1.714525       0.9097268 1.650054       1.002162  0.2513285      5.167689  
1 1 1 5  5  24 o 13.72491 2.587523  1.960019       0.6703348 1.441290       0.7826121 3.388855       1.298875  -5.382615      5.175046  
1 1 1 5  6  0  o 386.4673 4.636714  1496.361       35.81293  1485.274       50.27092  1507.786       51.03191  0.000000       0.000000  
1 1 1 5  6  1  o 178.9402 1.528285  320.0249       5.466037  327.0661       7.899565  313.5569       7.571176  3.772842       3.056569  
1 1 1 5  6  2  o 68.02670 0.6864125 46.42813       0.9303490 48.46674       1.279590  44.14190       1.355078  3.179008       1.372825  
1 1 1 5  6  3  f 138.2565 1.377975  191.1374       3.809238  194.2388       5.465302  188.2074       5.312116  2.179916       2.755950  
1 1 1 5  6  4  o 143.4527 1.471124  204.7706       3.782640  203.4089       4.445068  208.3455       7.202193  -1.694595      2.942247  
1 1 1 5  6  5  o 297.7089 2.734539  886.6818       16.10510  883.4938       21.24854  890.9858       24.68875  -1.211731      5.469078  
1 1 1 5  6  6  o 103.5674 1.071227  107.2749       2.218869  107.4584       3.144668  107.0931       3.131285  0.1763000      2.142454  
1 1 1 5  6  7  o 211.4151 1.811333  446.6032       7.652639  458.5770       11.09661  435.7437       10.56769  5.397247       3.622667  
1 1 1 5  6  8  o 377.1082 3.919013  1429.217       28.04563  1408.871       47.76632  1439.920       34.64632  -4.301544      7.838026  
1 1 1 5  6  9  o 226.8813 2.247345  514.4252       10.18645  501.5226       14.01795  528.8617       14.82777  -6.016296      4.494691  
1 1 1 5  6  10 o 45.95010 0.9690467 20.22687       0.8549439 24.27685       1.475660  18.18058       1.048922  6.630219       1.938093  
1 1 1 5  6  11 o 161.5300 1.462808  260.4457       4.566942  263.6416       7.515234  258.5744       5.750561  1.538956       2.925615  
1 1 1 5  6  12 o 143.5493 1.310826  206.6737       3.662466  204.2211       5.884371  208.2246       4.679302  -1.418564      2.621652  
1 1 1 5  6  13 o 57.98373 0.9347830 33.70718       1.078840  34.38716       1.464298  32.89984       1.595558  1.285221       1.869566  
1 1 1 5  6  14 o 82.33250 1.073081  68.92440       1.727236  62.01691       2.664448  73.93114       2.268425  -7.246353      2.146163  
1 1 1 5  6  15 o 135.4040 1.339429  182.2027       3.567265  191.4378       5.636652  176.0325       4.607330  5.642624       2.678858  
1 1 1 5  6  16 o 105.6537 1.220739  111.0633       2.350946  113.7982       4.358848  109.9414       2.791828  1.732056       2.441479  
1 1 1 5  6  17 o 108.8361 1.092453  118.8692       2.320219  118.4591       3.709084  119.1328       2.973938  -0.3779297     2.184906  
1 1 1 5  6  18 o 27.34633 1.223372  7.383660       0.6481138 8.032504       1.076779  7.015054       0.8115921 1.822784       2.446744  
1 1 1 5  6  19 f 40.28433 1.369685  16.14476       1.022410  17.03260       1.852498  15.75587       1.226052  1.428596       2.739370  
1 1 1 5  6  20 o 29.44292 1.556289  8.757426       0.9039135 9.122692       1.410885  8.503114       1.177253  0.9659748      3.112577  
1 1 1 5  6  21 o 18.48859 1.576296  3.477423       0.5794607 3.262647       0.7707044 3.756715       0.8788704 -1.274454      3.152592  
1 1 1 5  6  22 o 35.50439 1.084177  12.82573       0.7697856 13.05643       1.090588  12.59667       1.086705  0.6452522      2.168354  
1 1 1 5  6  23 o 25.93104 1.650117  7.126509       0.8545957 7.100260       1.177683  7.155704       1.242045  -0.2412605E-01 3.300233  
1 1 1 5  6  24 o 8.721858 2.594548  -0.1769784     0.8178080 1.554305       1.335733  -1.215105      1.034334  5.374884       5.189096  
1 1 1 5  7  0  o 249.7693 3.011783  620.2171       14.95194  584.6345       19.91963  666.1378       22.62904  0.000000       0.000000  
1 1 1 5  7  1  o 128.6910 1.206712  164.4109       3.046845  159.5627       3.917011  171.8383       4.848186  -4.764481      2.413425  
1 1 1 5  7  2  o 239.6438 2.039641  574.6508       9.775738  574.3907       13.81341  574.9117       13.83658  -0.1084290     4.079283  
1 1 1 5  7  3  o 246.8672 2.427348  610.0565       11.98376  605.2057       16.82338  615.0532       17.07461  -1.990372      4.854696  
1 1 1 5  7  4  o 346.0258 3.597131  1204.153       23.60531  1213.253       29.14242  1186.792       40.25241  4.062073       7.194261  
1 1 1 5  7  5  o 207.9278 1.918391  432.6396       7.899089  433.2107       10.46591  431.8837       12.04095  0.3329926      3.836782  
1 1 1 5  7  6  o 286.4207 2.527536  811.9424       13.81503  791.8043       17.04058  850.5599       23.59754  -10.19601      5.055072  
1 1 1 5  7  7  o 199.6129 1.860549  395.7867       7.288207  412.6347       11.58337  384.7458       9.376952  6.973679       3.721098  
1 1 1 5  7  8  o 285.0292 2.515795  807.3315       13.75878  832.8104       23.13690  793.3917       17.11353  6.856628       5.031589  
1 1 1 5  7  9  o 169.1495 1.594147  285.4410       5.328452  291.1765       8.232541  281.3060       6.990112  2.907654       3.188293  
1 1 1 5  7  10 o 133.7111 1.453251  179.5409       3.683588  176.7830       6.286442  180.9829       4.545721  -1.591629      2.906502  
1 1 1 5  7  11 o 143.2459 1.311710  205.9564       3.662076  202.4208       5.854366  208.2292       4.693761  -2.045715      2.623420  
1 1 1 5  7  12 o 30.82843 1.024219  9.398506       0.6058189 9.892282       1.023497  9.132209       0.7516329 1.228327       2.048439  
1 1 1 5  7  13 o 202.8554 1.894097  413.5717       7.650469  399.4271       11.25177  425.7335       10.43332  -6.520126      3.788195  
1 1 1 5  7  14 o 88.36552 1.392070  77.15783       1.852628  79.78880       4.515595  76.62534       2.031474  1.703545       2.784140  
1 1 1 5  7  15 o 99.09098 1.018140  98.86272       1.983472  95.01034       3.071009  101.6199       2.598047  -3.351288      2.036279  
1 1 1 5  7  16 o 110.8061 1.245652  124.6992       2.572952  118.4913       4.494916  127.7246       3.137880  -4.254425      2.491304  
1 1 1 5  7  17 o 37.56796 1.036215  14.43324       0.7559319 12.83054       1.183550  15.53750       0.9824226 -3.621243      2.072431  
1 1 1 5  7  18 o 25.70088 1.148054  6.623232       0.5889518 6.454792       0.8039102 6.818369       0.8652787 -0.6987495     2.296108  
1 1 1 5  7  19 o 6.944413 2.165606  -0.2782191     0.5973569 0.3816489E-01  0.8522772 -0.5837250     0.8374973 1.241702       4.331212  
1 1 1 5  7  20 f 22.13158 2.039416  4.954903       0.8932369 6.081888       1.357040  4.093351       1.186518  4.407501       4.078832  
1 1 1 5  7  21 o 43.79536 0.9200007 19.32710       0.8017899 19.09679       1.078265  19.61194       1.199148  -0.5462494     1.840001  
1 1 1 5  7  22 o 15.83233 2.097481  2.753616       0.6443940 3.179534       0.8949986 2.295167       0.9285486 3.091125       4.194962  
1 1 1 5  7  23 o 26.10915 1.683573  7.275891       0.8738755 7.679835       1.197572  6.815837       1.278042  1.759859       3.367146  
1 1 1 5  7  24 o 15.92738 2.721677  3.175426       0.8402825 3.091081       1.373570  3.225869       1.062236  -1.164006      5.443354  
1 1 1 5  8  0  o 217.4466 3.220083  473.3257       13.16990  472.3945       16.10089  475.2084       22.89330  0.000000       0.000000  
1 1 1 5  8  1  o 299.0598 2.937150  895.4850       17.56662  890.6017       24.68340  900.4964       25.00563  -1.649200      5.874300  
1 1 1 5  8  2  o 128.5918 1.120075  165.3466       2.880015  163.1674       4.022194  167.6395       4.125690  -1.738159      2.240149  
1 1 1 5  8  3  o 244.3661 3.283523  601.4711       12.94810  593.1198       28.50940  603.6415       14.53349  -2.445648      6.567046  
1 1 1 5  8  4  o 146.1108 1.634716  213.3733       4.674816  214.5315       7.427867  212.6136       6.015624  0.6437988      3.269432  
1 1 1 5  8  5  o 313.6826 2.883648  981.1907       17.81329  963.9891       23.14969  1006.161       27.89133  -6.663483      5.767295  
1 1 1 5  8  6  o 438.0822 3.837331  1927.759       32.68462  1947.312       41.71481  1896.669       52.60178  5.922760       7.674663  
1 1 1 5  8  7  o 286.1153 2.973642  824.0482       16.18709  835.1437       20.08399  803.4794       27.34507  5.597656       5.947283  
1 1 1 5  8  8  o 150.7108 1.420476  227.0414       4.232249  226.2118       5.572888  228.1717       6.505322  -0.6447906     2.840952  
1 1 1 5  8  9  o 174.7681 1.642727  306.1778       5.695554  310.5612       7.616854  300.6182       8.577993  2.853439       3.285455  
1 1 1 5  8  10 o 211.6155 1.880274  449.5284       7.750329  442.3243       12.41342  454.1307       9.921765  -2.830856      3.760548  
1 1 1 5  8  11 o 222.0281 1.814157  493.3989       8.005012  494.9174       12.02356  492.1898       10.72841  0.5841980      3.628314  
1 1 1 5  8  12 o 72.31155 0.8328404 51.27695       1.159864  56.04656       1.957512  48.69651       1.439829  5.074982       1.665681  
1 1 1 5  8  13 o 104.9385 0.9503396 109.9866       1.983287  112.0570       2.979347  108.3390       2.657710  1.764023       1.900679  
1 1 1 5  8  14 o 17.34927 2.191684  3.137614       0.7280426 4.090428       1.032998  2.197207       1.026250  5.700068       4.383369  
1 1 1 5  8  15 o 201.7146 1.894599  409.0855       7.582986  401.8771       11.41178  414.7847       10.14719  -3.281555      3.789198  
1 1 1 5  8  16 o 57.61199 0.8986562 33.20922       1.020985  33.38999       1.583723  33.08065       1.335569  0.2556572      1.797312  
1 1 1 5  8  17 o 53.23078 0.7949038 28.37777       0.8461654 28.68650       1.208109  28.08046       1.185527  0.5675697      1.589808  
1 1 1 5  8  18 o 31.99892 0.9807894 10.29036       0.6261013 11.14877       0.8865162 9.436114       0.8843693 2.675844       1.961579  
1 1 1 5  8  19 o 11.44896 2.193681  1.291236       0.5380681 0.7115844      0.7072486 2.087782       0.8290759 -5.109137      4.387362  
1 1 1 5  8  20 o 34.92715 1.105648  12.46753       0.7590508 11.27958       1.152232  13.37833       1.008909  -3.044827      2.211296  
1 1 1 5  8  21 o 21.43824 1.419735  4.519013       0.5940333 3.384260       0.7674882 6.214569       0.9381603 -6.511007      2.839470  
1 1 1 5  8  22 f 38.20315 1.033391  14.86530       0.7879114 15.04723       1.083802  14.66136       1.147472  0.5436440      2.066782  
1 1 1 5  8  23 o 9.520284 2.707581  0.5799907      0.8169465 -0.4680771E-01 1.100080  1.350708       1.219855  -3.173048      5.415162  
1 1 1 5  8  24 o 7.485266 2.385851  -0.1386827     0.7539974 -0.6798170E-01 1.084112  -0.2049241     1.049364  0.3218246      4.771702  
1 1 1 5  9  0  o 154.9250 2.292839  244.6465       6.923971  218.6061       10.71283  263.3289       9.073930  0.000000       0.000000  
1 1 1 5  9  1  o 129.4869 1.130449  167.6778       2.927167  165.9689       4.098806  169.4565       4.181716  -1.346100      2.260899  
1 1 1 5  9  2  o 143.5217 1.520258  206.7878       4.137118  203.8302       7.059073  208.3352       5.105917  -1.589462      3.040517  
1 1 1 5  9  3  o 187.7414 1.611509  352.6123       6.050756  350.9128       8.516993  354.3440       8.597700  -0.9130096     3.223018  
1 1 1 5  9  4  o 299.6216 2.548451  898.3762       15.26933  889.3023       21.38115  907.8205       21.81352  -3.084869      5.096902  
1 1 1 5  9  5  o 202.0164 1.875234  406.7560       7.465396  399.6665       9.717951  416.9639       11.66101  -4.266617      3.750469  
1 1 1 5  9  6  o 272.5956 2.844822  743.8239       14.63655  744.2340       17.94630  743.0092       25.29420  0.2898865      5.689644  
1 1 1 5  9  7  o 389.8397 3.422795  1518.382       25.76787  1509.969       32.41966  1532.814       42.46223  -2.820496      6.845590  
1 1 1 5  9  8  o 288.1085 3.834070  851.2697       18.32176  867.5528       20.85935  796.2935       38.32819  12.64166       7.668140  
1 1 1 5  9  9  o 281.3652 2.589445  794.6736       14.49343  771.1382       21.46342  814.4001       19.65002  -7.717804      5.178890  
1 1 1 5  9  10 f 177.6909 1.669909  315.5047       5.862976  318.9766       9.042877  312.9868       7.700863  1.664444       3.339818  
1 1 1 5  9  11 o 24.78812 1.184779  6.138990       0.5869462 5.889813       0.8122277 6.411327       0.8491367 -1.051350      2.369558  
1 1 1 5  9  12 o 91.04208 0.9573609 83.16231       1.736863  86.35214       2.385983  79.56669       2.533212  3.729034       1.914722  
1 1 1 5  9  13 f 64.72251 0.8432300 42.05493       1.086572  40.12220       1.592277  43.73932       1.486463  -2.796574      1.686460  
1 1 1 5  9  14 f 191.8545 2.163907  363.8307       7.981847  349.8797       9.909899  389.5965       13.46750  -10.13371      4.327815  
1 1 1 5  9  15 o 40.65207 1.107052  16.46697       0.8974741 17.58017       1.332719  15.54324       1.214011  2.500698       2.214103  
1 1 1 5  9  16 o 58.57091 0.8073477 34.34909       0.9454169 34.51675       1.321616  34.17339       1.352979  0.2946854      1.614695  
1 1 1 5  9  17 o 22.04836 1.336011  4.933386       0.5832646 5.465435       0.8022558 4.336840       0.8494907 2.565424       2.672022  
1 1 1 5  9  18 o 78.11612 0.9393280 60.22857       1.423110  57.37827       1.785930  65.18649       2.355428  -4.928589      1.878656  
1 1 1 5  9  19 o 10.68435 2.213233  1.175777       0.5584315 1.831333       0.7490374 0.3554599      0.8378947 4.861102       4.426465  
1 1 1 5  9  20 o 9.744851 2.391886  0.8474991      0.5775926 0.5227584      0.7676563 1.271218       0.8768744 -2.633545      4.783772  
1 1 1 5  9  21 o 27.64265 1.213622  7.776578       0.6614734 7.880598       0.8693097 7.633522       1.019458  0.5127792      2.427243  
1 1 1 5  9  22 o 9.350126 2.475073  0.7863093      0.6385350 1.082978       0.8844704 0.4633719      0.9227983 1.631196       4.950145  
1 1 1 5  9  23 f 29.79836 1.531701  9.619886       0.8713117 10.47377       1.115023  8.280776       1.396346  4.019405       3.063402  
1 1 1 5  9  24 o 26.69410 1.607190  7.839162       0.8338599 9.809427       1.179726  5.872037       1.178786  7.373291       3.214381  
1 1 1 5  10 0  o 245.3702 2.963413  603.0837       14.53284  605.5854       20.63854  600.6234       20.46760  0.000000       0.000000  
1 1 1 5  10 1  o 167.3528 1.783202  274.6772       5.480967  294.2250       10.13577  266.5989       6.515807  8.210754       3.566404  
1 1 1 5  10 2  o 285.9349 2.630949  817.8472       14.87145  823.4987       22.87224  813.7083       19.57371  1.657471       5.261899  
1 1 1 5  10 3  o 285.2611 2.625956  812.3978       14.77115  827.4941       22.98860  801.7825       19.27720  4.454803       5.251912  
1 1 1 5  10 4  o 268.4460 2.471210  721.5101       13.14307  718.7705       19.98546  723.5977       17.44641  -0.9267273     4.942420  
1 1 1 5  10 5  o 204.6494 2.269126  418.5946       9.090111  416.8808       11.69895  421.2057       14.44026  -1.033661      4.538253  
1 1 1 5  10 6  o 304.7599 2.685434  924.0375       15.72202  910.6113       19.59793  948.2800       26.33429  -6.126770      5.370868  
1 1 1 5  10 7  f 145.5416 1.321389  212.3025       3.738113  213.7579       4.764289  209.9715       6.029325  1.306641       2.642778  
1 1 1 5  10 8  o 165.7533 2.274501  275.8726       6.073600  276.5291       6.810618  273.3221       13.42346  1.032013       4.549001  
1 1 1 5  10 9  f 69.18877 0.9274579 47.95858       1.281265  45.56755       1.831923  50.24826       1.792680  -3.382828      1.854916  
1 1 1 5  10 10 o 134.4209 1.307738  180.7789       3.483688  180.7683       5.296217  180.7871       4.625062  -0.1577759E-01 2.615476  
1 1 1 5  10 11 o 111.7438 1.043347  124.9239       2.331683  125.3352       3.288186  124.5079       3.306890  0.3704605      2.086695  
1 1 1 5  10 12 o 40.49046 0.9056282 16.28919       0.7249054 15.70021       0.9478992 17.11888       1.125057  -1.748867      1.811256  
1 1 1 5  10 13 o 35.15830 1.065649  12.36666       0.7488875 12.49382       1.080083  12.24894       1.039269  0.3471603      2.131298  
1 1 1 5  10 14 o 51.19592 0.8829109 26.23228       0.8919622 26.25781       1.170085  26.19686       1.378150  0.6495285E-01  1.765822  
1 1 1 5  10 15 o 127.0699 1.345109  161.0772       3.407389  153.6987       4.600439  170.0439       5.071476  -6.408577      2.690218  
1 1 1 5  10 16 o 118.6694 1.107878  141.0450       2.628146  138.1930       3.648214  144.1220       3.789320  -2.487961      2.215757  
1 1 1 5  10 17 o 11.49329 2.300514  1.376648       0.5525792 1.405808       0.7749595 1.346488       0.7881370 0.2108011      4.601029  
1 1 1 5  10 18 o 88.67082 1.000118  78.75203       1.747197  77.96397       2.277179  79.87996       2.724325  -1.021530      2.000235  
1 1 1 5  10 19 o 69.85893 1.053714  48.96187       1.371457  48.66272       1.659061  49.60742       2.437188  -0.5020142     2.107427  
1 1 1 5  10 20 o 68.88946 0.8848204 47.72913       1.217823  47.18913       1.680148  48.32688       1.767709  -0.8037567     1.769641  
1 1 1 5  10 21 o 9.194351 2.346950  0.6971123      0.5699451 0.3093453      0.7702073 1.166448       0.8473524 -2.805676      4.693900  
1 1 1 5  10 22 o 24.71970 1.430471  6.381288       0.7007708 6.876096       0.9561206 5.806962       1.030087  2.228251       2.860943  
1 1 1 5  10 23 o 13.77455 2.321990  2.518530       0.7759544 3.795952       0.9638711 0.1659962      1.308036  9.935091       4.643980  
1 1 1 5  10 24 o 25.56084 2.019861  7.656606       0.9967252 9.004354       1.351643  6.050163       1.475674  6.087435       4.039721  
1 1 1 5  11 0  o 42.49913 1.036559  17.86152       0.8356649 18.97797       1.441559  17.29645       1.025565  0.000000       0.000000  
1 1 1 5  11 1  o 183.3898 1.822185  336.5067       6.683386  336.0416       9.439330  336.9744       9.464190  -0.2540588     3.644370  
1 1 1 5  11 2  o 172.0933 1.604662  296.0594       5.460577  294.8298       7.194047  297.7307       8.387433  -0.8324280     3.209324  
1 1 1 5  11 3  o 47.94712 0.6891755 22.85224       0.6523743 22.16641       0.8509350 23.83007       1.016067  -1.734356      1.378351  
1 1 1 5  11 4  o 598.2814 5.075254  3589.919       60.72805  3599.288       86.10367  3580.646       85.66288  1.548889       10.15051  
1 1 1 5  11 5  o 279.7670 2.929557  777.9399       15.30886  798.3668       27.17808  768.4468       18.52776  5.263489       5.859114  
1 1 1 5  11 6  o 329.7068 2.896210  1088.494       18.50986  1090.521       23.46020  1085.151       30.12643  0.8715820      5.792420  
1 1 1 5  11 7  o 111.2808 1.448947  123.3432       3.217035  131.4226       4.755665  116.5268       4.368146  6.690666       2.897894  
1 1 1 5  11 8  o 139.9158 1.277622  197.0750       3.501855  202.4507       4.551419  189.2758       5.482191  4.713882       2.555244  
1 1 1 5  11 9  o 247.9245 2.295993  614.8508       11.25626  611.7819       14.82820  619.0243       17.29177  -1.415558      4.591987  
1 1 1 5  11 10 o 116.8982 1.346095  134.2904       2.904217  143.0209       5.317103  130.5783       3.467088  5.295197       2.692190  
1 1 1 5  11 11 o 75.23328 0.8835925 56.53114       1.316419  56.00460       1.739759  57.23640       2.013491  -0.8151016     1.767185  
1 1 1 5  11 12 o 115.0635 1.073688  132.4813       2.470821  133.1327       3.493843  131.8295       3.494696  0.5663300      2.147375  
1 1 1 5  11 13 o 137.1220 1.598913  186.3246       4.251685  196.5564       7.003379  180.3525       5.350504  5.842484       3.197826  
1 1 1 5  11 14 o 91.18595 0.9971902 83.52376       1.811259  87.71486       2.493939  78.84557       2.634883  4.867645       1.994380  
1 1 1 5  11 15 o 125.1170 1.335701  156.8443       3.342212  156.6830       4.701995  157.0090       4.751599  -0.1277618     2.671402  
1 1 1 5  11 16 o 63.54924 0.8435365 40.40715       1.071243  39.71891       1.480313  41.16382       1.552175  -1.132896      1.687073  
1 1 1 5  11 17 o 24.79657 1.215534  6.170189       0.6019120 5.711500       0.8387465 6.657244       0.8642924 -1.903788      2.431068  
1 1 1 5  11 18 o 38.16597 0.8799604 14.58725       0.6698048 14.30368       0.9098707 14.92273       0.9896432 -0.8010788     1.759921  
1 1 1 5  11 19 o 21.43867 1.687753  4.442554       0.6636681 4.123166       0.7821121 5.264054       1.254331  -2.492668      3.375506  
1 1 1 5  11 20 o 36.82868 1.037729  13.69661       0.7634236 13.32446       1.097570  14.04541       1.062568  -0.9892464     2.075457  
1 1 1 5  11 21 o 12.92228 2.329889  1.822513       0.6005967 1.737696       0.8003188 1.931861       0.9087133 -0.6377401     4.659777  
1 1 1 5  11 22 o 9.629357 2.576869  0.8596371      0.6870573 0.6367212      0.9856641 1.070308       0.9582090 -1.098976      5.153739  
1 1 1 5  11 23 o 10.11574 2.539548  1.045622       0.7185004 1.799141       0.9647782 0.1072670      1.076623  4.160807       5.079096  
1 1 1 5  11 24 o 23.79071 1.749420  6.303286       0.8315298 6.008796       1.176561  6.597176       1.175362  -1.239313      3.498840  
1 1 1 5  12 0  o 25.98713 1.435972  6.865445       0.7364458 7.338233       1.064749  6.431820       1.019695  0.000000       0.000000  
1 1 1 5  12 1  o 68.65294 0.7704024 46.64965       1.036150  44.84388       1.325569  49.48595       1.661295  -3.379494      1.540805  
1 1 1 5  12 2  o 177.2845 1.532133  314.3778       5.432233  312.5061       7.639333  316.2923       7.726076  -1.067215      3.064266  
1 1 1 5  12 3  o 329.2184 2.799338  1084.148       18.42241  1106.020       26.57162  1063.903       25.56403  6.384674       5.598676  
1 1 1 5  12 4  o 87.52405 0.8375080 76.60027       1.465919  75.87113       2.056903  77.35284       2.089731  -0.8463593     1.675016  
1 1 1 5  12 5  o 279.1343 3.075400  778.6601       16.78754  785.1628       26.75797  774.4391       21.55816  1.872681       6.150800  
1 1 1 5  12 6  o 383.5144 3.517615  1474.107       26.74920  1485.036       35.64275  1460.015       40.47436  3.317017       7.035230  
1 1 1 5  12 7  o 241.1133 2.447860  579.7481       10.61771  577.1573       12.51301  586.4105       20.06589  -1.842316      4.895721  
1 1 1 5  12 8  o 153.7784 1.462231  237.1932       4.474246  243.5538       6.076940  229.6634       6.611937  4.520737       2.924462  
1 1 1 5  12 9  o 176.5309 1.657191  312.7111       5.824865  322.4482       7.947200  301.4083       8.562362  5.968033       3.314382  
1 1 1 5  12 10 o 111.9235 1.122946  125.4364       2.493423  126.2395       3.327563  124.4080       3.765344  0.8240356      2.245892  
1 1 1 5  12 11 o 107.5720 1.095238  115.9030       2.337602  116.7953       3.121866  114.7643       3.526782  0.9508057      2.190476  
1 1 1 5  12 12 o 99.26694 1.063935  98.50063       2.089337  99.31391       3.205534  97.89993       2.754933  0.7021561      2.127871  
1 1 1 5  12 13 o 65.49391 0.9822320 43.01773       1.245989  42.54687       2.027922  43.30328       1.579236  -0.5885696     1.964464  
1 1 1 5  12 14 o 151.6442 1.465386  231.0623       4.423004  222.9773       6.517440  237.9649       6.022036  -4.965118      2.930771  
1 1 1 5  12 15 o 153.2831 1.477070  236.1191       4.499399  230.3000       6.708105  240.8781       6.066398  -3.489853      2.954140  
1 1 1 5  12 16 o 47.06518 0.8952346 22.17532       0.8424863 22.64180       1.207628  21.73301       1.175916  0.9635429      1.790469  
1 1 1 5  12 17 o 73.41719 0.9243377 53.96103       1.336858  53.59682       1.743137  54.48119       2.083194  -0.5692978     1.848675  
1 1 1 5  12 18 o 49.04958 0.8988689 24.25163       0.8756961 23.15171       1.300109  25.16502       1.184756  -2.069141      1.797738  
1 1 1 5  12 19 o 13.80378 2.404412  1.943284       0.6480337 2.587261       1.061200  1.560337       0.8183358 3.416942       4.808824  
1 1 1 5  12 20 o 29.09118 1.209236  8.554980       0.7031516 8.336548       0.9742619 8.792460       1.015855  -0.7692223     2.418471  
1 1 1 5  12 21 o 8.807119 2.374368  0.5484376      0.6186010 1.025398       0.8186021 -0.8653293E-01 0.9445137 2.486300       4.748735  
1 1 1 5  12 22 o 8.457144 2.476582  0.3610313      0.6939093 0.4350786E-01  0.9882222 0.6698560      0.9745916 -1.323127      4.953165  
1 1 1 5  12 23 o 7.273473 2.293065  -0.7450420E-01 0.6593121 0.7838906E-01  0.8104892 -0.3736104     1.133615  -0.3388309     4.586131  
1 1 1 5  12 24 o 32.45977 1.478610  11.01512       0.9390838 13.21785       1.534386  9.695877       1.187454  4.757509       2.957220  
1 1 1 5  13 0  o 65.30807 0.9918732 42.69501       1.293925  43.60345       1.853836  41.83204       1.806842  0.000000       0.000000  
1 1 1 5  13 1  o 108.0524 0.9841700 116.7675       2.126839  116.7401       3.007804  116.7950       3.007805  -0.2539063E-01 1.968340  
1 1 1 5  13 2  o 23.20284 0.9038303 5.351355       0.4180578 5.810952       0.6225089 4.973791       0.5642248 1.803785       1.807661  
1 1 1 5  13 3  o 325.9603 2.994316  1065.201       19.36440  1077.192       25.88202  1049.954       29.18539  4.215698       5.988633  
1 1 1 5  13 4  o 61.91410 0.7816949 38.40715       0.9571819 38.82830       1.266561  37.84628       1.461615  0.7935410      1.563390  
1 1 1 5  13 5  o 202.6049 1.886671  410.3470       7.558239  412.3520       11.60906  408.8718       9.957850  0.8496399      3.773343  
1 1 1 5  13 6  o 262.3159 2.422181  689.1416       12.59398  693.2932       16.75585  683.7509       19.09334  1.839478       4.844363  
1 1 1 5  13 7  o 299.6497 2.636993  900.5448       15.35059  906.5658       19.54752  890.8579       24.79419  2.682892       5.273987  
1 1 1 5  13 8  o 205.4735 2.049421  422.0447       8.414298  411.8085       11.60396  433.3948       12.21908  -5.244293      4.098842  
1 1 1 5  13 9  o 111.3147 1.069394  124.8894       2.331465  128.9204       3.033420  119.0712       3.644404  4.430061       2.138787  
1 1 1 5  13 10 o 140.3184 1.645419  193.1096       4.426585  183.8276       5.465002  210.8164       7.548143  -9.572403      3.290838  
1 1 1 5  13 11 o 168.9111 1.605961  285.9445       5.374834  287.8199       7.143731  283.4979       8.159462  1.306335       3.211921  
1 1 1 5  13 12 o 49.99036 0.9685691 24.67801       0.9324498 23.83972       1.161155  26.20022       1.564697  -2.351810      1.937138  
1 1 1 5  13 13 o 115.2656 1.098668  132.2480       2.521602  125.6744       3.380481  140.4935       3.786051  -6.416534      2.197336  
1 1 1 5  13 14 o 64.05663 1.115740  41.22261       1.424243  38.76510       2.062407  43.46299       1.969191  -3.670433      2.231480  
1 1 1 5  13 15 o 51.92522 0.9470341 27.05706       0.9806787 25.97255       1.424132  28.03511       1.352424  -1.989235      1.894068  
1 1 1 5  13 16 o 43.03913 0.9331782 18.48937       0.8015051 17.54729       1.090239  19.59736       1.182355  -2.375149      1.866356  
1 1 1 5  13 17 o 40.17352 0.9986243 16.39737       0.7817208 17.22147       1.013137  15.18494       1.228876  2.557331       1.997249  
1 1 1 5  13 18 o 38.08026 1.070715  13.88828       0.7935997 11.65008       0.9925860 17.85429       1.321280  -8.082001      2.141430  
1 1 1 5  13 19 o 47.37809 1.064005  22.54622       0.9737874 22.82352       1.603851  22.38430       1.225533  0.3766136      2.128010  
1 1 1 5  13 20 o 65.74306 1.086658  43.45220       1.312579  43.17984       1.570034  44.08445       2.392161  -0.4397659     2.173316  
1 1 1 5  13 21 f 17.26986 1.965696  3.306899       0.6291919 4.062781       0.8414407 2.348226       0.9476149 5.288799       3.931391  
1 1 1 5  13 22 o 12.96379 2.523017  1.692304       0.8153942 0.9675258E-01  1.110845  3.556320       1.200669  -9.319991      5.046034  
1 1 1 5  13 23 o 30.14482 2.000688  10.25899       1.170686  11.61218       1.565399  8.541763       1.763438  5.452866       4.001376  
1 1 1 5  14 0  o 417.7750 5.022471  1749.009       41.93089  1769.149       59.97587  1729.752       58.64500  0.000000       0.000000  
1 1 1 5  14 1  o 332.1939 2.825721  1104.481       18.77320  1109.440       26.67248  1099.613       26.42783  1.476318       5.651442  
1 1 1 5  14 2  o 201.3483 1.733960  405.3878       6.980631  411.7137       10.01719  399.4156       9.733142  3.052094       3.467921  
1 1 1 5  14 3  o 211.6822 1.819959  448.2323       7.705033  449.0872       10.91360  447.3828       10.87961  0.4023743      3.639919  
1 1 1 5  14 4  o 129.7613 1.161475  168.2961       3.012943  165.1379       4.185693  171.6920       4.340407  -2.524918      2.322951  
1 1 1 5  14 5  o 212.5877 1.830056  451.7988       7.777342  460.6979       11.20695  443.5314       10.80188  4.035095       3.660111  
1 1 1 5  14 6  o 81.34947 0.9002165 66.16381       1.451594  66.03563       1.927530  66.33174       2.206325  -0.1809769     1.800433  
1 1 1 5  14 7  o 127.5747 1.152711  162.7829       2.941122  162.9189       4.166308  162.6479       4.152476  0.1061478      2.305422  
1 1 1 5  14 8  o 151.0725 1.445633  228.9911       4.352570  238.1482       5.987196  218.7272       6.338765  6.431686       2.891267  
1 1 1 5  14 9  o 77.99437 0.9272311 61.01365       1.441829  63.58844       1.989411  58.16480       2.092609  3.477921       1.854462  
1 1 1 5  14 10 o 116.6669 1.168835  136.5493       2.719916  145.2314       3.800197  127.4303       3.894626  7.630539       2.337671  
1 1 1 5  14 11 o 74.18561 0.9554014 55.37329       1.308282  55.88173       1.575875  54.24569       2.346798  1.115715       1.910803  
1 1 1 5  14 12 o 92.33769 1.135593  86.14616       2.041820  81.65490       3.239204  89.10725       2.630147  -4.052620      2.271186  
1 1 1 5  14 13 o 132.6797 1.409260  175.9592       3.732577  170.9238       5.096866  181.7831       5.481409  -4.077347      2.818520  
1 1 1 5  14 14 o 27.19380 1.512010  7.460074       0.7912194 7.595475       0.9967499 7.229407       1.300963  0.6886024      3.024021  
1 1 1 5  14 15 o 116.4273 1.109379  135.4227       2.577166  130.5730       3.503608  141.1404       3.804254  -4.520386      2.218757  
1 1 1 5  14 16 o 41.43410 0.9608648 17.18428       0.7914590 17.00466       1.060020  17.41056       1.189766  -0.4789467     1.921730  
1 1 1 5  14 17 o 55.09173 0.8224455 30.41826       0.9060802 31.04220       1.283340  29.79809       1.279451  1.128765       1.644891  
1 1 1 5  14 18 o 19.57167 1.803770  3.948435       0.6787272 4.106020       0.8601108 3.688348       1.104979  1.146523       3.607541  
1 1 1 5  14 19 o 45.65453 0.8862718 20.96411       0.8083158 21.32647       1.122509  20.57385       1.164933  0.8327904      1.772544  
1 1 1 5  14 20 o 53.14708 0.9488744 28.31300       0.9872802 27.75038       1.266573  29.18419       1.576080  -1.260967      1.897749  
1 1 1 5  14 21 o 27.37187 1.244309  7.656306       0.6769168 8.038858       0.9227138 7.210481       0.9961029 1.548487       2.488618  
1 1 1 5  14 22 o 10.46197 2.652182  1.158621       0.7058858 1.238827       0.9606031 1.064473       1.040754  0.3906841      5.304365  
1 1 1 5  14 23 o 13.43539 2.908779  2.301193       0.8341338 2.306060       1.025272  2.291663       1.434544  0.5246439      5.817558  
1 1 1 5  15 0  o 197.2556 2.410975  389.5325       9.504718  392.2804       13.52621  386.8522       13.35876  0.000000       0.000000  
1 1 1 5  15 1  f 564.7643 4.794823  3194.964       54.13271  3255.809       78.02887  3138.508       75.16202  10.33661       9.589646  
1 1 1 5  15 2  o 204.5493 1.762263  418.4815       7.208828  421.8055       10.27294  415.2566       10.11847  1.599945       3.524526  
1 1 1 5  15 3  o 307.7236 2.625262  945.8630       16.13490  977.1164       23.57373  918.3182       22.13094  9.542419       5.250525  
1 1 1 5  15 4  o 159.1776 1.397035  253.2179       4.444939  259.0224       6.420361  247.8747       6.159912  3.500519       2.794070  
1 1 1 5  15 5  o 345.2296 3.586533  1200.746       23.57399  1217.776       29.27945  1169.362       39.74788  7.149841       7.173066  
1 1 1 5  15 6  o 111.5397 1.037732  124.3969       2.314620  126.1869       3.308576  122.6810       3.239258  1.571266       2.075464  
1 1 1 5  15 7  o 211.0524 2.107630  442.5660       8.846861  417.3401       11.78498  475.1360       13.39104  -13.67184      4.215260  
1 1 1 5  15 8  o 124.3675 1.179060  155.3282       2.858769  157.4942       3.668834  151.9803       4.561109  2.225784       2.358120  
1 1 1 5  15 9  o 121.0038 1.148812  147.6693       2.728911  153.2322       3.573224  139.8836       4.227211  5.524376       2.297625  
1 1 1 5  15 10 o 19.90973 1.615881  4.098817       0.6128375 4.472859       0.7795802 3.493764       0.9915116 2.463772       3.231763  
1 1 1 5  15 11 o 61.57752 1.225513  40.60287       1.301666  43.69903       1.532974  32.60205       2.464285  9.031197       2.451026  
1 1 1 5  15 12 o 57.62650 1.029193  33.15162       1.177374  32.58655       1.566072  33.88616       1.785550  -1.121941      2.058385  
1 1 1 5  15 13 o 124.5114 1.662633  155.4031       4.139230  156.1057       5.794569  154.6711       5.914792  0.5819702      3.325265  
1 1 1 5  15 14 o 58.41545 0.9691551 34.18090       1.130302  33.69983       1.641306  34.61486       1.558857  -0.7860489     1.938310  
1 1 1 5  15 15 o 23.83539 1.530707  5.767096       0.7206890 6.238884       0.9729640 5.193582       1.072742  2.202085       3.061414  
1 1 1 5  15 16 o 31.17791 1.209541  9.607558       0.7370214 9.089999       0.9360815 10.45170       1.195475  -2.154037      2.419083  
1 1 1 5  15 17 o 25.32047 1.390190  6.429214       0.6816584 6.352018       0.8599992 6.559679       1.118010  -0.3652344     2.780379  
1 1 1 5  15 18 o 30.07285 1.102895  9.106728       0.6622024 9.164534       0.9118132 9.042209       0.9632974 0.2142372      2.205790  
1 1 1 5  15 19 o 49.16130 0.8817072 24.24598       0.8652015 23.55082       1.180499  25.05276       1.271750  -1.508251      1.763414  
1 1 1 5  15 20 o 12.60702 2.399065  1.742076       0.6178924 1.801771       0.8416049 1.672274       0.9100691 0.4697599      4.798130  
1 1 1 5  15 21 o 48.62470 0.9969891 24.06670       0.9648854 25.90295       1.338578  22.08065       1.392104  3.955322       1.993978  
1 1 1 5  15 22 o 10.36957 2.584039  1.144081       0.7083231 1.639256       0.9307257 0.4625443      1.091911  2.967070       5.168077  
1 1 1 5  15 23 o 37.26950 1.297811  14.48193       0.9648619 15.62423       1.428074  13.52254       1.308761  2.664200       2.595622  
1 1 1 5  16 0  o 97.42012 1.318654  95.01863       2.567123  95.07131       3.620218  94.96535       3.640790  0.000000       0.000000  
1 1 1 5  16 1  o 311.4109 2.653562  969.9954       16.52221  984.6506       23.71189  956.1653       23.03469  4.568146       5.307125  
1 1 1 5  16 2  o 329.3353 2.806005  1084.302       18.46902  1111.204       26.73987  1059.761       25.53970  7.800262       5.612010  
1 1 1 5  16 3  o 178.2821 1.679495  317.4776       5.915181  315.1136       7.766494  320.7432       9.128164  -1.571884      3.358989  
1 1 1 5  16 4  o 284.4950 2.968294  814.6754       16.06459  825.2350       19.92687  795.0713       27.15108  5.375793       5.936587  
1 1 1 5  16 5  o 254.7275 2.187250  648.9270       11.13897  659.9553       16.01665  638.5964       15.50173  4.187729       4.374499  
1 1 1 5  16 6  o 141.7093 1.373654  200.1949       3.836238  204.7458       5.988278  197.0272       4.996049  2.716721       2.747309  
1 1 1 5  16 7  o 236.4814 2.196469  559.8171       10.28466  559.7050       15.69188  559.9016       13.61718  -0.7542419E-01 4.392938  
1 1 1 5  16 8  o 124.7468 1.237783  153.6419       3.012683  164.7180       4.898061  146.9016       3.820936  7.128326       2.475566  
1 1 1 5  16 9  o 147.5222 1.362532  217.7467       3.895584  217.6572       4.933272  217.8949       6.349244  -0.5580139E-01 2.725064  
1 1 1 5  16 10 o 208.1624 2.148818  430.2464       7.977172  425.5307       9.336294  442.9992       15.35331  -3.994965      4.297636  
1 1 1 5  16 11 o 62.21489 0.9799822 38.87140       1.158362  39.18925       1.432994  38.27210       1.967655  0.7481155      1.959964  
1 1 1 5  16 12 o 101.2964 1.022351  102.6333       2.070006  101.2220       2.871034  104.1612       2.987288  -1.447746      2.044701  
1 1 1 5  16 13 o 81.15796 1.219170  65.84007       1.969584  67.08779       2.943674  64.82873       2.650209  1.380501       2.438341  
1 1 1 5  16 14 o 137.8426 1.476371  189.4288       4.050538  180.6956       5.420953  200.4678       6.094711  -7.134079      2.952741  
1 1 1 5  16 15 o 63.69784 0.9842453 40.70414       1.218442  40.89230       1.551814  40.40166       1.967522  0.4116135      1.968491  
1 1 1 5  16 16 f 75.61021 0.8984441 57.33342       1.356394  57.91856       1.870745  56.68486       1.969525  0.8247299      1.796888  
1 1 1 5  16 17 o 39.29542 1.414754  16.12067       1.013382  17.04580       1.226309  14.12850       1.799549  3.813919       2.829509  
1 1 1 5  16 18 o 17.35986 2.337434  3.289388       0.7638411 2.693308       1.223868  3.669732       0.9776191 -3.216272      4.674868  
1 1 1 5  16 19 o 45.21199 0.9612002 20.51198       0.8670181 21.55346       1.281878  19.63379       1.177108  2.096375       1.922400  
1 1 1 5  16 20 f 20.40080 1.583987  4.249784       0.6439230 4.013829       0.8666123 4.540632       0.9621518 -1.234184      3.167974  
1 1 1 5  16 21 o 10.10148 2.582469  1.014879       0.7058032 1.431802       0.8676032 0.1990414      1.213655  2.449749       5.164938  
1 1 1 5  16 22 o 22.66269 1.643456  5.484895       0.7359036 6.336598       1.032886  4.606835       1.048745  3.836424       3.286912  
1 1 1 5  16 23 o 6.992154 2.246547  -0.5105552     0.7312478 0.2596020      0.9689974 -1.529328      1.114478  1.932999       4.493093  
1 1 1 5  17 0  o 276.0916 3.343036  763.0862       18.44369  753.7681       25.76577  772.8782       26.41290  0.000000       0.000000  
1 1 1 5  17 1  o 130.1911 1.176063  169.4378       3.061242  166.5924       4.263033  172.4671       4.398652  -2.255707      2.352126  
1 1 1 5  17 2  o 274.9510 2.352158  756.1307       12.93154  766.1339       18.53104  746.6357       18.05420  3.542236       4.704316  
1 1 1 5  17 3  o 462.8566 6.223525  2157.204       46.27021  2161.710       51.83910  2139.547       102.6171  3.450012       12.44705  
1 1 1 5  17 4  o 398.1242 3.384933  1587.057       26.95150  1595.145       38.31230  1579.132       37.92105  2.005615       6.769866  
1 1 1 5  17 5  o 75.33142 0.9205762 56.59892       1.366107  55.87450       1.778537  57.64133       2.133471  -1.171204      1.841152  
1 1 1 5  17 6  o 134.0011 1.556621  180.7145       4.141480  168.7248       6.111782  190.8940       5.631526  -8.276611      3.113242  
1 1 1 5  17 7  o 292.4339 2.700060  857.5928       15.66137  849.2865       23.66073  864.0697       20.89354  -2.590515      5.400119  
1 1 1 5  17 8  o 220.4370 1.907063  486.4214       8.407126  489.8651       11.97703  483.0766       11.80381  1.536224       3.814127  
1 1 1 5  17 9  o 51.28338 1.109262  26.30633       1.137734  26.30633       1.137734  ?              ?         ?              ?         
1 1 1 5  17 10 o 141.3174 1.383594  200.1372       3.879852  201.8547       5.184834  197.9515       5.848863  1.397278       2.767188  
1 1 1 5  17 11 o 38.42960 1.046695  15.18800       0.7685173 16.36319       0.9765531 13.27611       1.245587  4.023281       2.093390  
1 1 1 5  17 12 o 76.16606 1.326427  58.23529       1.550004  58.31768       1.711639  57.85983       3.653911  0.3642197      2.652855  
1 1 1 5  17 13 o 117.7284 1.487118  138.6031       3.455398  140.6161       5.355562  137.1674       4.522681  1.423874       2.974235  
1 1 1 5  17 14 o 48.21752 1.118951  23.45228       1.040900  23.94284       1.316864  22.63540       1.699312  1.373947       2.237903  
1 1 1 5  17 15 o 88.08918 1.025025  77.57654       1.780982  76.71437       2.326982  78.79579       2.767215  -1.151291      2.050049  
1 1 1 5  17 16 o 63.48704 0.8827562 40.42895       1.118922  40.94432       1.543234  39.85774       1.624695  0.8632851      1.765512  
1 1 1 5  17 17 o 44.48934 0.9371319 19.85300       0.8324549 19.68699       1.142500  20.04087       1.215418  -0.3879242     1.874264  
1 1 1 5  17 18 o 52.56139 0.9281961 27.00129       0.9544687 24.33478       1.207804  31.43595       1.557597  -6.685665      1.856392  
1 1 1 5  17 19 o 10.98410 2.673237  1.165831       0.7047747 1.005435       0.9205293 1.393025       1.095571  -1.440585      5.346474  
1 1 1 5  17 20 o 9.822236 2.520417  0.8436096      0.6423416 0.5712698      0.8566251 1.193444       0.9708817 -2.068024      5.040834  
1 1 1 5  17 21 o 7.825200 2.432800  -0.6725968E-01 0.7357846 -0.1336121     1.069905  -0.7719271E-02 1.013498  -0.2565622E-01 4.865600  
1 1 1 5  17 22 o 12.81224 2.918634  2.003932       0.8528540 2.145111       1.180332  1.849706       1.233671  0.8548765      5.837268  
1 1 1 5  17 23 o 11.72934 2.704157  1.697810       0.8122190 2.578160       1.099751  0.6413938      1.204714  5.101218       5.408313  
1 1 1 5  18 0  o 44.89317 1.219268  19.90946       1.081658  23.75425       1.650745  17.01658       1.431886  0.000000       0.000000  
1 1 1 5  18 1  o 413.7755 3.802789  1711.953       31.08201  1698.274       40.79612  1730.878       47.98751  -3.845032      7.605579  
1 1 1 5  18 2  o 105.0853 1.229565  110.9803       2.449151  112.1426       3.023924  108.7640       4.175637  1.612755       2.459129  
1 1 1 5  18 3  o 44.98114 1.076123  20.50986       0.9135593 21.09767       1.128431  19.39179       1.556308  1.898079       2.152245  
1 1 1 5  18 4  o 210.7752 1.968865  444.7405       8.221033  442.5785       12.50238  446.3874       10.91185  -0.9176025     3.937730  
1 1 1 5  18 5  f 351.1742 4.766770  1225.441       26.41797  1257.320       60.48975  1217.927       29.36666  4.845764       9.533541  
1 1 1 5  18 6  o 76.63155 0.8573460 58.70388       1.313655  60.43024       1.881115  57.06057       1.835308  2.198318       1.714692  
1 1 1 5  18 7  o 131.0366 1.437981  174.5347       3.658408  184.5581       4.722932  159.4988       5.784545  9.576172       2.875962  
1 1 1 5  18 8  o 42.04070 0.9486903 17.69156       0.7903188 17.76772       1.050049  17.59204       1.200323  0.2106972      1.897381  
1 1 1 5  18 9  o 113.6614 1.150236  129.3327       2.592455  128.7155       3.926511  129.8096       3.451768  -0.4895248     2.300472  
1 1 1 5  18 10 o 68.91894 1.056075  44.45963       1.317408  40.77916       1.534186  54.79303       2.570677  -10.14589      2.112149  
1 1 1 5  18 11 o 101.1950 1.041063  102.4730       2.034112  102.4431       2.561874  102.5241       3.345986  -0.1963043E-01 2.082125  
1 1 1 5  18 12 o 43.65405 1.020541  19.09558       0.8796486 19.21928       1.157374  18.92639       1.353560  0.3410797      2.041082  
1 1 1 5  18 13 o 60.59322 1.438764  36.45837       1.457881  37.39346       3.086445  36.18983       1.654031  0.9254608      2.877529  
1 1 1 5  18 14 o 98.03725 1.036438  96.26255       2.029977  96.28399       2.806305  96.23904       2.940003  0.2996826E-01  2.072876  
1 1 1 5  18 15 o 76.48274 0.9363571 58.57477       1.426357  58.21685       1.928423  59.00711       2.119426  -0.5024338     1.872714  
1 1 1 5  18 16 o 72.36078 1.004200  52.23079       1.405446  51.40648       1.768094  53.64557       2.316352  -1.488991      2.008400  
1 1 1 5  18 17 f 9.651476 2.488179  0.7977843      0.6289968 1.002525       0.8187649 0.5029481      0.9825338 1.002097       4.976358  
1 1 1 5  18 18 o 20.29830 1.658467  4.199556       0.6706851 4.347383       0.9196647 4.031625       0.9802120 0.7990322      3.316935  
1 1 1 5  18 19 o 6.903318 2.160912  -0.2595844     0.5975057 -0.5078129     0.8510957 -0.1834131E-01 0.8390347 -0.8619847     4.321824  
1 1 1 5  18 20 o 13.94307 2.335886  2.152383       0.6428733 2.389491       0.8844367 1.886776       0.9360802 1.759911       4.671772  
1 1 1 5  18 21 o 14.08913 2.435951  2.364156       0.7044449 3.051253       0.9482068 1.517777       1.052390  5.021148       4.871901  
1 1 1 5  18 22 o 24.04254 1.816228  6.398003       0.8479351 7.156668       1.126308  5.405465       1.288268  3.898865       3.632457  
1 1 1 5  18 23 f 14.24365 2.897518  2.680925       0.8593618 3.281695       1.354709  2.276388       1.111659  2.362860       5.795037  
1 1 1 5  19 0  o 9.232128 3.424478  1.246197       0.8253934 1.188169       1.206864  1.297192       1.131356  0.000000       0.000000  
1 1 1 5  19 1  o 173.4157 1.761072  300.5802       6.104180  307.8850       8.822866  293.8732       8.454162  4.037277       3.522144  
1 1 1 5  19 2  o 128.1255 1.265627  164.2153       3.212077  164.0351       4.891770  164.3518       4.258842  -0.1270447     2.531254  
1 1 1 5  19 3  o 172.5272 1.637756  297.9345       5.597696  299.0514       7.430555  296.4689       8.511833  0.7564697      3.275512  
1 1 1 5  19 4  o 233.1826 2.457272  545.4467       10.84164  540.4445       18.60322  548.0194       13.34146  -1.690781      4.914544  
1 1 1 5  19 5  o 148.3152 1.327751  220.0082       3.937982  222.6234       5.625897  217.4959       5.514081  1.727493       2.655503  
1 1 1 5  19 6  o 171.9270 1.512349  295.6632       5.199111  299.9412       7.448917  291.5995       7.260026  2.423447       3.024698  
1 1 1 5  19 7  o 109.9258 1.205322  120.8602       2.649502  119.2269       3.706866  122.5662       3.788386  -1.517784      2.410644  
1 1 1 5  19 8  o 171.0435 1.624595  292.6246       5.497167  294.4704       8.430009  291.2590       7.250887  0.9121857      3.249190  
1 1 1 5  19 9  o 120.1633 1.114415  144.4261       2.677658  146.8855       3.835945  142.0890       3.739457  1.994003       2.228831  
1 1 1 5  19 10 o 33.97794 1.151626  11.41472       0.7510700 11.07455       0.9320399 12.04472       1.268398  -1.419212      2.303252  
1 1 1 5  19 11 o 86.72327 1.419446  75.43790       1.863360  75.50205       2.049872  75.13268       4.470976  0.2941666      2.838891  
1 1 1 5  19 12 o 120.4379 1.175933  145.6323       2.755460  147.0068       3.519919  143.4568       4.428225  1.506279       2.351866  
1 1 1 5  19 13 f 107.7198 1.484300  116.0373       3.187564  113.2358       4.316335  119.3980       4.727458  -2.838310      2.968601  
1 1 1 5  19 14 o 83.18973 1.088675  69.34562       1.811293  69.03777       2.551524  69.65836       2.571705  -0.3716431     2.177349  
1 1 1 5  19 15 o 139.3649 1.297606  194.7670       3.611066  189.8202       4.945074  200.4186       5.285548  -3.761444      2.595211  
1 1 1 5  19 16 o 78.94878 1.110782  62.39318       1.688618  63.29232       2.804474  61.88181       2.114980  0.8040390      2.221565  
1 1 1 5  19 17 o 42.40453 1.345492  18.34922       1.120035  16.98191       1.720902  19.35404       1.475257  -2.856888      2.690984  
1 1 1 5  19 18 o 42.02422 1.117918  17.99744       0.9072289 18.61036       1.154018  17.00574       1.467917  1.986595       2.235836  
1 1 1 5  19 19 o 31.39243 1.154436  9.928474       0.7215528 9.638021       0.9695068 10.28912       1.080324  -1.000557      2.308873  
1 1 1 5  19 20 o 44.80700 1.044897  20.45898       0.9192724 21.12553       1.203045  19.52369       1.425068  1.877026       2.089793  
1 1 1 5  19 21 o 21.94264 1.901311  5.076456       0.7993258 4.904911       0.9914698 5.394988       1.351036  -0.6600990     3.802623  
1 1 1 5  19 22 o 10.29035 2.773701  1.106591       0.7880390 0.8959227      1.050748  1.377415       1.191360  -1.362300      5.547402  
1 1 1 5  19 23 o 8.749132 2.554714  0.6783267      0.7295986 0.8401039      1.007687  0.5000758      1.057749  0.6473761      5.109428  
1 1 1 5  20 0  o 425.7094 5.137549  1816.854       43.71267  1825.163       62.06362  1808.675       61.57734  0.000000       0.000000  
1 1 1 5  20 1  o 178.2560 1.691746  317.3817       5.954442  320.9011       9.207563  314.8519       7.806518  1.685989       3.383492  
1 1 1 5  20 2  o 357.2650 3.731687  1280.412       25.17551  1273.789       43.41291  1283.767       30.90227  -1.615448      7.463374  
1 1 1 5  20 3  o 153.6835 2.182052  232.3478       5.249386  242.8386       12.21139  229.9697       5.813996  4.114731       4.364104  
1 1 1 5  20 4  o 273.0169 2.533617  744.8848       13.65282  755.1303       21.15405  737.5704       17.87382  3.158264       5.067235  
1 1 1 5  20 5  o 120.4347 1.299695  144.8681       3.127091  149.9256       4.555016  140.3595       4.300684  3.968727       2.599389  
1 1 1 5  20 6  o 182.6378 1.847447  333.8835       6.748233  334.6597       9.563915  333.1138       9.523099  0.4224548      3.694895  
1 1 1 5  20 7  o 78.65111 0.9420624 61.89406       1.464501  61.97474       1.929693  61.78446       2.249018  0.1247559      1.884125  
1 1 1 5  20 8  o 40.38071 0.9402331 16.31351       0.7591844 16.38542       1.064058  16.23896       1.083504  0.1816177      1.880466  
1 1 1 5  20 9  o 94.91942 0.9586994 90.13851       1.819943  89.81308       2.563580  90.46918       2.584120  -0.3452454     1.917399  
1 1 1 5  20 10 o 103.1258 1.218634  107.1758       2.279408  108.1759       2.710459  104.7599       4.212661  1.700974       2.437268  
1 1 1 5  20 11 o 90.19684 1.035132  81.55883       1.851413  82.52222       2.470546  80.32475       2.796171  1.227028       2.070265  
1 1 1 5  20 12 o 54.75838 0.9776058 30.01232       1.055763  30.01715       1.382731  30.00558       1.634899  0.1860809E-01  1.955212  
1 1 1 5  20 13 o 65.57343 1.167158  43.26068       1.515137  41.59411       2.288156  44.56197       2.021914  -2.275452      2.334316  
1 1 1 5  20 14 o 23.43955 1.715426  5.568451       0.7956374 5.899950       1.070912  5.160031       1.188684  1.591454       3.430851  
1 1 1 5  20 15 o 37.62601 1.294060  13.46734       0.9201829 12.08579       1.107942  16.53934       1.652126  -5.847652      2.588119  
1 1 1 5  20 16 o 26.50347 1.435204  7.145448       0.7513362 7.619042       1.008563  6.554880       1.126251  2.029293       2.870409  
1 1 1 5  20 17 o 32.13145 1.144974  10.40486       0.7352160 10.88969       1.040639  9.921691       1.038868  1.505907       2.289948  
1 1 1 5  20 18 o 13.94726 2.715786  2.118625       0.7732798 2.201435       0.9913028 1.989917       1.235865  0.6420116      5.431572  
1 1 1 5  20 19 f 20.25326 1.657417  4.220530       0.6668044 4.324015       0.8994375 4.094247       0.9935832 0.6192780      3.314834  
1 1 1 5  20 20 o 14.64052 2.321423  2.267505       0.6566947 1.810876       0.8456590 2.961152       1.042276  -3.634699      4.642845  
1 1 1 5  20 21 o 20.35197 1.775695  4.301219       0.7148657 3.738116       0.9321659 5.105256       1.113876  -3.137897      3.551390  
1 1 1 5  20 22 o 17.43738 2.248728  3.468098       0.7661443 3.128609       1.034491  3.880504       1.140188  -2.206182      4.497456  
1 1 1 5  21 0  o 150.5776 2.325161  228.9770       6.685186  220.8524       11.14357  233.5451       8.355813  0.000000       0.000000  
1 1 1 5  21 1  o 305.9106 3.381316  935.3074       20.20209  947.5978       32.35335  927.4528       25.86403  3.171234       6.762631  
1 1 1 5  21 2  o 287.5665 2.844896  827.9964       16.36004  835.7737       23.35213  820.4998       22.92691  2.648193       5.689792  
1 1 1 5  21 3  o 112.1915 1.149566  126.1099       2.558775  127.5903       3.420281  124.2282       3.856102  1.501984       2.299133  
1 1 1 5  21 4  o 105.5270 1.181398  111.3961       2.493386  111.6409       3.527283  111.1517       3.525077  0.2317734      2.362796  
1 1 1 5  21 5  o 247.4269 2.132302  612.8347       10.55023  619.6144       15.07742  606.3305       14.76795  2.678101       4.264605  
1 1 1 5  21 6  o 44.94225 0.9098948 20.20911       0.8174509 19.45055       1.154818  20.97091       1.157286  -1.691429      1.819790  
1 1 1 5  21 7  o 107.4622 1.120791  115.7205       2.385386  116.8726       3.168807  114.2140       3.623652  1.244194       2.241581  
1 1 1 5  21 8  o 58.01891 0.8874372 33.72318       1.021291  34.06551       1.363526  33.28570       1.541429  0.6746712      1.774874  
1 1 1 5  21 9  o 181.8595 1.969177  330.1305       6.701656  327.6649       8.134528  335.3396       11.82360  -1.959930      3.938354  
1 1 1 5  21 10 o 155.5148 1.495122  242.6107       4.615666  245.4488       6.182362  239.0365       6.937839  2.089920       2.990243  
1 1 1 5  21 11 o 11.87818 2.519769  1.495891       0.6958513 2.048260       0.8491393 0.3665425      1.214167  4.259357       5.039537  
1 1 1 5  21 12 o 50.36840 1.011714  25.28564       0.9982403 24.86684       1.282841  25.92849       1.589350  -1.043339      2.023428  
1 1 1 5  21 13 o 59.74426 0.9922114 35.60083       1.167693  34.95236       1.518264  36.53984       1.827001  -1.313847      1.984423  
1 1 1 5  21 14 o 41.49026 1.074369  17.26758       0.8906550 18.08699       1.256918  16.44121       1.262252  1.983738       2.148738  
1 1 1 5  21 15 o 43.49400 1.189883  19.07365       1.029025  18.17054       1.518125  19.84127       1.399611  -1.935429      2.379765  
1 1 1 5  21 16 o 29.74054 1.426326  9.004944       0.8388683 8.150845       1.244898  9.715322       1.135335  -2.651987      2.852651  
1 1 1 5  21 17 o 47.71865 1.012944  22.72086       0.9567080 21.65688       1.253392  24.20607       1.480857  -2.621334      2.025889  
1 1 1 5  21 18 o 40.04169 1.069169  16.25636       0.8494471 16.93587       1.146730  15.43013       1.264483  1.914402       2.138338  
1 1 1 5  21 19 o 34.87126 1.227943  12.40074       0.8393859 12.59733       1.089696  12.11390       1.316293  0.7970314      2.455887  
1 1 1 5  21 20 o 37.95990 1.166724  14.57789       0.8784470 15.75692       1.349502  13.71098       1.157179  2.571136       2.333448  
1 1 1 5  21 21 o 18.77733 2.728585  4.523828       0.9104937 3.280634       1.683126  5.038125       1.082565  -5.886262      5.457170  
1 1 1 5  21 22 o 22.33900 1.970457  5.408943       0.8700113 6.572741       1.354836  4.592281       1.134930  3.999453       3.940914  
1 1 1 5  22 0  o 329.6458 4.906747  1085.786       30.25409  1076.633       36.73704  1105.079       53.33264  0.000000       0.000000  
1 1 1 5  22 1  o 133.4477 1.320350  178.0045       3.482980  177.2092       4.584146  179.0905       5.357025  -0.6972504     2.640701  
1 1 1 5  22 2  o 252.7191 2.175867  639.3106       10.99715  643.2257       15.64426  635.4862       15.46197  1.528076       4.351734  
1 1 1 5  22 3  o 107.1498 1.035013  114.8257       2.217854  113.6730       3.112613  116.0146       3.160985  -1.092232      2.070026  
1 1 1 5  22 4  o 184.1212 1.746433  339.2229       6.363950  339.7292       9.731664  338.8446       8.411871  0.2182007      3.492867  
1 1 1 5  22 5  f 118.6588 1.118797  140.8521       2.655040  141.2853       3.769852  140.4258       3.739915  0.3617783      2.237594  
1 1 1 5  22 6  o 318.3750 2.947107  1017.361       18.57823  1019.551       24.61261  1014.460       28.32370  0.9475708      5.894214  
1 1 1 5  22 7  o 151.6573 1.669531  229.9049       4.756231  229.1952       5.799527  231.3629       8.312033  -0.6512299     3.339062  
1 1 1 5  22 8  o 97.73524 1.078269  95.77352       2.079301  96.78539       2.733566  94.38416       3.203084  1.237953       2.156539  
1 1 1 5  22 9  f 127.7022 1.358187  163.2298       3.468083  166.0531       4.969785  160.5499       4.841934  2.150368       2.716374  
1 1 1 5  22 10 o 139.9280 1.564648  193.8717       4.079049  202.3830       7.305079  190.0156       4.916996  4.323990       3.129295  
1 1 1 5  22 11 f 59.63063 0.9819345 35.84310       1.158881  37.66894       1.555789  33.56733       1.736943  3.444763       1.963869  
1 1 1 5  22 12 o 62.97234 1.021814  39.82625       1.278770  40.96358       1.728683  38.45176       1.900394  2.000767       2.043628  
1 1 1 5  22 13 o 43.76040 1.105615  19.19290       0.9490726 19.20668       1.228143  19.17247       1.495343  0.5677414E-01  2.211230  
1 1 1 5  22 14 o 36.67187 1.081381  13.70070       0.7463050 14.14756       0.9204168 12.84305       1.275132  1.811966       2.162762  
1 1 1 5  22 15 o 50.72285 1.083943  25.79717       1.097175  26.16832       1.611115  25.47618       1.498300  0.6689873      2.167886  
1 1 1 5  22 16 o 49.41407 1.167250  24.52525       1.152128  23.10898       1.585733  26.10884       1.676787  -3.016388      2.334500  
1 1 1 5  22 17 o 20.77618 2.274794  4.923929       0.8388849 6.032620       1.075328  3.200080       1.340865  7.217800       4.549588  
1 1 1 5  22 18 o 19.60320 1.951663  3.962164       0.7504938 3.962403       0.9721243 3.961812       1.180755  0.1182823      3.903326  
1 1 1 5  22 19 o 22.00298 1.705755  4.906463       0.7442898 4.356420       0.9788585 5.660320       1.145950  -2.858843      3.411511  
1 1 1 5  22 20 o 8.055788 2.449707  0.1058523      0.7085086 -0.2167525E-01 0.9487101 0.2666718      1.065371  -0.9512053     4.899414  
1 1 1 5  22 21 o 12.23716 2.917381  1.789674       0.8468593 1.728385       1.201571  1.850167       1.193748  -0.3349495     5.834761  
1 1 1 5  22 22 o 9.529066 2.694594  0.8126861      0.7992369 0.3302304      1.159158  1.249908       1.103480  -1.903185      5.389188  
1 1 1 5  23 0  o 28.39458 1.728747  8.236104       0.9656079 8.970173       1.388652  7.548881       1.343613  0.000000       0.000000  
1 1 1 5  23 1  o 183.4360 1.612522  336.6263       5.914898  340.8275       8.459712  332.6083       8.273264  2.237701       3.225045  
1 1 1 5  23 2  o 236.2901 2.042286  558.8094       9.649867  565.6822       13.79916  552.2317       13.49971  2.840515       4.084573  
1 1 1 5  23 3  o 141.5573 1.388712  200.7561       3.898894  202.5782       5.202071  198.4206       5.889414  1.478058       2.777425  
1 1 1 5  23 4  o 105.9042 1.197350  112.2084       2.536083  112.0550       3.582358  112.3625       3.590781  -0.1450577     2.394700  
1 1 1 5  23 5  o 244.2753 2.109148  596.4676       10.28799  618.7698       15.06978  577.0001       14.07947  8.521942       4.218296  
1 1 1 5  23 6  o 54.57424 0.8534870 29.78117       0.9313205 30.75737       1.330435  28.84319       1.304131  1.753407       1.706974  
1 1 1 5  23 7  o 200.0447 1.890285  399.7275       7.452651  394.1862       9.711996  407.6639       11.62280  -3.304825      3.780571  
1 1 1 5  23 8  o 232.2368 2.012772  540.6116       9.348029  545.8444       13.32457  535.5399       13.11807  2.209503       4.025544  
1 1 1 5  23 9  o 60.45849 1.027398  36.68993       1.237921  38.26661       1.704655  34.93065       1.800655  2.761349       2.054796  
1 1 1 5  23 10 o 64.91458 0.8752921 42.16421       1.136356  42.57442       1.609718  41.75670       1.604396  0.6297073      1.750584  
1 1 1 5  23 11 o 148.0728 1.353557  219.0486       4.001703  209.9588       5.467991  229.5317       5.872122  -6.590927      2.707114  
1 1 1 5  23 12 o 70.87331 0.9632362 50.70786       1.312550  51.87597       1.653735  48.71942       2.157646  2.247002       1.926472  
1 1 1 5  23 13 o 65.85759 1.110231  40.73288       1.232315  38.59375       1.388963  48.64402       2.671112  -7.539101      2.220463  
1 1 1 5  23 14 o 15.19203 2.313763  2.105575       0.6486650 1.498696       0.7724574 3.557076       1.194627  -6.488944      4.627526  
1 1 1 5  23 15 o 51.05439 1.000223  26.11965       1.014699  25.82349       1.356276  26.49616       1.529246  -0.6369476     2.000445  
1 1 1 5  23 16 o 58.03239 1.058836  33.67581       1.186811  33.12508       1.490005  34.63160       1.962907  -1.206680      2.117671  
1 1 1 5  23 17 o 43.24674 1.134656  18.73192       0.9742236 19.84252       1.486030  17.89479       1.290160  2.201977       2.269312  
1 1 1 5  23 18 o 40.06180 1.150209  16.08717       0.9024931 15.58930       1.156118  16.86384       1.443987  -1.497078      2.300417  
1 1 1 5  23 19 o 18.02452 2.257640  3.516887       0.7832228 4.395458       1.119243  2.673815       1.096398  5.025030       4.515280  
1 1 1 5  23 20 o 23.39763 1.583168  5.622579       0.7333955 4.846047       0.9612952 6.704016       1.134431  -3.784742      3.166336  
1 1 1 5  23 21 o 19.59016 2.193895  4.419116       0.8096665 3.212738       1.149337  5.607624       1.140793  -6.402287      4.387790  
1 1 1 5  23 22 o 8.333220 2.538006  0.3968473      0.7680640 0.5059001      1.080682  0.2855355      1.091817  0.3833551      5.076013  
1 1 1 5  24 0  o 202.2691 2.501962  409.7741       10.11251  414.5797       14.47365  405.1909       14.13488  0.000000       0.000000  
1 1 1 5  24 1  o 215.2598 1.871593  463.6237       8.054570  456.2398       11.20785  471.5106       11.58319  -3.539764      3.743187  
1 1 1 5  24 2  o 79.63573 0.9050394 63.28576       1.439349  60.79596       1.971220  66.12933       2.106613  -3.347260      1.810079  
1 1 1 5  24 3  o 344.2643 2.947758  1188.370       20.29188  1174.272       28.34871  1203.183       29.05856  -4.173737      5.895516  
1 1 1 5  24 4  o 98.43885 0.9952201 96.92010       1.959033  95.99108       2.740519  97.89086       2.801469  -0.9641418     1.990440  
1 1 1 5  24 5  o 140.1308 1.277982  196.4539       3.581110  198.9554       5.120998  194.0598       5.009744  1.744705       2.555964  
1 1 1 5  24 6  o 191.8191 1.683186  368.4037       6.456886  371.7079       9.198427  365.1941       9.065848  1.694107       3.366371  
1 1 1 5  24 7  o 101.3887 1.263767  103.2424       2.398447  103.9018       2.921818  101.8801       4.199641  1.028419       2.527533  
1 1 1 5  24 8  o 82.20673 0.9819069 67.13743       1.588105  65.03367       2.053360  70.26916       2.505303  -3.173164      1.963814  
1 1 1 5  24 9  o 159.5739 1.749076  254.8503       5.271809  256.3013       9.110676  254.1200       6.463858  0.5652008      3.498151  
1 1 1 5  24 10 o 48.98994 1.108893  23.43779       1.000436  25.52641       1.847923  22.57181       1.189897  2.993076       2.217787  
1 1 1 5  24 11 o 67.27991 0.8687896 45.30239       1.168898  45.46568       1.641915  45.13458       1.664458  0.2467499      1.737579  
1 1 1 5  24 12 o 79.33368 1.154226  63.74079       1.630274  64.57417       1.917645  61.56838       3.096135  1.963646       2.308452  
1 1 1 5  24 13 o 62.22804 0.9594094 38.02212       1.136329  36.38620       1.392140  41.28794       1.966972  -3.898029      1.918819  
1 1 1 5  24 14 o 32.16702 1.265988  10.23921       0.7845274 9.836196       0.9765074 10.97289       1.317564  -1.721676      2.531977  
1 1 1 5  24 15 o 32.77818 1.512038  10.80493       0.9885806 11.98264       1.437912  9.749282       1.361355  3.391243       3.024077  
1 1 1 5  24 16 o 31.24625 1.442630  9.521696       0.8752711 8.478492       1.091335  11.40255       1.465383  -4.564308      2.885259  
1 1 1 5  24 17 o 22.64677 1.766481  5.271422       0.7929868 5.521219       1.069566  4.966499       1.181707  1.273447       3.532961  
1 1 1 5  24 18 o 26.21640 1.482967  7.065431       0.7718031 7.773526       1.069857  6.297009       1.114500  2.838169       2.965934  
1 1 1 5  24 19 o 46.34996 1.096793  21.88171       1.007164  22.71220       1.351297  20.84374       1.510685  2.083626       2.193587  
1 1 1 5  24 20 o 17.51356 2.051068  3.134881       0.6818154 2.514805       0.8442895 4.297425       1.156043  -4.890593      4.102136  
1 1 1 5  24 21 f 10.09664 2.703210  1.081677       0.7530652 1.238438       1.037254  0.9069479      1.095088  0.7740154      5.406420  
1 1 1 5  24 22 o 9.252079 2.703732  0.7911016      0.8147807 0.4992963      1.103703  1.140592       1.207878  -1.463235      5.407465  
1 1 1 5  25 0  o 136.7379 1.779027  187.2329       4.860690  188.9196       6.950787  185.6186       6.799808  0.000000       0.000000  
1 1 1 5  25 1  o 155.3036 1.395528  241.3035       4.333842  238.5830       6.060536  244.1503       6.199794  -1.789948      2.791056  
1 1 1 5  25 2  f 103.2542 1.029222  106.6531       2.125368  106.2529       2.992147  107.0606       3.019486  -0.3907547     2.058444  
1 1 1 5  25 3  o 134.0044 1.234870  179.6476       3.309033  177.9442       4.630634  181.4251       4.730317  -1.297073      2.469739  
1 1 1 5  25 4  o 145.7938 1.322294  212.7149       3.855640  213.0247       5.451689  212.4048       5.453708  0.2126465      2.644588  
1 1 1 5  25 5  o 93.46848 0.9651577 87.39207       1.804126  88.66834       2.566250  86.14489       2.536842  1.349411       1.930315  
1 1 1 5  25 6  o 123.6829 1.259023  153.5108       3.087718  156.3722       4.127534  149.8746       4.652907  2.639412       2.518047  
1 1 1 5  25 7  o 65.85043 1.044577  42.74201       1.288660  41.58348       1.558535  45.24582       2.291209  -2.762512      2.089154  
1 1 1 5  25 8  o 43.42319 1.050057  19.04110       0.9036566 16.99456       1.320349  20.84443       1.239414  -4.435085      2.100113  
1 1 1 5  25 9  o 92.94737 1.186100  87.29720       2.108929  83.66653       3.504411  89.35861       2.640610  -3.090630      2.372200  
1 1 1 5  25 10 o 98.75644 1.079061  97.85676       2.117540  99.71192       2.852855  95.58072       3.159942  2.102654       2.158123  
1 1 1 5  25 11 f 117.6991 1.214673  139.1498       2.838431  142.2087       3.815053  135.3571       4.248063  2.931587       2.429346  
1 1 1 5  25 12 o 56.39529 0.9888184 31.97456       1.067796  32.25961       1.333377  31.46492       1.782917  0.7329445      1.977637  
1 1 1 5  25 13 o 39.21091 1.162946  15.31263       0.8930843 14.87552       1.144336  15.99371       1.428405  -1.395382      2.325893  
1 1 1 5  25 14 o 32.27441 1.184018  10.20030       0.7179378 9.732572       0.8673262 11.21829       1.279558  -2.248434      2.368036  
1 1 1 5  25 15 o 39.12799 1.181533  15.62921       0.8119060 15.87133       0.9485222 14.96558       1.570338  1.281525       2.363066  
1 1 1 5  25 16 o 10.66361 2.768567  0.9159049      0.8008155 0.3856382      1.135743  1.440203       1.129333  -2.633019      5.537135  
1 1 1 5  25 17 o 23.94669 1.710559  5.877945       0.8142920 5.952700       1.097588  5.786430       1.214420  0.4038792      3.421117  
1 1 1 5  25 18 o 36.68681 1.375490  13.67599       0.9704512 13.54579       1.213924  13.90653       1.615387  -0.2893906     2.750980  
1 1 1 5  25 19 o 32.40423 1.634590  10.67613       0.9987637 10.17527       1.212438  11.73359       1.761699  -1.914078      3.269181  
1 1 1 5  25 20 o 26.15966 1.773485  7.311524       0.9267996 7.544120       1.296121  7.068166       1.325767  0.9495239      3.546969  
1 1 1 5  25 21 o 12.82536 2.934191  2.104929       0.8567007 2.263799       1.253542  1.965693       1.173528  0.7728939      5.868383  
1 1 1 5  26 0  o 13.45895 3.705013  2.487534       0.9786825 3.065993       1.395889  1.928267       1.372538  0.000000       0.000000  
1 1 1 5  26 1  o 130.2153 1.211907  169.5854       3.155086  166.9180       4.392760  172.4277       4.534549  -2.113159      2.423814  
1 1 1 5  26 2  o 128.8245 1.200595  166.0384       3.093124  167.7307       4.404830  164.3922       4.344468  1.294678       2.401190  
1 1 1 5  26 3  o 308.4716 2.649732  954.1450       16.34285  941.3728       22.79324  967.6580       23.44510  -4.233826      5.299464  
1 1 1 5  26 4  o 197.4495 1.730434  390.2737       6.831274  384.5354       9.516684  396.3733       9.811838  -2.988922      3.460868  
1 1 1 5  26 5  o 147.8803 1.651608  219.0302       4.589966  219.0699       5.603741  218.9493       8.001119  0.1155701      3.303216  
1 1 1 5  26 6  o 159.5428 1.430786  254.8571       4.565156  256.9281       6.499907  252.8411       6.413177  1.277954       2.861573  
1 1 1 5  26 7  o 54.04399 1.190925  29.42385       1.253977  28.38638       1.996382  30.09990       1.611562  -1.596710      2.381851  
1 1 1 5  26 8  o 19.54025 1.685854  3.831077       0.6541203 4.444541       0.9397024 3.254399       0.9110925 3.044081       3.371708  
1 1 1 5  26 9  o 121.8072 1.159528  148.3515       2.821812  144.4873       3.884846  152.6673       4.105586  -3.349640      2.319056  
1 1 1 5  26 10 o 28.59109 1.498984  8.037180       0.8287290 7.617600       1.034359  8.789356       1.384918  -2.030632      2.997968  
1 1 1 5  26 11 o 66.11021 0.8880143 43.70416       1.173431  45.29043       1.695291  42.24517       1.625850  2.300072       1.776029  
1 1 1 5  26 12 o 79.07539 1.035972  62.70456       1.621138  62.98365       2.145339  62.33306       2.475135  0.4344864      2.071944  
1 1 1 5  26 13 o 30.79898 1.297755  9.345642       0.7609624 8.949991       0.9327974 10.13282       1.315736  -1.869843      2.595510  
1 1 1 5  26 14 o 58.41389 1.375945  31.95765       1.257347  30.62074       1.383095  38.32319       3.017989  -6.313023      2.751889  
1 1 1 5  26 15 o 24.43881 1.636290  4.943723       0.7130814 3.736748       0.8137037 8.938609       1.480367  -10.43939      3.272579  
1 1 1 5  26 16 o 25.52333 1.629583  6.319661       0.8108314 4.809751       1.034676  8.722639       1.305280  -7.568209      3.259165  
1 1 1 5  26 17 f 19.56906 2.224439  4.222782       0.8040295 4.847039       1.040587  3.297947       1.266568  4.396667       4.448879  
1 1 1 5  26 18 o 16.55746 2.537539  3.038526       0.8466811 4.268623       1.204089  1.835438       1.190797  7.240008       5.075078  
1 1 1 5  26 19 o 56.15169 1.350518  32.65174       1.476570  33.08159       1.893405  31.98458       2.358859  1.361450       2.701035  
1 1 1 5  26 20 o 11.19815 2.670810  1.399027       0.7621191 2.066492       1.038363  0.6195685      1.122100  3.883307       5.341619  
1 1 1 5  26 21 o 18.45470 2.431549  4.056115       0.8569272 4.303079       1.120326  3.707901       1.330302  2.421019       4.863098  
1 1 1 5  27 0  o 46.86842 1.607298  22.33947       1.406672  21.52994       2.430083  22.74743       1.725071  0.000000       0.000000  
1 1 1 5  27 1  o 146.5827 1.335866  214.9682       3.915428  218.3534       5.609928  211.7530       5.467328  2.248337       2.671733  
1 1 1 5  27 2  o 78.97736 0.9875235 61.86567       1.534191  59.58131       1.980753  65.29118       2.425547  -3.607414      1.975047  
1 1 1 5  27 3  o 120.1193 1.231126  143.7091       2.913354  140.5382       3.785841  148.3137       4.562100  -3.219162      2.462252  
1 1 1 5  27 4  o 100.0607 1.259938  98.53255       2.324689  95.99187       2.774435  104.5197       4.259007  -4.225021      2.519876  
1 1 1 5  27 5  o 67.89503 0.9668238 46.19239       1.303559  45.54943       1.956553  46.70561       1.748040  -0.8561325     1.933648  
1 1 1 5  27 6  o 63.00950 1.151073  39.93951       1.416186  38.79315       2.245171  40.69699       1.825053  -1.522854      2.302145  
1 1 1 5  27 7  o 200.4541 2.029269  403.0252       8.135416  404.9628       11.53826  401.1096       11.47245  0.9576416      4.058538  
1 1 1 5  27 8  o 178.2631 1.583250  318.4431       5.644554  317.2350       7.948399  319.6722       8.017258  -0.6803284     3.166501  
1 1 1 5  27 9  f 12.16760 2.741929  1.463948       0.7591900 1.701350       1.022401  1.172156       1.133485  1.420324       5.483858  
1 1 1 5  27 10 o 31.54702 1.219654  9.944372       0.7682987 9.206859       1.059650  10.76180       1.115583  -2.461704      2.439308  
1 1 1 5  27 11 o 54.59196 0.9701414 29.96540       1.053623  28.59141       1.550961  31.14293       1.435792  -2.344040      1.940283  
1 1 1 5  27 12 o 26.26652 1.532765  6.885286       0.7600480 6.776870       0.9287010 7.105183       1.322627  -0.5720806     3.065529  
1 1 1 5  27 13 o 21.10336 1.773566  4.648127       0.6946260 4.948689       0.8544318 4.062290       1.192885  2.161585       3.547132  
1 1 1 5  27 14 o 8.846087 2.425424  0.4972104      0.6352970 0.8841473      0.7677613 -0.3430592     1.131398  1.650636       4.850847  
1 1 1 5  27 15 o 15.68280 2.344374  2.553704       0.6808192 2.395761       0.8325074 2.872621       1.182980  -1.249022      4.688748  
1 1 1 5  27 16 o 28.81677 1.503754  8.329789       0.8528284 7.881760       1.099423  9.006667       1.351346  -1.858988      3.007508  
1 1 1 5  27 17 o 27.68184 1.746129  7.709801       0.9224128 7.353459       1.133818  8.407279       1.586262  -1.657104      3.492257  
1 1 1 5  27 18 o 41.03836 1.231472  17.31964       0.9975415 19.85558       1.383696  14.57530       1.439427  6.459274       2.462945  
1 1 1 5  27 19 o 24.59504 2.480387  6.258517       1.091370  5.667827       1.263870  7.990244       2.164026  -3.215044      4.960774  
1 1 1 5  27 20 o 16.21087 2.457327  3.135961       0.7950951 4.124357       1.123808  2.145358       1.125062  6.142189       4.914653  
1 1 1 5  27 21 o 9.359968 2.785655  0.1417931      0.8748474 -0.7319102     1.052462  2.095227       1.573707  -5.662951      5.571311  
1 1 1 5  28 0  o 42.23154 1.710682  17.74952       1.350047  17.23688       1.640325  18.82590       2.376893  0.000000       0.000000  
1 1 1 5  28 1  o 159.9915 1.660997  256.2687       5.313710  260.0983       7.613723  252.6319       7.419484  2.327240       3.321995  
1 1 1 5  28 2  o 165.5326 2.460507  270.1957       6.849113  266.2859       7.776088  283.7242       14.46474  -4.956375      4.921013  
1 1 1 5  28 3  o 189.9860 1.814024  362.5302       6.845863  353.7785       10.23081  369.6259       9.212147  -4.209793      3.628049  
1 1 1 5  28 4  o 85.41043 1.034724  73.17760       1.747810  71.80139       2.665910  74.21508       2.314686  -1.421822      2.069447  
1 1 1 5  28 5  o 46.94151 1.054286  21.89843       0.9830024 23.31550       1.497203  20.82473       1.303242  2.647915       2.108573  
1 1 1 5  28 6  o 31.75951 1.281618  10.13566       0.8109179 9.259290       1.159572  10.97448       1.134462  -2.701097      2.563236  
1 1 1 5  28 7  o 63.01547 0.9756889 39.90879       1.220271  41.27140       1.644246  38.23812       1.820654  2.411724       1.951378  
1 1 1 5  28 8  o 93.66776 1.076809  87.47025       1.989282  85.72730       2.593435  89.96140       3.100538  -2.242195      2.153618  
1 1 1 5  28 9  o 46.20307 1.066430  21.43250       0.9721956 20.99491       1.494997  21.75315       1.279747  -0.8289261     2.132860  
1 1 1 5  28 10 o 119.7365 1.245524  143.9607       2.964344  141.2327       4.422450  146.1864       3.994560  -2.096581      2.491047  
1 1 1 5  28 11 o 77.88400 0.9153400 60.66764       1.424740  63.24350       2.063141  58.31942       1.969868  3.155388       1.830680  
1 1 1 5  28 12 o 33.15731 1.425599  11.62173       0.8532094 12.51647       1.031636  9.684964       1.517801  4.335999       2.851198  
1 1 1 5  28 13 o 38.91423 1.316045  15.37403       0.9253654 15.56648       1.098808  14.90460       1.716065  0.9473457      2.632090  
1 1 1 5  28 14 o 25.30313 1.504389  6.133751       0.7195373 5.501794       0.8666137 7.536262       1.291026  -3.902735      3.008778  
1 1 1 5  28 15 o 12.92251 2.581137  1.744182       0.6592019 1.694897       0.7908230 1.856400       1.193294  -0.6639767     5.162275  
1 1 1 5  28 16 o 26.77231 1.602955  7.436750       0.8383870 9.135770       1.177651  5.690724       1.193831  6.441208       3.205909  
1 1 1 5  28 17 f 32.74494 1.444588  10.95680       0.9454842 10.44714       1.326621  11.48290       1.347865  -1.570086      2.889175  
1 1 1 5  28 18 o 18.02283 2.625482  4.009276       0.9609694 1.551662       1.448288  5.942296       1.284448  -11.51304      5.250963  
1 1 1 5  28 19 o 19.92924 2.521717  4.283873       0.9218134 3.856298       1.108311  5.243498       1.660377  -2.155088      5.043434  
1 1 1 5  28 20 f 10.12920 2.848551  0.8937931      0.9261547 1.637208       1.240662  -0.4192711E-01 1.391908  3.002350       5.697103  
1 1 1 5  28 21 o 6.973043 2.314699  -0.7233354     0.8253878 -0.1742961     1.215631  -1.192944      1.124264  1.464806       4.629398  
1 1 1 5  29 0  o 121.6530 2.039734  148.4026       4.631499  148.5475       8.159801  148.3338       5.625497  0.000000       0.000000  
1 1 1 5  29 1  o 66.58530 0.9767692 43.85888       1.275109  46.84210       2.042239  41.95289       1.632389  3.662132       1.953538  
1 1 1 5  29 2  o 91.90174 0.9715992 84.51385       1.785789  85.32802       2.529345  83.70462       2.521647  0.8830414      1.943198  
1 1 1 5  29 3  o 150.9694 1.375770  227.8735       4.149379  221.1344       5.707269  235.4297       6.043360  -4.722794      2.751539  
1 1 1 5  29 4  f 227.3557 2.425247  520.8442       10.45421  513.4155       17.83352  524.7336       12.90390  -2.784683      4.850493  
1 1 1 5  29 5  o 66.70242 0.9754281 44.49187       1.293494  44.80675       1.941392  44.24049       1.734581  0.4192429      1.950856  
1 1 1 5  29 6  o 15.21692 2.462741  2.410834       0.7175924 2.395593       0.9113754 2.435696       1.164021  -0.9116459E-01 4.925482  
1 1 1 5  29 7  o 80.10670 1.093762  64.24058       1.752343  64.45412       2.483258  64.02877       2.473147  0.2651291      2.187523  
1 1 1 5  29 8  o 139.7271 1.406163  195.2666       3.878794  197.7980       6.004207  193.4536       5.081433  1.509247       2.812325  
1 1 1 5  29 9  o 71.17241 0.9289950 50.69199       1.321894  51.35118       1.899880  50.07343       1.840417  0.8951797      1.857990  
1 1 1 5  29 10 o 22.10340 1.702558  4.973277       0.7383199 6.077434       1.044063  3.868786       1.044221  4.996187       3.405115  
1 1 1 5  29 11 o 56.11428 0.9498790 31.64570       1.062683  32.95839       1.465955  30.19196       1.542701  2.471516       1.899758  
1 1 1 5  29 12 o 96.23384 1.253337  92.54301       2.236221  91.71755       2.691776  94.38173       4.017426  -1.211723      2.506674  
1 1 1 5  29 13 o 94.73009 1.062353  89.94386       1.936748  89.46729       2.425688  90.78197       3.216740  -0.5818863     2.124706  
1 1 1 5  29 14 o 37.50201 1.338349  14.24171       1.000956  13.16111       1.426518  15.28975       1.404863  -2.843796      2.676699  
1 1 1 5  29 15 o 30.34532 1.303540  8.794192       0.7370646 7.987422       0.8768656 10.73671       1.360633  -4.386269      2.607081  
1 1 1 5  29 16 o 37.68906 1.196101  14.64437       0.8659919 15.48075       1.101657  13.29173       1.401003  3.003559       2.392202  
1 1 1 5  29 17 o 23.00670 2.123158  5.733356       0.9060273 7.665637       1.289164  3.847424       1.273609  8.538342       4.246315  
1 1 1 5  29 18 o 25.56430 1.873534  6.826260       0.9441657 7.526982       1.490584  6.356730       1.220155  1.982279       3.747068  
1 1 1 5  29 19 o 12.02196 2.580027  1.654692       0.8328333 2.861820       1.074607  -0.1608632     1.317886  7.227476       5.160053  
1 1 1 5  29 20 o 11.07422 2.725223  1.389966       0.8290334 0.2888616      1.242623  2.273219       1.112930  -4.713410      5.450446  
1 1 1 5  30 0  o 11.36981 3.404365  1.813395       0.9612317 0.4346355      1.458770  2.871435       1.277891  0.000000       0.000000  
1 1 1 5  30 1  f 26.74328 1.541534  7.163043       0.8236936 7.187876       1.192721  7.140401       1.138900  0.8667564E-01  3.083069  
1 1 1 5  30 2  o 163.9058 1.899040  269.9095       6.124708  266.0969       9.523077  272.5988       7.998361  -2.055740      3.798079  
1 1 1 5  30 3  o 67.03334 1.171882  44.80416       1.540572  45.85769       2.443475  44.10907       1.984756  1.290672       2.343764  
1 1 1 5  30 4  o 136.4878 1.368617  185.6238       3.675057  181.5695       4.760775  191.6024       5.781218  -3.638367      2.737234  
1 1 1 5  30 5  o 128.2852 1.210943  164.5619       3.104067  160.1944       4.279989  169.4084       4.508551  -3.583191      2.421886  
1 1 1 5  30 6  f 97.17829 1.015552  94.48249       1.972959  93.14313       2.743291  95.91752       2.839569  -1.424316      2.031105  
1 1 1 5  30 7  o 117.7978 1.234463  139.2299       2.883580  141.0421       3.849264  136.9124       4.353041  1.774307       2.468926  
1 1 1 5  30 8  o 53.90508 0.9596410 29.06536       1.034145  27.98137       1.440849  30.21706       1.485161  -2.071999      1.919282  
1 1 1 5  30 9  o 48.84226 1.025460  23.80085       0.9972302 22.93274       1.338443  24.88410       1.495121  -1.987938      2.050921  
1 1 1 5  30 10 o 51.83270 1.181265  26.92410       1.133637  26.89185       1.365481  26.99562       2.033612  -0.4354858E-01 2.362529  
1 1 1 5  30 11 o 45.54456 0.9577526 20.80587       0.8720383 20.21196       1.237484  21.39173       1.229056  -1.296001      1.915505  
1 1 1 5  30 12 o 30.09472 1.378890  9.384094       0.7994776 10.37071       1.037277  7.940314       1.254788  4.073606       2.757780  
1 1 1 5  30 13 o 7.363109 2.348644  -0.4281648     0.6874042 -0.4379716     1.210036  -0.4234919     0.8352732 1.560018       4.697288  
1 1 1 5  30 14 o 18.80200 2.288952  4.507300       0.7092916 5.577207       0.8542051 2.131613       1.272870  9.395846       4.577905  
1 1 1 5  30 15 o 21.06752 3.019652  4.970422       0.7905912 5.017636       0.8369416 4.579230       2.409103  2.370876       6.039304  
1 1 1 5  30 16 o 30.46590 1.426818  9.638399       0.8003472 9.935659       0.9690524 9.000518       1.419543  1.748432       2.853636  
1 1 1 5  30 17 o 43.46906 1.277322  19.17159       1.108122  17.52287       1.526142  21.01009       1.611588  -3.969639      2.554643  
1 1 1 5  30 18 f 33.50033 1.441401  11.67872       0.9639007 11.80194       1.327662  11.54138       1.401670  0.4614258      2.882802  
1 1 1 5  30 19 o 8.388081 2.598153  0.1369195      0.8290328 0.7957330E-01  1.236192  0.1837918      1.117614  0.1538076      5.196306  
1 1 1 5  30 20 o 28.01097 1.819904  8.559688       1.003647  9.200794       1.582892  8.128654       1.297901  1.344343       3.639808  
1 1 1 5  31 0  o 80.25665 1.616220  64.65757       2.452623  64.71735       3.019759  64.54169       4.204080  0.000000       0.000000  
1 1 1 5  31 1  o 79.97675 1.009205  64.22026       1.603068  62.09054       2.390542  65.96056       2.160963  -2.425507      2.018409  
1 1 1 5  31 2  o 87.49124 0.9789653 76.59930       1.712736  76.41778       2.399189  76.78796       2.445833  -0.2103348     1.957931  
1 1 1 5  31 3  o 70.44397 1.000057  49.92665       1.400320  46.66611       2.055050  52.75274       1.913249  -4.324150      2.000115  
1 1 1 5  31 4  o 81.04572 0.9514188 65.73344       1.542073  65.59423       2.167804  65.87605       2.194075  -0.1731033     1.902838  
1 1 1 5  31 5  o 75.65924 0.9317293 57.22433       1.409074  59.42099       2.033735  55.19632       1.954111  2.789482       1.863459  
1 1 1 5  31 6  o 71.27068 0.9270663 50.82940       1.321034  50.52285       1.842709  51.15354       1.894830  -0.4407883     1.854133  
1 1 1 5  31 7  o 83.37375 1.019942  69.83839       1.694675  74.14879       2.351453  65.18005       2.444520  5.382362       2.039885  
1 1 1 5  31 8  o 77.97365 1.018992  61.03170       1.580017  62.25793       2.135900  59.54972       2.348109  1.748398       2.037983  
1 1 1 5  31 9  o 24.56638 1.814235  6.056021       0.8618057 6.009700       1.085991  6.134805       1.416315  -0.2154751     3.628470  
1 1 1 5  31 10 o 26.47335 1.357580  7.038134       0.7183403 7.400182       1.029398  6.694489       1.002893  1.329433       2.715160  
1 1 1 5  31 11 o 66.69395 0.9711979 44.59872       1.281023  44.66214       1.964166  44.55178       1.689893  0.5449677E-01  1.942396  
1 1 1 5  31 12 o 35.43933 1.156201  12.24132       0.7999199 14.36843       1.315338  10.99290       1.007680  4.714188       2.312403  
1 1 1 5  31 13 o 20.37650 1.549839  4.216194       0.6300179 3.925444       0.8986227 4.497259       0.8835288 -1.407644      3.099679  
1 1 1 5  31 14 o 55.72145 1.163533  30.80615       1.132569  30.28449       1.308789  32.36150       2.259911  -1.624741      2.327065  
1 1 1 5  31 15 o 36.06013 1.347269  12.12176       0.8386155 11.18070       0.9517221 15.39004       1.773624  -5.520962      2.694538  
1 1 1 5  31 16 o 36.30199 1.230923  12.92306       0.8328176 12.17566       0.9968239 14.65060       1.515497  -3.180286      2.461846  
1 1 1 5  31 17 o 33.71659 1.631871  12.03700       1.072616  13.03777       1.410390  10.66416       1.651893  3.728296       3.263742  
1 1 1 5  31 18 o 19.14218 2.661002  3.945396       0.9804397 2.794671       1.230215  5.948684       1.623180  -7.738723      5.322003  
1 1 1 5  31 19 f 9.956248 2.661688  0.8765786      0.8070832 1.769281       1.101154  -0.1596566     1.186381  4.095167       5.323375  
1 1 1 5  31 20 o 9.208313 2.792446  0.4855411      0.9453163 -0.2618729     1.266998  1.424057       1.419765  -2.991120      5.584893  
1 1 1 5  32 0  o 15.80942 3.521268  3.290032       1.077918  4.627658       1.510762  1.902969       1.538427  0.000000       0.000000  
1 1 1 5  32 1  o 86.91496 0.9700889 75.42519       1.683999  72.29829       2.308828  78.97953       2.461574  -3.839134      1.940178  
1 1 1 5  32 2  o 104.1088 1.058870  108.4887       2.204708  109.0173       3.130256  107.9684       3.105745  0.5029907      2.117739  
1 1 1 5  32 3  o 122.0661 1.265346  148.6294       3.047232  145.7468       3.976285  152.7313       4.743352  -2.829803      2.530692  
1 1 1 5  32 4  o 117.0076 1.229911  136.9917       2.849886  136.3109       3.770541  137.8989       4.352509  -0.6547470     2.459821  
1 1 1 5  32 5  o 88.48126 1.056060  78.58770       1.857674  80.49333       2.511631  76.28614       2.760225  2.386620       2.112120  
1 1 1 5  32 6  o 33.44603 1.215469  11.15599       0.8104200 10.63290       1.094087  11.79193       1.206330  -1.727272      2.430939  
1 1 1 5  32 7  o 23.24983 1.637769  5.416453       0.7608153 5.149434       1.049776  5.711875       1.104197  -1.204897      3.275538  
1 1 1 5  32 8  o 40.41281 1.411014  16.10641       1.084846  15.50239       1.329976  17.30731       1.875300  -2.183205      2.822028  
1 1 1 5  32 9  o 37.95246 1.083821  14.40231       0.8214197 15.43444       1.199192  13.48997       1.127450  2.554905       2.167643  
1 1 1 5  32 10 o 51.22763 0.9680887 26.31235       0.9847147 26.34261       1.484631  26.28858       1.315798  0.3564072E-01  1.936177  
1 1 1 5  32 11 o 20.79993 2.026165  4.949056       0.7252463 3.109020       1.192786  6.028308       0.9135047 -7.352154      4.052330  
1 1 1 5  32 12 o 10.43707 2.472839  1.064822       0.6077499 1.106960       0.8842849 1.027099       0.8366670 0.3476200      4.945679  
1 1 1 5  32 13 o 32.38396 1.147999  10.66940       0.7333826 11.28761       0.9781690 9.875767       1.108296  2.211409       2.295997  
1 1 1 5  32 14 o 8.175610 2.418985  0.5745370E-01  0.7095318 0.6547780      0.8633921 -1.185114      1.245268  1.894788       4.837970  
1 1 1 5  32 15 o 31.83346 1.397260  10.44736       0.8358973 10.74966       1.029367  9.862049       1.432341  1.560497       2.794519  
1 1 1 5  32 16 o 26.15904 1.679232  7.169973       0.8178883 7.378810       0.9997910 6.747462       1.422083  1.484486       3.358463  
1 1 1 5  32 17 o 41.33964 1.517944  17.28506       1.152617  16.53875       1.368854  19.10351       2.136731  -2.376659      3.035888  
1 1 1 5  32 18 o 11.08609 2.958211  1.226928       0.9221299 0.6212437      1.265347  1.912918       1.346621  -3.000705      5.916422  
1 1 1 5  32 19 o 14.62556 2.775918  2.702090       0.8516728 1.985062       1.194330  3.443941       1.214826  -4.277439      5.551836  
1 1 1 5  33 0  o 92.73434 1.429680  86.19318       2.648562  86.76659       3.775824  85.63773       3.716154  0.000000       0.000000  
1 1 1 5  33 1  o 19.11820 2.050202  3.737736       0.7582867 4.352376       1.079912  3.139953       1.065002  3.422529       4.100405  
1 1 1 5  33 2  o 62.48668 0.9437128 39.05157       1.178954  40.45586       1.691853  37.72598       1.643771  2.182842       1.887426  
1 1 1 5  33 3  o 128.5164 1.227368  165.3966       3.154606  164.2330       4.436396  166.5866       4.486602  -0.9135590     2.454736  
1 1 1 5  33 4  o 67.88687 0.9512875 45.98400       1.289412  49.69322       1.881283  42.69787       1.770742  5.148384       1.902575  
1 1 1 5  33 5  o 206.8976 1.824596  429.7416       7.550066  429.5040       10.66312  429.9804       10.69175  -0.1129608     3.649191  
1 1 1 5  33 6  o 37.54189 1.201514  13.84416       0.8869301 15.62283       1.418458  12.70232       1.136504  3.871555       2.403029  
1 1 1 5  33 7  o 66.27335 1.031090  43.53553       1.331438  42.00767       1.687515  46.05511       2.167048  -3.021431      2.062181  
1 1 1 5  33 8  o 28.76698 1.404330  8.309364       0.7952168 8.333197       1.240210  8.292725       1.036278  0.4713631E-01  2.808659  
1 1 1 5  33 9  o 113.2823 1.294505  128.9464       2.932869  128.8626       4.154461  129.0295       4.140980  -0.7543182E-01 2.589010  
1 1 1 5  33 10 o 72.19724 0.9967027 52.34851       1.416700  51.95943       2.202668  52.62301       1.850154  -0.4993057     1.993405  
1 1 1 5  33 11 o 19.87471 1.743676  4.028030       0.6823187 3.830439       1.047111  4.173841       0.8995091 -0.9019012     3.487352  
1 1 1 5  33 12 o 23.98969 1.471506  5.846895       0.7008817 6.021637       0.9448060 5.633057       1.045168  0.8394756      2.943011  
1 1 1 5  33 13 o 46.37611 0.9176242 21.61765       0.8509501 21.45157       1.189876  21.79152       1.217448  -0.3608894     1.835248  
1 1 1 5  33 14 o 36.62610 1.240864  13.51852       0.8777119 13.33702       1.102853  13.83208       1.449599  -0.5526772     2.481727  
1 1 1 5  33 15 o 28.72664 1.477762  8.482144       0.8044183 8.572582       0.9942526 8.310751       1.368723  0.6584854      2.955523  
1 1 1 5  33 16 o 26.95603 1.854098  7.248581       0.8516863 6.964414       0.9691451 8.212360       1.784805  -1.678255      3.708195  
1 1 1 5  33 17 o 20.17577 2.379869  4.607347       0.9218066 5.186098       1.263127  3.947914       1.348300  3.512363       4.759737  
1 1 1 5  33 18 o 6.809769 2.266129  -0.8760831     0.8041179 -0.8765823     1.141425  -0.8755913     1.133010  0.2790546E-01  4.532258  
1 1 1 5  33 19 o 10.00120 2.799171  1.012367       0.8607989 0.4222425      1.236107  1.567990       1.199428  -2.385854      5.598342  
1 1 1 5  34 0  o 100.0640 1.480648  100.3313       2.959383  98.88534       4.123792  101.8667       4.249436  0.000000       0.000000  
1 1 1 5  34 1  o 51.92999 1.001848  27.03253       1.038806  28.65318       1.463301  25.38596       1.474955  3.146221       2.003697  
1 1 1 5  34 2  o 95.13280 1.027164  90.57397       1.953714  89.50747       2.722596  91.70618       2.805192  -1.152420      2.054328  
1 1 1 5  34 3  o 210.6723 1.856527  445.1854       7.817478  455.9965       11.30089  435.2646       10.82559  4.884888       3.713054  
1 1 1 5  34 4  o 196.5416 1.742119  387.7792       6.847370  384.8546       9.607181  390.7988       9.761960  -1.499741      3.484238  
1 1 1 5  34 5  o 75.54161 0.9650239 57.07579       1.456345  55.63951       2.003405  58.68530       2.120769  -2.009422      1.930048  
1 1 1 5  34 6  o 36.34345 1.432508  13.25818       1.040343  13.25099       1.441422  13.26601       1.503045  -0.1491165E-01 2.865015  
1 1 1 5  34 7  o 37.35204 1.198816  14.09102       0.8805934 14.55597       1.156059  13.44837       1.359136  1.501877       2.397632  
1 1 1 5  34 8  o 33.00288 1.279189  10.84982       0.8387408 11.71707       1.277833  10.19335       1.111750  2.287418       2.558379  
1 1 1 5  34 9  o 63.10592 0.9780697 40.12864       1.220272  41.29967       1.621717  38.60024       1.852709  2.162865       1.956139  
1 1 1 5  34 10 o 49.28979 0.9840294 24.15589       0.9629170 26.19524       1.473247  22.63495       1.272289  3.585560       1.968059  
1 1 1 5  34 11 o 24.75797 1.520615  6.353823       0.7329913 7.660210       1.009178  4.895092       1.066399  5.599804       3.041230  
1 1 1 5  34 12 o 35.90011 1.048624  12.89483       0.7505413 14.32523       1.109229  11.68692       1.019313  3.654663       2.097248  
1 1 1 5  34 13 o 20.70596 1.568131  4.377889       0.6428983 4.468729       0.8565006 4.260660       0.9729897 0.5493393      3.136261  
1 1 1 5  34 14 o 37.96051 0.9841949 14.52410       0.7470289 14.41231       1.043372  14.64169       1.070050  -0.2943687     1.968390  
1 1 1 5  34 15 o 11.46067 2.648226  1.324129       0.8157387 2.238128       1.029856  -0.2149438     1.336390  5.438587       5.296451  
1 1 1 5  34 16 o 22.53053 1.928133  5.636789       0.7856571 6.064777       0.9554115 4.742948       1.380718  3.400658       3.856265  
1 1 1 5  34 17 o 12.35945 2.465477  1.980383       0.7345663 2.711927       0.8780868 0.2748967      1.340729  6.408386       4.930955  
1 1 1 5  34 18 o 17.74158 2.727888  4.090363       1.026744  6.176100       1.419593  1.802441       1.486808  11.37589       5.455776  
1 1 1 5  34 19 o 30.40330 1.595896  10.07995       0.9670956 11.25810       1.404115  9.016613       1.333942  3.540956       3.191793  
1 1 1 5  35 0  o 102.3634 1.515576  104.9662       3.097834  102.1400       4.289382  108.0474       4.478748  0.000000       0.000000  
1 1 1 5  35 1  o 66.75406 0.9533036 44.60965       1.272532  44.82343       1.817897  44.40425       1.781908  0.3123856      1.906607  
1 1 1 5  35 2  o 57.18765 0.9615304 32.75183       1.099558  33.14813       1.546834  32.34703       1.563317  0.7011909      1.923061  
1 1 1 5  35 3  o 9.041518 2.621688  0.2340811      0.7704686 -0.1537603     1.114217  0.5894543      1.066559  -1.392462      5.243376  
1 1 1 5  35 4  o 163.2902 1.486335  267.6992       4.854032  268.9725       6.882479  266.4391       6.846933  0.7723236      2.972670  
1 1 1 5  35 5  o 93.40648 1.286190  86.25577       2.216307  84.32349       2.648343  90.77181       4.048725  -3.335014      2.572381  
1 1 1 5  35 6  o 39.01885 1.291675  15.36287       1.001783  14.40435       1.471936  16.18998       1.367312  -2.299339      2.583349  
1 1 1 5  35 7  o 59.09222 1.191309  35.23131       1.299988  34.60029       2.330466  35.51637       1.566327  -0.8630371     2.382619  
1 1 1 5  35 8  o 43.94608 0.9965430 19.34315       0.8752760 20.21193       1.265313  18.54597       1.212058  1.889847       1.993086  
1 1 1 5  35 9  o 32.10343 1.225155  10.34750       0.7821347 10.50427       1.174354  10.22252       1.048522  0.4189034      2.450311  
1 1 1 5  35 10 o 18.88949 1.910702  3.580574       0.7158437 3.041446       0.9524284 4.280537       1.085235  -3.233997      3.821405  
1 1 1 5  35 11 o 44.19913 0.9788430 19.65577       0.8644184 20.77214       1.227738  18.55835       1.217273  2.502121       1.957686  
1 1 1 5  35 12 o 24.47626 1.577820  6.217148       0.7544857 5.259831       1.136670  6.971123       1.008754  -3.541092      3.155640  
1 1 1 5  35 13 o 39.97504 1.167276  16.20133       0.9013823 16.33201       1.139046  15.98239       1.474376  0.5487022      2.334551  
1 1 1 5  35 14 o 7.081668 2.184323  -0.3364829     0.6168043 -0.9889468     0.8505973 0.3870712      0.8957385 -2.689871      4.368647  
1 1 1 5  35 15 o 28.38481 1.704820  8.584951       0.9348396 9.975894       1.247881  6.805921       1.411270  5.693008       3.409640  
1 1 1 5  35 16 o 10.53182 2.641794  1.192243       0.7348072 1.609527       0.9036244 0.3776641      1.262522  2.609561       5.283589  
1 1 1 5  35 17 o 8.381532 2.725521  -0.5358666     0.8299696 -0.8474032     0.9311081 0.6689978      1.831111  -4.551573      5.451042  
1 1 1 5  35 18 f 38.73683 1.365708  15.80706       1.054317  17.30746       1.493604  14.31696       1.488469  3.853176       2.731415  
1 1 1 5  36 0  o 98.36066 1.493851  96.94735       2.933453  100.3212       4.251712  93.88228       4.052510  0.000000       0.000000  
1 1 1 5  36 1  o 93.24014 1.111294  86.97121       2.047988  86.09975       2.691123  88.17043       3.156907  -1.077301      2.222589  
1 1 1 5  36 2  o 110.0761 1.203492  121.2939       2.617124  120.2459       3.435639  122.7428       4.039631  -1.086929      2.406984  
1 1 1 5  36 3  o 64.20374 1.301918  41.57962       1.614765  42.26100       2.044341  40.44931       2.633026  1.460529       2.603836  
1 1 1 5  36 4  o 118.7198 1.355750  141.4767       3.219047  141.3857       4.562991  141.5668       4.541923  -0.7836914E-01 2.711500  
1 1 1 5  36 5  o 77.95459 1.045400  60.44127       1.601903  63.56113       2.536729  58.37198       2.065935  3.284058       2.090800  
1 1 1 5  36 6  o 39.61263 1.369907  15.53664       1.004991  16.40669       1.824011  15.15738       1.204274  1.492764       2.739814  
1 1 1 5  36 7  o 59.37680 0.9776685 35.16140       1.153924  37.05413       1.748137  33.69992       1.536131  2.802567       1.955337  
1 1 1 5  36 8  o 23.89482 1.594486  5.818294       0.7493524 6.118562       0.9901407 5.415740       1.146447  1.502256       3.188971  
1 1 1 5  36 9  o 60.48314 0.9218105 36.73681       1.114806  37.22490       1.566266  36.23565       1.587086  0.8209877      1.843621  
1 1 1 5  36 10 o 9.857830 2.600544  0.7939552      0.6814938 0.7339489      1.078664  0.8338203      0.8791926 0.2478189      5.201089  
1 1 1 5  36 11 o 25.99725 1.472159  6.869463       0.7557023 6.704398       1.157054  6.992257       0.9979573 -0.6038189     2.944318  
1 1 1 5  36 12 o 13.00786 2.733831  1.846801       0.7636847 2.037489       0.9840240 1.558004       1.210986  1.354696       5.467661  
1 1 1 5  36 13 o 23.88690 1.435969  5.809767       0.6857391 6.033000       0.9751120 5.591348       0.9645377 0.9197102      2.871939  
1 1 1 5  36 14 o 24.26982 1.751219  6.182233       0.8265187 7.846776       1.174791  4.550808       1.163045  6.782248       3.502438  
1 1 1 5  36 15 o 19.67183 2.454357  4.390246       0.9194019 4.781171       1.212403  3.861207       1.410406  2.951344       4.908713  
1 1 1 5  36 16 o 19.54566 2.384192  4.665432       0.7970750 5.198513       0.9591193 3.475330       1.433074  5.447012       4.768383  
1 1 1 5  36 17 o 8.619951 2.664338  0.1941355      0.8172536 0.4598889E-01  0.9924663 0.5061885      1.440404  -1.920150      5.328675  
1 1 1 5  36 18 o 16.39213 2.751729  3.843515       0.9776502 2.034737       1.543489  5.055404       1.263404  -8.826603      5.503458  
1 1 1 5  37 0  o 13.02083 3.655838  2.467366       1.024658  3.203374       1.335607  1.414453       1.597472  0.000000       0.000000  
1 1 1 5  37 1  o 22.97984 2.407008  5.862377       0.9312448 6.433529       1.110020  4.505085       1.711162  4.642736       4.814017  
1 1 1 5  37 2  o 56.64995 0.9638706 32.14141       1.091461  32.67252       1.574733  31.65038       1.514166  0.8974915      1.927741  
1 1 1 5  37 3  o 64.55931 0.9407700 41.76012       1.214512  42.44487       1.736822  41.10490       1.698962  1.034599       1.881540  
1 1 1 5  37 4  o 40.87825 1.117136  16.76803       0.9111820 15.27708       1.274595  18.32639       1.303089  -3.726688      2.234271  
1 1 1 5  37 5  o 58.83370 1.090280  34.76652       1.243350  34.60570       2.022609  34.86420       1.576373  -0.2698021     2.180559  
1 1 1 5  37 6  f 77.74716 1.216038  60.27795       1.846310  62.71803       2.975276  58.74989       2.354487  2.471405       2.432076  
1 1 1 5  37 7  o 40.24161 1.133647  16.28857       0.9066036 16.44572       1.218809  16.09391       1.356473  0.4571037      2.267294  
1 1 1 5  37 8  o 72.88483 1.015783  53.42647       1.470136  52.87197       2.209010  53.86732       1.969684  -0.7214203     2.031565  
1 1 1 5  37 9  o 34.85007 1.248331  12.14662       0.8610768 12.91715       1.332359  11.59395       1.128392  1.850361       2.496662  
1 1 1 5  37 10 o 24.07249 1.495927  5.863012       0.7189712 6.365893       1.037202  5.397879       0.9975160 1.998140       2.991855  
1 1 1 5  37 11 o 9.967144 2.740049  0.6557091      0.7610118 0.4500840      0.9552578 1.012917       1.259050  -2.183474      5.480099  
1 1 1 5  37 12 o 30.36794 1.353145  9.351085       0.8214367 9.165906       1.140126  9.550964       1.184519  -0.6169682     2.706290  
1 1 1 5  37 13 o 12.22326 2.676613  1.606073       0.7234750 1.847190       1.049484  1.387726       0.9987004 1.477965       5.353226  
1 1 1 5  37 14 o 23.58754 1.777801  5.717561       0.8095815 5.988823       1.343175  5.562784       1.014590  0.6585255      3.555602  
1 1 1 5  37 15 o 31.81894 1.486609  10.59244       0.8607373 10.65239       1.027507  10.45140       1.576043  0.8555145      2.973218  
1 1 1 5  37 16 o 27.59781 1.720201  8.366574       0.8576325 8.757580       1.032790  7.498020       1.539287  2.954592       3.440401  
1 1 1 5  37 17 o 17.22342 2.421380  3.557228       0.8034141 3.857705       1.055720  3.143751       1.238423  2.790820       4.842761  
1 1 1 5  38 0  o 126.1343 1.728562  159.7945       4.354399  156.3179       6.033648  163.5734       6.290480  0.000000       0.000000  
1 1 1 5  38 1  o 60.89500 0.9530693 37.14592       1.160278  35.85428       1.616384  38.51894       1.666525  -2.183266      1.906139  
1 1 1 5  38 2  o 22.15359 1.993629  4.885240       0.8247402 5.180281       1.474533  4.750918       0.9949216 0.8746548      3.987257  
1 1 1 5  38 3  o 25.25906 2.074411  6.315830       0.9587339 6.822052       1.785588  6.110774       1.136442  1.270208       4.148822  
1 1 1 5  38 4  o 35.18058 1.300968  12.43157       0.9150801 12.84753       1.312008  12.03756       1.276942  1.146339       2.601937  
1 1 1 5  38 5  o 97.51828 1.125219  95.17053       2.167009  97.44671       3.357972  93.54612       2.836765  1.933289       2.250439  
1 1 1 5  38 6  o 34.57862 1.519537  11.98829       0.9641967 12.23505       1.763850  11.88313       1.151464  0.3902893      3.039074  
1 1 1 5  38 7  o 51.14034 0.9582330 26.29408       0.9788477 25.48259       1.405849  27.05765       1.363712  -1.546520      1.916466  
1 1 1 5  38 8  o 106.7024 1.101793  114.5841       2.351060  114.7775       3.303955  114.3857       3.346250  0.1922760      2.203587  
1 1 1 5  38 9  f 43.70629 0.9966227 19.16496       0.8699576 17.94147       1.197037  20.53460       1.266512  -2.951862      1.993245  
1 1 1 5  38 10 o 37.72489 1.121570  14.57292       0.8328609 16.46318       1.136200  12.37769       1.224429  5.437572       2.243140  
1 1 1 5  38 11 o 42.93952 1.069359  18.66771       0.9148048 19.44599       1.257038  17.79144       1.333833  1.950211       2.138717  
1 1 1 5  38 12 o 33.54077 1.378154  11.51436       0.9206002 12.51872       1.289432  10.47010       1.314789  3.066753       2.756309  
1 1 1 5  38 13 o 60.16468 1.074166  36.06871       1.243840  38.84235       2.094765  34.55819       1.545866  3.327728       2.148333  
1 1 1 5  38 14 o 14.13034 2.376226  2.336601       0.7155880 1.196239       1.067996  3.265630       0.9639687 -6.767941      4.752452  
1 1 1 5  38 15 o 24.64016 1.785503  6.661086       0.8225079 7.097827       1.023088  5.862943       1.383058  2.965511       3.571006  
1 1 1 5  38 16 o 23.63902 1.954383  6.015079       0.8854931 5.695148       1.095318  6.618649       1.504443  -1.219059      3.908766  
1 1 1 5  38 17 f 8.616880 2.671746  0.3373320      0.8784011 0.2246191      1.192950  0.4708121      1.298207  -0.6236515     5.343491  
1 1 1 5  39 0  o 22.75822 2.937606  5.487339       1.163480  5.035192       1.434390  6.357011       1.989323  0.000000       0.000000  
1 1 1 5  39 1  o 67.98840 0.9985504 46.28127       1.345894  46.96476       2.050096  45.76355       1.784239  0.8553696      1.997101  
1 1 1 5  39 2  o 67.61465 1.029475  45.69997       1.364681  46.68654       2.165333  45.04988       1.757704  1.165466       2.058951  
1 1 1 5  39 3  o 119.7081 1.172194  143.9368       2.806414  143.6174       3.963059  144.2581       3.974703  -0.2660065     2.344388  
1 1 1 5  39 4  o 28.59210 1.316489  8.219691       0.7523627 7.827132       1.049272  8.635095       1.079369  -1.407862      2.632979  
1 1 1 5  39 5  o 16.61231 2.064084  2.835736       0.6711924 2.654125       0.9175753 3.044745       0.9843584 -1.409061      4.128167  
1 1 1 5  39 6  o 26.45639 1.494361  7.032663       0.7728305 7.289772       1.240468  6.869558       0.9880095 0.7274189      2.988721  
1 1 1 5  39 7  o 55.81969 0.9536961 31.30554       1.064370  32.40012       1.514916  30.23846       1.495760  1.932835       1.907392  
1 1 1 5  39 8  o 44.42717 1.076504  20.01121       0.9498736 21.85105       1.313069  17.99145       1.375771  4.358013       2.153007  
1 1 1 5  39 9  o 29.99528 1.337204  9.089907       0.7998888 8.961750       1.087335  9.241062       1.180872  -0.4371109     2.674409  
1 1 1 5  39 10 o 32.88863 1.200810  10.94337       0.7897728 10.88036       1.123288  11.00495       1.110634  -0.1937523     2.401620  
1 1 1 5  39 11 o 23.71679 1.756176  5.782165       0.8321712 5.532279       1.182998  6.026938       1.170832  -1.049471      3.512353  
1 1 1 5  39 12 o 54.63403 1.094764  30.33877       1.166464  29.73019       1.858307  30.73446       1.498438  -1.066807      2.189529  
1 1 1 5  39 13 o 23.47901 1.682074  5.753004       0.7809691 5.630557       1.188459  5.846064       1.036071  -0.5895023     3.364148  
1 1 1 5  39 14 o 12.03142 2.685119  1.668802       0.7366493 2.018984       1.022818  1.291392       1.061836  2.217837       5.370239  
1 1 1 5  39 15 o 24.43021 2.022422  6.861347       0.9006405 7.584970       1.115519  5.506480       1.526403  4.897161       4.044845  
1 1 1 5  39 16 o 13.44027 2.889038  2.265546       0.8423313 1.891564       1.112430  2.768120       1.289578  -2.336277      5.778076  
1 1 1 5  40 0  o 120.1065 1.670088  145.1051       4.007129  143.3546       5.587018  146.9594       5.750385  0.000000       0.000000  
1 1 1 5  40 1  o 55.98283 0.9471613 31.44533       1.060378  31.59572       1.490662  31.29128       1.508702  0.2741089      1.894323  
1 1 1 5  40 2  o 89.41882 0.9969070 80.12751       1.781190  83.06055       2.588165  77.48839       2.455066  3.098473       1.993814  
1 1 1 5  40 3  o 14.31589 2.557283  2.134148       0.7268749 1.853197       0.9495166 2.531859       1.129721  -2.185090      5.114566  
1 1 1 5  40 4  o 51.54284 1.007611  26.56979       1.032408  25.65100       1.376116  27.75278       1.561477  -2.008331      2.015221  
1 1 1 5  40 5  o 28.55385 1.389434  8.172565       0.7883639 7.720196       1.046347  8.766565       1.199011  -1.793348      2.778867  
1 1 1 5  40 6  o 43.31042 1.108601  18.79803       0.9389414 19.32068       1.502833  18.46339       1.202537  0.9228859      2.217203  
1 1 1 5  40 7  o 39.50959 1.120713  15.72932       0.8842342 14.61458       1.240652  16.88015       1.260579  -2.862408      2.241426  
1 1 1 5  40 8  o 52.88683 1.105459  28.45305       1.136162  29.38084       1.458519  27.02116       1.811931  2.318691       2.210918  
1 1 1 5  40 9  o 47.76574 0.9960262 22.97725       0.9511472 22.24802       1.324117  23.75467       1.367166  -1.565113      1.992052  
1 1 1 5  40 10 o 48.57517 1.123969  23.84264       1.091724  23.49447       1.551377  24.18421       1.536590  -0.7147522     2.247937  
1 1 1 5  40 11 o 25.25317 1.447714  6.530108       0.7272138 5.732499       1.024009  7.341663       1.032921  -3.181448      2.895428  
1 1 1 5  40 12 o 35.77435 1.275142  12.93456       0.9065588 13.82236       1.377398  12.25607       1.204135  2.103168       2.550285  
1 1 1 5  40 13 o 54.03002 1.064421  29.84720       1.145070  30.37800       1.556389  29.22086       1.690680  1.163078       2.128843  
1 1 1 5  40 14 o 19.79156 2.140536  4.402808       0.8121259 3.783019       1.191294  4.940938       1.110045  -3.328718      4.281072  
1 1 1 5  40 15 o 11.05658 2.933052  1.365162       0.8500473 1.261178       1.053395  1.559283       1.439278  -0.9985857     5.866103  
1 1 1 5  40 16 o 23.15907 2.107398  6.190053       0.9743795 5.864789       1.384804  6.508982       1.371258  -1.425537      4.214795  
1 1 1 5  41 0  f 35.01009 1.596582  12.48283       1.108388  12.43035       1.567609  12.53529       1.567387  0.000000       0.000000  
1 1 1 5  41 1  f 57.08060 0.9476463 32.72780       1.081581  32.84058       1.514419  32.61040       1.545218  0.2066803      1.895293  
1 1 1 5  41 2  o 90.35139 0.9994345 82.04329       1.805896  83.13979       2.570018  80.97382       2.538126  1.192848       1.998869  
1 1 1 5  41 3  o 88.35695 0.9914722 78.46601       1.752040  79.10480       2.481978  77.83155       2.473560  0.7189789      1.982944  
1 1 1 5  41 4  o 36.63699 1.086456  13.49383       0.7956300 14.10525       1.145961  12.92480       1.105510  1.602581       2.172912  
1 1 1 5  41 5  o 27.40865 1.364178  7.561606       0.7432260 7.289396       0.9902519 7.912748       1.124699  -1.097540      2.728355  
1 1 1 5  41 6  o 50.61671 1.100583  25.73060       1.092690  26.18965       1.729427  25.42559       1.409715  0.6806831      2.201166  
1 1 1 5  41 7  o 46.14692 1.219820  21.71565       1.097098  22.53483       1.417522  20.49195       1.732514  2.301315       2.439641  
1 1 1 5  41 8  f 26.10009 1.635116  6.871750       0.8437799 6.428239       1.099414  7.507415       1.316204  -1.967779      3.270231  
1 1 1 5  41 9  o 27.72713 1.814476  7.337922       0.9515455 9.654369       1.718340  6.313426       1.142754  5.726248       3.628953  
1 1 1 5  41 10 o 31.40222 1.311138  9.987290       0.8208224 11.16285       1.206469  8.974229       1.119986  3.442749       2.622275  
1 1 1 5  41 11 o 26.54870 1.502978  7.334365       0.7810153 6.564631       1.195150  7.908078       1.031809  -2.624031      3.005956  
1 1 1 5  41 12 o 49.61765 1.052920  25.05936       1.044449  24.30231       1.453000  25.86876       1.502384  -1.547523      2.105841  
1 1 1 5  41 13 f 21.05935 1.853789  4.727395       0.7803645 4.547188       1.101541  4.908958       1.105675  -0.8537483     3.707578  
1 1 1 5  41 14 o 28.88698 1.832202  9.223999       1.022363  9.973047       1.328034  8.134256       1.601831  3.616564       3.664404  
1 1 1 5  41 15 o 30.47385 1.766234  10.08451       1.076011  9.859626       1.495007  10.32620       1.549896  -0.6702938     3.532467  
1 1 1 5  42 0  o 51.37756 1.380856  26.68983       1.409886  27.20032       1.929740  26.10533       2.064874  0.000000       0.000000  
1 1 1 5  42 1  o 10.07751 2.428551  0.7781775      0.6618677 -0.1189469     0.9337018 1.684276       0.9383603 -4.999419      4.857102  
1 1 1 5  42 2  o 42.48697 1.022658  18.15372       0.8687505 17.67704       1.212110  18.65726       1.245779  -1.146294      2.045316  
1 1 1 5  42 3  o 18.30394 1.841904  3.414240       0.6735590 3.204826       0.9336712 3.641496       0.9726354 -1.177347      3.683808  
1 1 1 5  42 4  o 38.91880 1.071899  15.24149       0.8336776 16.11465       1.193564  14.40968       1.164953  2.183975       2.143798  
1 1 1 5  42 5  o 61.59990 0.9635848 38.10369       1.186001  36.79964       1.634130  39.55512       1.723995  -2.217525      1.927170  
1 1 1 5  42 6  o 14.43253 2.892693  2.277589       0.9024888 2.917079       1.236523  1.548612       1.320207  3.862637       5.785385  
1 1 1 5  42 7  o 45.84920 1.252323  21.21703       1.142845  21.99094       1.714176  20.59778       1.533352  1.454494       2.504646  
1 1 1 5  42 8  o 28.48145 1.602861  8.313870       0.9067463 8.621206       1.227375  7.944583       1.345402  1.241552       3.205721  
1 1 1 5  42 9  o 29.95931 1.349564  9.143298       0.8073133 9.253293       1.178813  9.046137       1.107910  0.3097744      2.699129  
1 1 1 5  42 10 o 36.53697 1.337920  13.62167       0.9754889 12.46456       1.366160  14.82528       1.393341  -3.216049      2.675841  
1 1 1 5  42 11 o 7.199086 2.325420  -0.5153847     0.7461514 -0.6430454     1.025697  -0.3718915     1.087442  -0.6317272     4.650841  
1 1 1 5  42 12 o 31.54696 1.392336  10.24898       0.8747066 11.66057       1.293153  9.058384       1.187618  4.025545       2.784672  
1 1 1 5  42 13 o 16.51821 2.877501  3.551226       0.9969379 4.349832       1.253888  2.178836       1.643733  6.532362       5.755002  
1 1 1 5  42 14 o 21.67783 2.162347  4.971973       0.9077395 3.900135       1.129966  6.922333       1.524256  -6.142504      4.324694  
1 1 1 5  42 15 o 9.946242 3.070784  0.8138936      1.179116  1.294019       1.506637  0.5503172E-01  1.894142  1.194750       6.141568  
1 1 1 5  43 0  o 32.58668 1.709162  10.89167       1.100500  10.36898       1.558482  11.41150       1.554211  0.000000       0.000000  
1 1 1 5  43 1  o 68.40857 0.9628741 47.05675       1.317301  46.37684       1.859053  47.74237       1.866860  -0.9964828     1.925748  
1 1 1 5  43 2  f 38.79596 1.110464  15.15476       0.8613590 14.72670       1.200914  15.60830       1.236141  -1.127777      2.220927  
1 1 1 5  43 3  f 36.86142 1.140834  13.72466       0.8378295 13.38297       1.231247  14.01931       1.143367  -0.8855286     2.281667  
1 1 1 5  43 4  o 39.46030 1.456086  16.00326       1.003358  16.23689       1.168926  15.34932       1.955675  1.385239       2.912173  
1 1 1 5  43 5  o 63.42177 1.150712  40.68068       1.457633  42.20242       2.036568  39.08238       2.087173  2.475376       2.301425  
1 1 1 5  43 6  o 45.06372 1.138656  20.58414       1.009706  20.16104       1.566208  20.88505       1.320825  -0.8833618     2.277313  
1 1 1 5  43 7  o 12.99775 2.662087  1.880353       0.7399626 1.390774       1.206504  2.175545       0.9368498 -2.309691      5.324175  
1 1 1 5  43 8  o 37.43518 1.224771  14.23022       0.9133437 14.29671       1.354419  14.17477       1.236893  0.1092377      2.449542  
1 1 1 5  43 9  o 26.37799 1.595356  7.101561       0.8382025 6.398029       1.129547  7.963756       1.250446  -2.890253      3.190712  
1 1 1 5  43 10 o 31.49399 1.339600  10.08198       0.8395798 11.49906       1.257074  8.940837       1.128066  3.971788       2.679200  
1 1 1 5  43 11 o 40.37105 1.273279  16.88475       1.019422  16.08841       1.521083  17.53410       1.373540  -1.917408      2.546557  
1 1 1 5  43 12 o 23.18241 2.036744  5.804358       0.9156621 5.619474       1.156037  6.115638       1.500027  -0.5288010     4.073487  
1 1 1 5  43 13 o 25.73699 1.773156  6.753785       0.8846331 5.489079       1.099236  9.078479       1.490320  -6.331083      3.546311  
1 1 1 5  43 14 o 10.15186 3.202607  0.4885984      1.294110  0.5624090      1.640519  0.3670024      2.105626  -0.4779806     6.405215  
1 1 1 5  44 0  o 57.70949 1.879985  33.61132       2.164803  33.61132       2.164803  33.61132       2.164803  0.000000       0.000000  
1 1 1 5  44 1  o 54.06001 1.120114  29.48738       1.210647  28.60443       1.712392  30.36975       1.711835  -1.632893      2.240228  
1 1 1 5  44 2  o 20.60992 2.154386  4.508076       0.8330801 4.703586       1.061276  4.194189       1.344716  1.679220       4.308772  
1 1 1 5  44 3  o 52.12509 1.004758  27.37716       1.047284  26.92000       1.464740  27.85532       1.497987  -0.8879128     2.009516  
1 1 1 5  44 4  o 35.69929 1.162226  12.88507       0.8297932 12.83298       1.175952  12.93674       1.171072  -0.1469612     2.324452  
1 1 1 5  44 5  o 43.62794 1.142490  18.96714       0.9884861 21.30338       1.523694  17.26934       1.298918  4.550446       2.284979  
1 1 1 5  44 6  f 53.59679 1.218619  28.78046       1.235560  30.21144       2.148096  28.07297       1.510426  1.737103       2.437239  
1 1 1 5  44 7  o 67.20543 1.098018  45.69817       1.475460  46.95907       2.114972  44.50270       2.059370  1.805428       2.196036  
1 1 1 5  44 8  o 21.34029 1.799206  4.727925       0.7662880 5.039202       1.079252  4.411469       1.088193  1.477179       3.598411  
1 1 1 5  44 9  o 35.70475 1.355118  12.97423       0.9556700 13.77529       1.489852  12.41419       1.245721  1.737984       2.710236  
1 1 1 5  44 10 o 30.27518 1.438909  9.490520       0.8691670 8.631605       1.195005  10.45525       1.266482  -2.943575      2.877819  
1 1 1 5  44 11 o 9.825972 2.765196  0.8128443      0.8322753 1.165383       1.066960  0.2649747      1.330097  1.369243       5.530392  
1 1 1 5  44 12 o 14.29800 2.839984  2.443333       0.8360745 1.933558       1.067399  3.252616       1.344893  -3.504661      5.679967  
1 1 1 5  44 13 o 12.15948 3.291934  1.863056       1.113293  1.832371       1.697800  1.886203       1.474563  -0.5627728E-01 6.583869  
1 1 1 5  44 14 o 16.00566 3.501078  3.954438       1.238191  4.212254       1.737398  3.688347       1.765063  1.342375       7.002156  
1 1 1 5  45 0  o 39.17889 1.897539  15.59042       1.440431  14.89412       1.836918  16.70223       2.321166  0.000000       0.000000  
1 1 1 5  45 1  o 38.22442 1.308698  15.10957       0.9623376 13.63031       1.548198  16.04098       1.228496  -3.270935      2.617396  
1 1 1 5  45 2  o 79.49583 1.102332  63.95909       1.726686  62.93178       2.669866  64.69771       2.263860  -1.237183      2.204664  
1 1 1 5  45 3  o 63.62421 1.527102  0.000000       0.000000  ?              ?         40.86147       1.943213  ?              ?         
1 1 1 5  45 4  o 74.30756 1.529566  56.57567       2.002798  56.00946       3.877082  56.78176       2.339054  -1.257339      3.059132  
1 1 1 5  45 5  o 29.35043 1.520031  8.959704       0.8750868 7.116208       1.253867  10.71032       1.221873  -6.140770      3.040062  
1 1 1 5  45 6  o 27.02187 2.079091  7.267772       0.9469956 8.339474       2.020360  6.966019       1.072058  1.830719       4.158181  
1 1 1 5  45 7  o 30.73206 1.302158  9.657121       0.7951726 9.228168       1.177590  10.01664       1.078076  -1.332493      2.604316  
1 1 1 5  45 8  o 35.58572 1.240959  12.93447       0.8818498 12.50184       1.207286  13.42932       1.291185  -1.246937      2.481918  
1 1 1 5  45 9  o 26.87367 1.492055  7.594523       0.7932727 8.309765       1.084111  6.770206       1.163842  2.942577       2.984110  
1 1 1 5  45 10 o 14.31534 2.992336  2.383493       0.8975433 1.942410       1.133194  3.126016       1.470275  -3.064499      5.984672  
1 1 1 5  45 11 o 8.514631 2.682055  0.1969687E-01  0.8998749 0.3021919      1.087741  -0.5929270     1.601833  -0.9417057E-01 5.364110  
1 1 1 5  45 12 f 12.22824 3.271424  1.783187       1.045894  1.442468       1.279668  2.468748       1.815193  -2.277119      6.542848  
1 1 1 5  45 13 o 13.74419 3.877579  2.938391       1.480455  4.457504       2.800260  2.349067       1.744137  2.406404       7.755158  
1 1 1 5  46 0  o 44.92461 1.517388  20.66635       1.347318  21.86940       1.839031  19.27249       1.979504  0.000000       0.000000  
1 1 1 5  46 1  o 74.84637 1.230232  57.62569       1.734321  54.61790       2.962492  59.19404       2.139220  -3.417191      2.460463  
1 1 1 5  46 2  f 24.09045 1.578094  5.961315       0.7598164 5.834646       1.086973  6.082350       1.062530  -0.5286751     3.156188  
1 1 1 5  46 3  o 22.64733 1.648456  5.270396       0.7463486 5.067566       1.041679  5.484355       1.069879  -0.9030838     3.296911  
1 1 1 5  46 4  o 31.17938 1.227479  9.876034       0.7642728 9.825706       1.110219  9.921366       1.053686  -0.1788445     2.454959  
1 1 1 5  46 5  o 26.39567 1.488824  7.183938       0.7808838 6.415558       1.121818  7.906221       1.087647  -2.843998      2.977648  
1 1 1 5  46 6  o 10.19209 2.710145  0.6161930      0.7705424 1.699942       1.264864  -0.2333675E-01 0.9716504 4.801607       5.420290  
1 1 1 5  46 7  o 15.00982 2.442231  2.547324       0.7203493 2.994727       1.044858  2.142036       0.9944647 2.673639       4.884463  
1 1 1 5  46 8  o 48.24832 1.162953  23.99201       1.116146  25.38181       1.532554  22.42221       1.628775  3.142475       2.325905  
1 1 1 5  46 9  o 10.72250 3.013018  0.9428114      0.9003071 0.6692386      1.076929  1.577779       1.640689  -2.796278      6.026035  
1 1 1 5  46 10 o 15.77270 2.884487  3.124718       0.9146984 3.353539       1.180822  2.781417       1.446353  2.116507       5.768975  
1 1 1 5  46 11 o 14.19992 3.459526  2.602136       1.243007  1.462209       1.649468  4.100218       1.890920  -5.471313      6.919051  
1 1 1 5  46 12 o 11.44417 3.455091  1.487390       1.313872  1.583003       1.519260  1.203741       2.616756  -0.2489281     6.910181  
1 1 1 5  47 0  o 67.20958 1.447890  45.61427       1.937130  43.15964       2.625300  48.54794       2.870065  0.000000       0.000000  
1 1 1 5  47 1  o 30.15426 1.343431  9.275426       0.8101858 9.331924       1.144795  9.218732       1.146760  0.1887302      2.686862  
1 1 1 5  47 2  o 7.310922 2.343296  -0.4679329     0.7398579 -0.5133255     1.059463  -0.4247253     1.033649  -0.3270674E-01 4.686592  
1 1 1 5  47 3  o 37.23527 1.163345  14.05308       0.8657684 14.57865       1.252487  13.57218       1.198086  1.326916       2.326690  
1 1 1 5  47 4  o 39.34807 1.130805  15.71064       0.8892095 15.88626       1.237681  15.52328       1.278370  0.4794426      2.261609  
1 1 1 5  47 5  o 34.84967 1.269052  12.45294       0.8827780 12.27144       1.283615  12.61583       1.216000  -0.5403214     2.538104  
1 1 1 5  47 6  o 32.50089 1.464784  11.06711       0.9251292 10.43637       1.468396  11.48225       1.191297  -1.854858      2.929568  
1 1 1 5  47 7  o 21.47579 1.900027  4.916397       0.8097577 4.155936       1.115341  5.764022       1.177528  -3.664619      3.800053  
1 1 1 5  47 8  o 6.502702 2.206973  -1.471290      0.8500195 -0.6506427     1.037588  -3.146009      1.482237  0.6379108      4.413946  
1 1 1 5  47 9  f 24.96709 2.585117  6.994416       1.259080  6.224529       1.584792  8.312039       2.073262  -3.118647      5.170233  
1 1 1 5  47 10 o 12.98654 3.512611  2.186915       1.245548  2.044766       1.577236  2.422451       2.030268  -0.7393761     7.025222  
1 1 1 5  47 11 o 13.61945 3.598814  2.676832       1.312753  2.378655       2.261957  2.828272       1.612008  -1.129946      7.197628  
1 1 1 5  48 0  o 8.965389 3.542585  0.9234790      1.085614  2.124156       1.494324  -0.4185210     1.579821  0.000000       0.000000  
1 1 1 5  48 1  o 12.56837 2.642044  1.769944       0.7308749 1.298216       1.063067  2.192788       1.006479  -2.792717      5.284089  
1 1 1 5  48 2  o 11.36215 2.643081  1.332008       0.7366610 2.046609       1.051170  0.6423419      1.032668  4.059806       5.286161  
1 1 1 5  48 3  o 21.57937 1.878057  4.930816       0.8094140 5.012711       1.122209  4.842016       1.168567  0.4461555      3.756114  
1 1 1 5  48 4  o 40.89023 1.192858  17.13433       0.9727328 15.49226       1.360139  18.85351       1.391708  -4.087029      2.385716  
1 1 1 5  48 5  o 38.13332 1.275033  14.99396       0.9706258 13.82871       1.358869  16.20779       1.386905  -3.095181      2.550066  
1 1 1 5  48 6  o 16.39919 3.028682  3.261142       1.027255  4.170191       1.475536  2.406134       1.431005  4.703927       6.057363  
1 1 1 5  48 7  o 17.01661 3.742306  3.514478       1.161674  3.266392       1.267174  4.821001       2.907994  -1.087168      7.484612  
1 1 1 5  48 8  o 13.18770 3.551047  2.219250       1.273747  2.149295       1.615238  2.334294       2.071370  -0.4082613     7.102095  
1 1 1 5  48 9  o 11.74909 3.368923  1.435295       1.301707  2.449965       1.792027  0.3018812      1.893984  3.338091       6.737846  
1 1 1 5  48 10 o 14.91565 3.823060  3.504819       1.568520  4.237690       1.946543  2.147890       2.648675  4.048732       7.646121  
1 1 1 5  48 11 o 14.59706 3.560811  3.495766       1.553999  5.419040       2.001027  0.5731951      2.466692  8.134157       7.121622  
1 1 1 5  49 0  o 8.383666 3.360839  0.7068024      1.045195  2.003042       1.389505  -0.9824120     1.586207  0.000000       0.000000  
1 1 1 5  49 1  o 13.09455 2.719970  2.011811       0.7610345 2.178876       1.067602  1.839212       1.085143  1.075504       5.439939  
1 1 1 5  49 2  o 9.905733 2.662941  0.9175954      0.7376084 1.161840       1.025518  0.6558160      1.061694  1.219732       5.325881  
1 1 1 5  49 3  o 8.900721 2.579103  0.4133771      0.7553967 -0.8648524E-01 1.057543  0.9340928      1.079377  -2.192279      5.158207  
1 1 1 5  49 4  o 29.99556 2.117022  9.243453       1.214031  8.092355       1.479304  11.61804       2.124689  -4.955570      4.234044  
1 1 1 5  49 5  o 9.861196 3.014377  0.4523225      1.063279  0.6233253      1.309781  0.1218253      1.820878  -0.3188992     6.028754  
1 1 1 5  49 6  o 24.01472 2.929219  6.777707       1.336673  6.301401       1.688096  7.578303       2.188572  -1.111975      5.858438  
1 1 1 5  49 7  o 12.97969 3.900305  1.914056       1.582638  1.760271       1.804156  2.427485       3.296528  -1.567855      7.800610  
1 1 1 5  49 8  o 11.28084 3.570957  0.6127782      1.652815  -0.4354835     2.175205  2.044800       2.542377  -3.071690      7.141914  
1 1 1 5  49 9  o 17.45519 3.808486  4.868842       1.546657  5.666378       1.979282  3.618144       2.478611  5.248441       7.616973  
1 1 1 5  49 10 o 17.13578 4.108383  4.932185       1.743502  2.937457       2.231550  8.057708       2.793355  -7.806304      8.216765  
1 1 1 5  50 0  o 7.277402 3.553658  -0.8559638     1.254312  -1.419699      1.429623  1.029006       2.614184  0.000000       0.000000  
1 1 1 5  50 1  o 45.17805 1.572747  21.05476       1.290570  20.49838       1.526915  22.44640       2.414865  -1.151329      3.145494  
1 1 1 5  50 2  o 31.15588 1.841971  10.12516       1.085223  9.536876       1.319716  11.35372       1.907141  -2.092899      3.683942  
1 1 1 5  50 3  o 10.16127 3.037147  0.2201136      1.026935  -0.5498163     1.245757  1.852817       1.814100  -5.003957      6.074293  
1 1 1 5  50 4  o 15.18885 3.165158  3.092572       1.059621  3.567144       1.290632  2.111150       1.856008  4.127773       6.330315  
1 1 1 5  50 5  o 13.16170 3.464393  2.253459       1.231344  2.627341       1.723803  1.863927       1.759513  1.555860       6.928786  
1 1 1 5  50 6  o 10.40379 3.425345  -0.7093711     1.607098  -1.769592      1.956865  1.487322       2.816743  -4.258738      6.850690  
1 1 1 5  50 7  o 17.32266 3.958014  4.722065       1.762450  6.833309       2.423800  2.353333       2.567352  8.219794       7.916028  
1 1 1 5  50 8  o 10.96406 5.044435  0.000000       0.000000  ?              ?         0.6994776      2.557796  ?              ?         
1 1 1 5  50 9  o 21.28268 5.766588  0.000000       0.000000  ?              ?         7.580010       2.515452  ?              ?         
1 1 1 5  51 0  o 24.89693 6.993714  8.885350       3.011152  8.885350       3.011152  8.885350       3.011152  0.000000       0.000000  
1 1 1 5  51 1  o 38.63297 4.230083  0.000000       0.000000  ?              ?         18.24802       3.268413  ?              ?         
1 1 1 5  51 2  o 13.80650 4.089031  2.368477       1.959348  0.8542811      2.721725  3.997363       2.822919  -3.859795      8.178061  
1 1 1 5  51 3  o 11.99413 5.185004  0.000000       0.000000  ?              ?         1.377107       2.279996  ?              ?         
1 1 1 5  51 4  o 11.35299 5.122766  0.000000       0.000000  ?              ?         0.6874411      2.465209  ?              ?         
1 1 1 5  51 5  o 8.776184 4.217125  0.000000       0.000000  ?              ?         -1.557975      2.153018  ?              ?         
1 1 1 5  51 6  o 13.66721 5.719581  0.000000       0.000000  ?              ?         2.723803       2.622859  ?              ?         
1 1 1 5  51 7  o 15.85443 5.802681  0.000000       0.000000  ?              ?         4.649044       2.403201  ?              ?         
1 1 1 5  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5  52 2  o 10.70934 4.906846  0.000000       0.000000  ?              ?         0.2526021      2.392540  ?              ?         
1 1 1 5  52 3  o 17.97553 5.388510  0.000000       0.000000  ?              ?         4.771134       2.089119  ?              ?         
1 1 1 5  52 4  o 37.62149 3.744181  0.000000       0.000000  ?              ?         17.07844       2.817233  ?              ?         
1 1 1 5  52 5  o 25.29982 5.865998  0.000000       0.000000  ?              ?         10.48069       2.912871  ?              ?         
1 1 1 5  52 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5  53 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5  53 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5  53 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5  53 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5  53 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6  0  0  o 397.2692 6.741909  1581.355       53.46460  1617.298       77.29050  1548.376       74.03522  0.000000       0.000000  
1 1 1 6  0  1  o 756.1556 9.085848  5745.261       137.3172  5737.261       193.9187  5753.307       194.4742  0.000000       0.000000  
1 1 1 6  0  2  o 116.9106 1.417989  136.1442       3.301146  129.4760       4.443542  144.3576       4.931551  0.000000       0.000000  
1 1 1 6  0  3  o 13.86871 1.911064  2.123015       0.4732487 2.167588       0.6677241 2.078026       0.6708362 0.000000       0.000000  
1 1 1 6  0  4  o 245.5741 5.920732  605.1301       29.04204  605.1301       29.04204  605.1301       29.04204  0.000000       0.000000  
1 1 1 6  0  5  o 137.7020 1.949405  188.6145       4.576246  192.3758       9.397624  187.4453       5.239423  0.000000       0.000000  
1 1 1 6  0  6  o 444.1059 6.103808  2015.100       48.25529  1898.484       90.88112  2060.886       56.94581  0.000000       0.000000  
1 1 1 6  0  7  o 588.2842 7.065732  3469.256       83.03795  3402.906       115.2484  3540.888       119.7476  0.000000       0.000000  
1 1 1 6  0  8  o 103.4729 1.614269  106.6139       3.175814  105.2409       3.916823  109.2487       5.425920  0.000000       0.000000  
1 1 1 6  0  9  f 341.8214 5.818424  1170.694       39.75147  1170.694       39.75147  1170.694       39.75147  0.000000       0.000000  
1 1 1 6  0  10 o 128.6172 2.271936  165.6244       5.840128  165.6244       5.840128  165.6244       5.840128  0.000000       0.000000  
1 1 1 6  0  11 o 96.44872 1.313961  93.13483       2.530173  87.82467       3.547100  98.63543       3.610143  0.000000       0.000000  
1 1 1 6  0  12 o 160.3204 2.418737  259.2662       7.441785  263.5056       9.350992  251.9431       12.28986  0.000000       0.000000  
1 1 1 6  0  13 o 124.4255 1.614019  155.1471       4.011600  152.7947       5.734516  157.4017       5.613925  0.000000       0.000000  
1 1 1 6  0  14 o 8.240352 3.341059  0.8656288      0.8866434 -0.3787073     1.829898  1.247389       1.013569  0.000000       0.000000  
1 1 1 6  0  15 o 38.15045 1.983568  14.35077       1.464958  19.13496       2.294847  11.06018       1.903208  0.000000       0.000000  
1 1 1 6  0  16 o 153.5840 2.454855  234.8969       6.893323  242.7565       12.70638  231.6189       8.205848  0.000000       0.000000  
1 1 1 6  0  17 o 62.00329 1.474334  38.52222       1.687034  39.04403       3.035810  38.28909       2.029210  0.000000       0.000000  
1 1 1 6  0  18 o 136.9940 2.121816  189.6074       4.860914  188.5719       10.17855  189.9133       5.532589  0.000000       0.000000  
1 1 1 6  0  19 f 9.248482 3.862564  1.016179       0.7858729 0.3480143      3.014625  1.064896       0.8140189 0.000000       0.000000  
1 1 1 6  0  20 o 9.401577 4.154172  0.6357944      0.7476686 2.023480       3.233857  0.5574288      0.7684899 0.000000       0.000000  
1 1 1 6  0  21 f 7.250061 3.354593  0.4743966      0.7367129 -5.085235      3.874969  0.6828912      0.7503997 0.000000       0.000000  
1 1 1 6  0  22 f 33.79812 3.390459  15.40622       1.132419  9.536205       3.147422  16.27909       1.213698  0.000000       0.000000  
1 1 1 6  0  23 o 51.64344 1.940164  30.68007       1.561768  23.31876       3.255034  32.88150       1.780041  0.000000       0.000000  
1 1 1 6  0  24 o 5.297604 3.624365  -0.3758166     1.149278  -0.3758166     1.149278  -0.3758166     1.149278  0.000000       0.000000  
1 1 1 6  1  0  o 328.9063 3.943157  1083.403       25.91969  1092.308       36.95001  1074.775       36.36884  0.000000       0.000000  
1 1 1 6  1  1  o 145.8443 1.245005  212.3969       3.627046  206.2888       4.982070  219.2852       5.290663  -4.454285      2.490009  
1 1 1 6  1  2  o 273.1735 2.315167  746.3813       12.64528  735.7416       17.63204  757.6494       18.14525  -4.005463      4.630334  
1 1 1 6  1  3  o 133.6105 1.322396  178.4104       3.531365  174.6823       4.887773  182.4815       5.107693  -2.917236      2.644792  
1 1 1 6  1  4  o 127.0716 1.545667  161.4783       3.926781  163.9379       5.644988  159.1723       5.465953  1.873291       3.091333  
1 1 1 6  1  5  o 233.5181 2.055913  543.8046       9.253886  552.6143       15.34283  538.7674       11.60166  2.922607       4.111825  
1 1 1 6  1  6  o 176.4563 1.557049  311.5341       5.321164  311.1494       8.683961  311.7654       6.733342  -0.1871033     3.114098  
1 1 1 6  1  7  f 270.8649 2.373919  735.5427       12.49339  727.7069       20.17320  740.4178       15.91213  -2.378174      4.747838  
1 1 1 6  1  8  o 128.6024 1.162086  166.0183       2.908152  162.7254       4.665541  168.1106       3.719045  -2.097397      2.324172  
1 1 1 6  1  9  o 78.48500 0.9621353 60.69968       1.379516  63.82508       2.564303  59.42677       1.636505  2.798042       1.924271  
1 1 1 6  1  10 o 168.0370 2.054830  281.3933       6.881591  296.7157       10.26116  268.8688       9.277144  8.270584       4.109661  
1 1 1 6  1  11 o 124.9751 1.127874  156.2154       2.818687  154.4691       3.944428  158.0377       4.029382  -1.426651      2.255748  
1 1 1 6  1  12 o 262.9518 2.251106  692.4297       11.83233  679.0673       16.41290  706.8896       17.07352  -5.268311      4.502212  
1 1 1 6  1  13 o 151.7608 1.345129  230.3958       4.080849  225.5918       5.666537  235.5719       5.881869  -3.282211      2.690258  
1 1 1 6  1  14 o 152.3599 1.289023  232.7755       3.910135  228.4017       5.782709  236.4597       5.307354  -2.659973      2.578046  
1 1 1 6  1  15 o 82.74766 1.110805  68.59746       1.746970  68.39805       2.974580  68.70245       2.158432  -0.2133179     2.221609  
1 1 1 6  1  16 o 119.7341 1.337479  143.4865       3.200114  151.8248       4.618425  135.7861       4.438242  6.686615       2.674958  
1 1 1 6  1  17 o 85.13710 0.9635173 72.12148       1.588400  74.64783       2.615343  70.64500       1.999388  2.304642       1.927035  
1 1 1 6  1  18 o 28.02483 1.282595  7.881875       0.6716400 7.927833       1.185117  7.860129       0.8151916 0.6966782E-01  2.565189  
1 1 1 6  1  19 o 60.22748 1.115376  36.04679       1.253986  37.78809       2.238647  35.25060       1.513765  1.960491       2.230752  
1 1 1 6  1  20 o 72.50555 0.8619601 52.81520       1.249732  54.18536       1.779174  51.48075       1.755833  1.860481       1.723920  
1 1 1 6  1  21 o 21.64305 1.341395  4.760472       0.5793242 4.731571       0.7921000 4.793713       0.8494829 -0.1182690     2.682789  
1 1 1 6  1  22 o 34.68685 1.106087  12.22211       0.7669817 12.20945       1.068468  12.23556       1.101644  -0.2082825E-01 2.212174  
1 1 1 6  1  23 o 10.44940 2.352095  1.177112       0.6357353 0.1702967      0.9660839 1.946095       0.8443028 -5.073888      4.704190  
1 1 1 6  1  24 o 26.73779 1.620335  7.674089       0.8632320 6.879356       1.208263  8.502667       1.233724  -2.995102      3.240671  
1 1 1 6  2  0  o 567.5417 6.810056  3230.237       77.23703  3268.469       110.4646  3193.667       108.0352  0.000000       0.000000  
1 1 1 6  2  1  o 540.8524 4.582170  2931.155       49.56512  2940.608       70.27720  2921.798       69.91552  1.733215       9.164341  
1 1 1 6  2  2  o 53.64376 0.5538503 28.91487       0.5866111 27.87074       0.8958145 29.69873       0.7761752 -1.704071      1.107701  
1 1 1 6  2  3  o 275.3026 2.696732  758.7048       14.84831  757.9736       20.97025  759.4398       21.02722  -0.2655334     5.393464  
1 1 1 6  2  4  o 113.2797 1.700710  129.2018       3.657833  125.8016       6.204058  131.0136       4.528677  -2.319679      3.401421  
1 1 1 6  2  5  o 84.72195 0.9496965 70.86478       1.487641  74.19678       2.704408  69.41911       1.781368  2.814926       1.899393  
1 1 1 6  2  6  o 214.9160 1.892580  460.7820       7.846406  466.9809       12.97614  457.2090       9.851489  2.249268       3.785160  
1 1 1 6  2  7  o 433.1119 3.788869  1880.319       31.84136  1869.641       51.65562  1886.862       40.43755  -2.120026      7.577739  
1 1 1 6  2  8  o 201.5459 1.779183  407.9614       6.981914  399.0909       11.17780  413.6364       8.940553  -3.621887      3.558365  
1 1 1 6  2  9  o 199.1071 2.021217  397.1502       7.277634  395.4616       13.58242  397.8303       8.619349  -0.6394043     4.042435  
1 1 1 6  2  10 o 152.7647 1.715641  232.8482       5.117127  236.5930       8.208642  230.4680       6.544337  1.982849       3.431281  
1 1 1 6  2  11 o 82.13148 0.8434619 67.94486       1.351841  65.23331       2.139948  69.74553       1.743862  -2.750557      1.686924  
1 1 1 6  2  12 o 48.15181 0.7616996 23.54317       0.7091838 21.73637       1.136913  24.69398       0.9073490 -3.073704      1.523399  
1 1 1 6  2  13 o 106.3705 1.019786  113.2991       2.108006  112.8624       3.408118  113.5698       2.682744  -0.3477097     2.039572  
1 1 1 6  2  14 o 109.2735 1.222603  119.3963       2.415297  119.8628       4.518644  119.2098       2.857809  0.2481155      2.445206  
1 1 1 6  2  15 o 113.3274 1.272566  130.1178       2.641592  124.8761       4.777127  132.4265       3.170405  -3.396858      2.545132  
1 1 1 6  2  16 o 84.56398 1.012634  71.35513       1.700791  73.67416       2.578441  69.56898       2.262895  2.412468       2.025268  
1 1 1 6  2  17 o 117.4740 1.150102  139.3372       2.656860  133.0375       4.101830  143.8906       3.487270  -4.675255      2.300204  
1 1 1 6  2  18 o 40.36459 0.9832103 16.05270       0.7768494 17.71331       1.257183  15.02695       0.9880639 3.298393       1.966421  
1 1 1 6  2  19 o 34.11192 1.379436  11.98798       0.8419797 11.20909       1.570266  12.30229       0.9975004 -1.741737      2.758872  
1 1 1 6  2  20 o 17.09870 2.212433  3.034132       0.7224045 3.215936       1.163773  2.920164       0.9214181 0.4286213      4.424866  
1 1 1 6  2  21 o 14.34857 1.951147  2.192476       0.5433679 2.365010       0.7322216 1.981018       0.8106219 1.644752       3.902293  
1 1 1 6  2  22 o 28.17798 1.244882  8.062572       0.6995723 7.312105       0.9541546 8.934949       1.028739  -2.836060      2.489764  
1 1 1 6  2  23 o 19.74916 1.809351  4.292555       0.6882032 3.584126       1.064917  4.800605       0.9018219 -3.300713      3.618701  
1 1 1 6  2  24 o 38.91543 1.195950  15.73390       0.9292754 15.53828       1.274883  15.95565       1.357381  -0.4393234     2.391900  
1 1 1 6  3  0  o 283.0807 3.398180  802.4680       19.22632  799.4895       27.07722  805.4965       27.30445  0.000000       0.000000  
1 1 1 6  3  1  o 428.0695 3.747727  1831.366       30.98455  1848.989       51.04415  1821.084       38.98945  3.101074       7.495454  
1 1 1 6  3  2  o 389.0031 3.550500  1519.849       27.51964  1578.936       37.78991  1453.135       40.15498  16.20309       7.100999  
1 1 1 6  3  3  o 363.9307 3.085300  1326.340       22.45587  1320.213       31.59510  1332.595       31.92222  -1.695709      6.170599  
1 1 1 6  3  4  o 289.5031 3.182296  835.3397       17.92664  858.6238       29.10056  821.1000       22.75741  6.344116       6.364591  
1 1 1 6  3  5  o 362.9835 3.330132  1317.697       23.88336  1332.782       36.84352  1306.764       31.36611  3.488434       6.660264  
1 1 1 6  3  6  o 343.0950 3.003130  1181.081       20.02781  1166.678       32.28910  1190.086       25.53290  -3.492523      6.006261  
1 1 1 6  3  7  o 326.1836 2.852093  1069.108       18.13720  1044.644       28.92467  1084.961       23.28329  -6.229065      5.704186  
1 1 1 6  3  8  o 289.7036 2.659609  840.9208       15.28564  831.3920       23.06417  848.3846       20.41226  -2.957306      5.319218  
1 1 1 6  3  9  o 199.3823 2.020901  399.7673       7.339334  392.8353       13.48613  402.6843       8.748271  -2.512985      4.041802  
1 1 1 6  3  10 o 142.9785 1.527847  204.0381       4.101756  205.9740       7.180357  203.1004       4.997396  0.9790802      3.055695  
1 1 1 6  3  11 o 70.68201 0.7884660 50.01134       1.080548  49.79716       1.757118  50.14160       1.370276  -0.2470245     1.576932  
1 1 1 6  3  12 o 50.55008 0.7628486 25.87416       0.7505019 24.10884       1.186255  27.05233       0.9691074 -2.913933      1.525697  
1 1 1 6  3  13 o 38.12041 0.8162419 14.69878       0.6096414 13.66438       0.9445176 15.43746       0.7981685 -2.328133      1.632484  
1 1 1 6  3  14 o 146.2615 1.546149  212.7646       4.057054  217.7637       7.722904  210.8592       4.767955  2.245590       3.092299  
1 1 1 6  3  15 o 38.04998 1.165362  14.29169       0.7774674 14.92254       1.542203  14.07674       0.9002331 1.087303       2.330723  
1 1 1 6  3  16 o 77.39665 0.9873636 59.95299       1.524196  60.35125       2.243379  59.61152       2.077269  0.4701080      1.974727  
1 1 1 6  3  17 o 16.34366 2.177577  2.897338       0.6545446 2.308621       1.097008  3.222788       0.8156406 -3.109447      4.355154  
1 1 1 6  3  18 o 40.46197 0.9638511 16.56358       0.7581931 15.78397       1.209628  17.06808       0.9730635 -1.612137      1.927702  
1 1 1 6  3  19 o 55.68900 1.112807  31.04670       1.162034  31.68549       2.043689  30.74151       1.412607  0.7209053      2.225613  
1 1 1 6  3  20 o 64.89716 1.051458  42.42299       1.364705  42.48763       1.936774  42.35925       1.923267  0.9560394E-01  2.102916  
1 1 1 6  3  21 o 16.04815 2.254180  2.665768       0.6283121 2.940946       1.245670  2.571869       0.7276579 0.4270964      4.508360  
1 1 1 6  3  22 o 26.69675 1.566903  7.407876       0.7996230 7.229521       1.332870  7.508162       0.9994590 -0.7739277     3.133807  
1 1 1 6  3  23 o 11.31838 3.506593  0.000000       0.000000  ?              ?         1.483941       0.8749788 ?              ?         
1 1 1 6  3  24 o 25.41085 1.633713  7.044546       0.8136314 8.112206       1.115096  5.828973       1.189834  4.609991       3.267427  
1 1 1 6  4  0  o 253.2880 3.775925  623.8461       17.31140  687.6788       32.97239  599.5543       20.34038  0.000000       0.000000  
1 1 1 6  4  1  f 162.8245 1.392655  264.9537       4.532222  270.9574       6.553441  259.4498       6.274703  3.532288       2.785310  
1 1 1 6  4  2  o 89.44182 0.9100536 79.97069       1.627497  81.52245       2.335089  78.50480       2.269567  1.686676       1.820107  
1 1 1 6  4  3  o 375.0027 3.179062  1407.732       23.83063  1381.326       33.06229  1436.283       34.37948  -7.302460      6.358123  
1 1 1 6  4  4  o 181.1724 1.671388  328.5939       5.999107  327.0291       9.121243  329.7869       7.964047  -0.7739105     3.342776  
1 1 1 6  4  5  o 130.5999 1.223808  169.9981       3.149807  174.0625       4.918117  167.1715       4.101311  2.633224       2.447615  
1 1 1 6  4  6  o 41.08430 0.7685500 15.48697       0.5715879 20.21622       1.125945  13.84505       0.6634318 7.752377       1.537100  
1 1 1 6  4  7  o 143.7705 1.284538  207.5343       3.600290  203.0633       5.744852  210.4261       4.620130  -2.564880      2.569076  
1 1 1 6  4  8  o 384.8064 3.379992  1477.055       25.05504  1502.581       41.60920  1462.534       31.38228  5.079712       6.759983  
1 1 1 6  4  9  o 33.45192 1.018044  11.32784       0.5960935 10.91040       1.162120  11.47689       0.6944023 -0.8488884     2.036087  
1 1 1 6  4  10 o 177.8333 1.884549  315.2870       6.275434  319.9569       11.05812  313.0687       7.621585  1.885254       3.769098  
1 1 1 6  4  11 o 70.26446 0.8318078 49.29549       1.162496  50.18551       1.744774  48.58499       1.558916  1.137161       1.663616  
1 1 1 6  4  12 o 71.78395 0.8285749 51.71047       1.176126  50.39709       1.791600  52.70510       1.559115  -1.610542      1.657150  
1 1 1 6  4  13 o 93.45651 1.117062  88.09834       2.007272  84.85307       3.301680  90.00108       2.528141  -2.772827      2.234123  
1 1 1 6  4  14 o 44.13631 1.048013  18.09175       0.7742851 22.11275       1.703444  17.04463       0.8692743 5.719131       2.096026  
1 1 1 6  4  15 o 102.4047 1.177147  106.3546       2.232192  101.3899       3.952099  108.6804       2.704967  -3.607452      2.354295  
1 1 1 6  4  16 o 35.90173 1.289231  13.00663       0.8928918 12.58074       1.458757  13.26178       1.129117  -0.9691315     2.578462  
1 1 1 6  4  17 o 93.18379 0.9926865 87.43011       1.816612  84.89761       2.830641  89.20361       2.368775  -2.349190      1.985373  
1 1 1 6  4  18 o 47.76084 0.9100008 22.78276       0.8472285 23.26993       1.366580  22.47862       1.079779  0.7985229      1.820002  
1 1 1 6  4  19 o 78.59454 1.264771  62.21161       1.984987  57.50604       2.760109  67.25257       2.856776  -6.178062      2.529541  
1 1 1 6  4  20 f 15.55840 2.431720  2.643591       0.7556770 1.837673       1.114865  3.328564       1.027812  -4.884691      4.863439  
1 1 1 6  4  21 o 50.06221 1.141803  25.40625       1.141869  25.09936       1.649645  25.68854       1.582162  -0.6160278     2.283606  
1 1 1 6  4  22 o 13.85371 2.494673  2.320614       0.7381161 1.161405       1.260902  2.924938       0.9104072 -5.599243      4.989346  
1 1 1 6  4  23 o 13.67902 3.148495  2.201443       0.8138695 2.230021       2.207065  2.196945       0.8755748 -0.2725010     6.296990  
1 1 1 6  4  24 o 34.72582 1.359637  12.66242       0.9431018 12.94348       1.374066  12.41208       1.296782  0.6622505      2.719274  
1 1 1 6  5  0  o 210.8287 2.541948  444.5544       10.70189  434.3387       14.76689  455.8553       15.53156  0.000000       0.000000  
1 1 1 6  5  1  o 432.5524 3.793661  1866.738       31.59360  1847.212       39.53798  1901.229       52.54751  -6.044617      7.587322  
1 1 1 6  5  2  f 373.0381 3.415705  1394.843       25.25094  1401.500       33.56371  1386.160       38.32938  2.135529       6.831410  
1 1 1 6  5  3  o 297.1027 2.521567  883.6224       14.98172  876.2988       21.00518  891.2056       21.37433  -2.502625      5.043134  
1 1 1 6  5  4  o 163.7866 1.520623  268.3598       4.931965  268.4514       7.522498  268.2908       6.531682  0.3952026E-01  3.041246  
1 1 1 6  5  5  o 602.3287 5.522471  3642.743       65.83875  3643.996       100.5973  3641.803       87.07899  -0.1724854     11.04494  
1 1 1 6  5  6  o 393.6639 3.337043  1551.550       26.27326  1548.156       37.06942  1554.977       37.24319  -0.8641052     6.674085  
1 1 1 6  5  7  o 305.8393 2.804252  937.3296       17.01808  925.0427       25.64246  947.0014       22.75061  -3.613770      5.608504  
1 1 1 6  5  8  o 171.2757 1.529346  292.9650       5.067461  295.2411       8.311103  291.6182       6.393342  1.046661       3.058693  
1 1 1 6  5  9  o 194.5804 1.808245  378.9850       6.975729  377.2730       10.57430  380.3042       9.281905  -0.7903442     3.616490  
1 1 1 6  5  10 o 92.82174 1.444839  0.000000       0.000000  ?              ?         86.17987       2.682248  ?              ?         
1 1 1 6  5  11 o 109.3098 1.193980  118.6035       2.342041  121.6705       4.459770  117.4356       2.752070  1.913460       2.387960  
1 1 1 6  5  12 o 67.01604 0.8004760 44.74537       1.037843  45.62410       1.706805  44.22986       1.307288  1.035248       1.600952  
1 1 1 6  5  13 o 65.12466 0.9175153 42.22426       1.087903  42.94425       2.017857  41.92922       1.291713  0.7644730      1.835031  
1 1 1 6  5  14 f 53.23484 1.276545  27.23334       1.317447  24.08322       1.637388  33.01685       2.218624  -8.371189      2.553089  
1 1 1 6  5  15 o 82.96194 1.067589  68.57267       1.660395  69.84298       2.921775  67.96674       2.017900  1.098755       2.135177  
1 1 1 6  5  16 o 52.64599 0.8944978 27.36146       0.9127157 29.28280       1.510074  26.25554       1.145667  2.858360       1.788996  
1 1 1 6  5  17 o 40.92580 0.9560890 16.56578       0.7665191 17.85565       1.232700  15.75261       0.9787524 2.547909       1.912178  
1 1 1 6  5  18 o 60.42536 0.8866715 36.64187       1.050710  36.43953       1.654862  36.77854       1.360010  -0.3114700     1.773343  
1 1 1 6  5  19 o 44.27129 1.028268  19.73513       0.9043293 19.47807       1.355145  19.94153       1.214253  -0.5505066     2.056536  
1 1 1 6  5  20 o 40.76649 1.054805  16.93653       0.8480802 15.32711       1.272133  18.22402       1.137810  -3.586952      2.109610  
1 1 1 6  5  21 o 16.37100 2.605170  2.970367       0.8326848 2.903766       1.178220  3.036828       1.176969  -0.3935547     5.210340  
1 1 1 6  5  22 o 7.888880 2.238621  0.1065517      0.5978206 -0.6661288     0.8279212 0.9483013      0.8641328 -3.750728      4.477241  
1 1 1 6  5  23 o 9.336087 2.475399  0.7483734      0.6523272 1.344704       0.9585686 0.2339901      0.8902724 3.092329       4.950798  
1 1 1 6  5  24 o 12.53667 3.211788  2.004156       0.9330255 1.497887       2.353118  2.098598       1.016332  -0.9766970     6.423577  
1 1 1 6  6  0  o 129.9683 2.259681  169.1576       5.862766  172.7986       8.459226  165.7921       8.132810  0.000000       0.000000  
1 1 1 6  6  1  o 198.6173 1.829812  394.3780       7.186687  392.7737       9.469193  396.5575       11.03702  -0.9391479     3.659624  
1 1 1 6  6  2  o 112.4430 1.010717  127.5367       2.234174  132.9521       2.938787  120.1207       3.439062  5.708565       2.021434  
1 1 1 6  6  3  o 72.25951 0.7856357 52.17820       1.134818  50.93486       1.574496  53.52235       1.637082  -1.790077      1.571271  
1 1 1 6  6  4  o 511.1459 4.338703  2620.114       44.34453  2588.608       61.93884  2653.245       63.51618  -6.282806      8.677406  
1 1 1 6  6  5  f 266.8374 2.269235  712.3949       12.10907  706.4388       16.97740  718.5627       17.27612  -2.268738      4.538471  
1 1 1 6  6  6  o 227.8327 1.943340  518.7060       8.847266  506.5022       12.20642  532.2128       12.84157  -5.637970      3.886680  
1 1 1 6  6  7  o 551.7473 4.677610  3048.247       51.59665  3102.875       74.24364  2997.217       71.75722  9.540527       9.355220  
1 1 1 6  6  8  o 316.6688 4.215509  984.9333       19.33921  1033.839       49.63851  976.1816       20.99842  8.656830       8.431019  
1 1 1 6  6  9  o 123.9959 1.154027  152.0331       2.736461  159.6701       4.655376  148.0013       3.382516  4.697708       2.308054  
1 1 1 6  6  10 o 130.9667 1.436375  170.0818       3.520811  175.9174       6.238483  167.3543       4.264949  3.245117       2.872750  
1 1 1 6  6  11 o 121.6501 1.401724  0.000000       0.000000  ?              ?         148.0383       3.410396  ?              ?         
1 1 1 6  6  12 f 92.85921 0.9386733 85.41569       1.676416  89.31033       2.812445  83.26933       2.087868  3.241791       1.877347  
1 1 1 6  6  13 o 148.7954 1.558754  221.0629       4.194645  223.4042       7.855048  220.1288       4.961257  0.9957428      3.117509  
1 1 1 6  6  14 o 68.64188 0.8605750 47.06275       1.168848  47.69085       1.793937  46.59941       1.540794  0.7891998      1.721150  
1 1 1 6  6  15 o 157.7385 1.802899  250.7506       5.619696  241.6283       8.552712  257.6812       7.454827  -5.155457      3.605798  
1 1 1 6  6  16 o 109.9623 1.093027  120.8073       2.336393  122.5502       3.791034  119.7398       2.966789  1.228882       2.186054  
1 1 1 6  6  17 o 79.83400 0.9233780 63.94109       1.439484  63.56966       2.295639  64.18175       1.847913  -0.4209671     1.846756  
1 1 1 6  6  18 o 10.27687 2.515715  0.9794886      0.6694381 0.4326730E-02  1.191508  1.429304       0.8092377 -2.820304      5.031431  
1 1 1 6  6  19 o 23.18510 1.494853  5.396039       0.6876962 5.790831       1.053720  5.103118       0.9076449 1.440737       2.989705  
1 1 1 6  6  20 o 26.04175 1.509463  6.833824       0.7421416 7.063870       1.290504  6.720149       0.9071550 0.5174351      3.018927  
1 1 1 6  6  21 o 73.66042 0.9067928 54.57210       1.331234  52.88823       1.797747  56.61643       1.980841  -2.467857      1.813586  
1 1 1 6  6  22 o 33.65139 1.140661  11.61504       0.7630584 12.95655       1.073636  10.24572       1.084704  4.035019       2.281321  
1 1 1 6  6  23 o 32.60717 1.248032  10.96000       0.8113543 10.54233       1.097195  11.46400       1.205260  -1.307980      2.496065  
1 1 1 6  6  24 o 9.674893 3.040895  0.2648960      0.8837013 1.530407       2.192845  0.1952330E-01  0.9655795 4.420759       6.081790  
1 1 1 6  7  0  o 52.31487 0.9563792 27.36043       0.9409482 27.23355       1.150087  27.61731       1.636434  0.000000       0.000000  
1 1 1 6  7  1  o 137.4560 1.288007  188.2513       3.486210  184.8903       4.529183  193.1376       5.461030  -2.993240      2.576013  
1 1 1 6  7  2  o 163.0614 1.401222  265.9690       4.569481  267.7222       6.501405  264.2574       6.423739  1.061707       2.802444  
1 1 1 6  7  3  o 211.3191 1.946334  447.3832       8.156464  450.8736       10.87474  442.8945       12.33221  1.906723       3.892669  
1 1 1 6  7  4  o 324.6066 2.851607  1052.084       17.85856  1044.074       22.42750  1065.962       29.52177  -3.264313      5.703213  
1 1 1 6  7  5  o 243.6334 2.144390  594.0011       10.12487  594.3115       12.82394  593.4873       16.49772  0.2022552      4.288779  
1 1 1 6  7  6  f 342.7233 3.145108  1176.828       21.36836  1167.121       32.37259  1184.323       28.44567  -2.551239      6.290216  
1 1 1 6  7  7  o 273.9237 2.335159  750.6237       12.79226  756.5603       18.21861  744.8505       17.96602  2.135620       4.670318  
1 1 1 6  7  8  o 420.1061 5.049946  1768.634       42.40005  1731.400       58.64753  1809.407       61.37059  -9.226990      10.09989  
1 1 1 6  7  9  o 205.6903 1.832256  420.6116       7.243326  432.9954       12.12841  413.7459       9.030703  4.646927       3.664512  
1 1 1 6  7  10 o 112.4338 1.277171  126.1161       2.720834  127.5557       4.679440  125.3808       3.344248  0.9520874      2.554341  
1 1 1 6  7  11 f 274.4888 2.764934  761.9478       13.90160  739.4888       25.20884  771.7625       16.66453  -6.177032      5.529869  
1 1 1 6  7  12 f 90.37531 1.019710  81.71094       1.842812  79.61477       2.593607  83.84810       2.618836  -2.341652      2.039419  
1 1 1 6  7  13 o 58.48949 0.9445634 34.35902       1.014637  33.90896       1.839944  34.55569       1.216287  -0.5671349     1.889127  
1 1 1 6  7  14 o 137.7190 1.345047  188.8196       3.647265  196.1144       5.729739  183.8501       4.729119  4.415726       2.690094  
1 1 1 6  7  15 o 153.1526 1.746171  236.7205       5.310300  219.7095       7.813323  251.3237       7.239285  -10.35555      3.492343  
1 1 1 6  7  16 o 36.02789 1.088192  12.98866       0.7740583 13.11056       1.196717  12.90097       1.014966  0.2793236      2.176383  
1 1 1 6  7  17 o 42.63567 0.9442256 18.25856       0.7908170 18.01995       1.236658  18.42364       1.028627  -0.4918709     1.888451  
1 1 1 6  7  18 o 138.3324 1.571342  193.0652       4.140104  193.0675       7.017352  193.0640       5.127590  -0.3736115     3.142683  
1 1 1 6  7  19 o 35.17030 0.9817656 12.45248       0.6842544 12.54691       0.9102342 12.32978       1.037589  0.3340683      1.963531  
1 1 1 6  7  20 o 38.46777 1.123056  15.12758       0.8412092 15.87657       1.089088  14.01987       1.324449  2.481186       2.246112  
1 1 1 6  7  21 o 33.58342 1.046912  11.41715       0.6984835 11.48198       0.9369913 11.33607       1.047896  0.2604980      2.093824  
1 1 1 6  7  22 o 17.84077 1.934855  3.518586       0.6484405 4.016103       0.8601999 2.863770       0.9868593 3.620564       3.869711  
1 1 1 6  7  23 o 10.25481 2.627532  1.123925       0.6947387 1.056192       0.9602167 1.198336       1.006430  -0.4571772     5.255064  
1 1 1 6  7  24 o 12.77101 3.063246  2.331576       1.081892  0.1108615      2.144596  3.089662       1.253021  -5.401688      6.126491  
1 1 1 6  8  0  o 87.99509 1.394506  78.41758       2.347329  74.51569       3.880323  80.66953       2.947879  0.000000       0.000000  
1 1 1 6  8  1  f 290.5011 2.671180  842.7670       15.30457  858.4718       23.80227  831.6977       19.98307  4.541260       5.342360  
1 1 1 6  8  2  o 216.5688 2.612441  0.000000       0.000000  ?              ?         469.3292       11.31546  ?              ?         
1 1 1 6  8  3  o 200.0401 1.848767  400.3452       7.319495  400.0504       9.676476  400.7393       11.19044  -0.1553040     3.697533  
1 1 1 6  8  4  o 377.2741 3.462255  1423.704       25.81002  1412.962       33.90781  1438.503       39.79724  -3.286041      6.924510  
1 1 1 6  8  5  o 225.9627 1.995033  509.9050       8.704519  507.3302       10.95061  514.3241       14.34603  -1.520752      3.990065  
1 1 1 6  8  6  o 191.6467 1.706891  363.9055       6.256495  355.8168       7.742220  379.1290       10.62143  -6.066696      3.413783  
1 1 1 6  8  7  f 286.1039 2.985556  818.5268       16.08513  817.1633       19.66690  821.2814       27.95512  -0.6409302     5.971113  
1 1 1 6  8  8  o 84.56873 1.254017  70.47640       2.104133  83.78436       3.191876  60.24858       2.798218  13.91303       2.508034  
1 1 1 6  8  9  o 225.7882 2.097672  506.8466       9.297335  527.3800       14.75642  493.3297       11.97259  7.502808       4.195345  
1 1 1 6  8  10 o 175.7364 1.581276  308.0029       5.364292  312.9747       8.862293  305.1280       6.739042  2.201157       3.162553  
1 1 1 6  8  11 o 141.5993 1.497807  199.3610       3.811771  203.6732       7.232454  197.7025       4.485268  2.053833       2.995615  
1 1 1 6  8  12 o 83.21179 0.9751245 69.28193       1.622535  68.89335       2.313335  69.65816       2.276336  -0.4602051     1.950249  
1 1 1 6  8  13 o 165.7952 1.579352  275.2183       5.189241  276.4948       7.897804  274.2485       6.883668  0.6370697      3.158703  
1 1 1 6  8  14 f 39.11681 1.036300  15.44182       0.7995753 14.45942       1.214272  16.19387       1.062421  -2.221447      2.072600  
1 1 1 6  8  15 o 14.15092 2.583066  2.162165       0.7075985 1.721346       1.278454  2.356844       0.8495981 -1.833213      5.166132  
1 1 1 6  8  16 o 24.32857 1.478566  5.572954       0.6765097 4.942194       0.8094645 7.034112       1.232010  -4.260162      2.957133  
1 1 1 6  8  17 o 24.46758 1.162944  5.993927       0.5682678 5.581976       0.7833940 6.451428       0.8255675 -1.771984      2.325888  
1 1 1 6  8  18 o 68.26048 0.9725432 46.77776       1.326562  47.31276       1.844054  46.20396       1.909753  0.8204803      1.945086  
1 1 1 6  8  19 o 16.80345 2.154649  2.977728       0.6305711 3.007409       0.7420776 2.900623       1.196061  0.8367500      4.309297  
1 1 1 6  8  20 o 24.45068 1.335392  5.978704       0.6485562 6.952838       0.9836379 5.229516       0.8626240 3.480011       2.670785  
1 1 1 6  8  21 o 20.09332 1.522332  4.181379       0.6015160 4.459836       0.7992484 3.817624       0.9134979 1.660490       3.044665  
1 1 1 6  8  22 o 40.21388 1.043148  16.48042       0.8381308 17.34357       1.186437  15.62060       1.184158  2.140831       2.086297  
1 1 1 6  8  23 o 16.16760 2.466786  2.951058       0.7546137 2.593881       0.9460613 3.575744       1.251147  -2.350816      4.933572  
1 1 1 6  8  24 o 12.69752 3.359125  2.266975       1.091868  2.084502       2.276570  2.321488       1.244321  -0.8159962     6.718251  
1 1 1 6  9  0  o 234.8145 2.837979  552.1704       13.31709  546.0095       18.63037  558.6071       19.04283  0.000000       0.000000  
1 1 1 6  9  1  o 212.2869 2.219861  452.2305       8.921917  447.5104       15.28507  454.6697       10.98801  -1.750046      4.439721  
1 1 1 6  9  2  o 90.18987 0.8955561 80.62370       1.582911  84.91574       2.531511  77.86831       2.028338  3.904137       1.791112  
1 1 1 6  9  3  o 82.47319 0.8946126 67.69025       1.470106  64.37677       1.978254  71.77699       2.196995  -4.485390      1.789225  
1 1 1 6  9  4  f 406.9066 3.565087  1659.669       28.12863  1663.696       35.67548  1653.053       45.73105  1.465668       7.130174  
1 1 1 6  9  5  o 350.1575 3.074069  1228.570       20.88457  1232.483       26.51725  1222.177       33.89214  1.555542       6.148139  
1 1 1 6  9  6  o 34.70935 1.128017  12.04804       0.7830548 12.04804       0.7830548 ?              ?         ?              ?         
1 1 1 6  9  7  o 205.6256 1.906148  423.7394       7.783522  429.7133       10.44585  416.2821       11.67087  3.274124       3.812296  
1 1 1 6  9  8  o 329.0936 2.880059  1091.836       18.57011  1124.806       24.16455  1044.280       29.02184  12.29727       5.760119  
1 1 1 6  9  9  o 191.8115 2.346329  367.8908       8.992870  358.6075       12.40224  378.1832       13.05882  -5.091705      4.692658  
1 1 1 6  9  10 o 179.5726 1.561257  322.5722       5.605598  318.1778       7.816545  327.2252       8.043344  -2.515594      3.122515  
1 1 1 6  9  11 o 224.4673 1.933880  504.4961       8.680282  499.0124       12.13762  510.2367       12.41875  -2.492523      3.867759  
1 1 1 6  9  12 o 52.44482 0.8171237 27.54092       0.8509481 27.74229       1.139601  27.28713       1.279327  0.4360619      1.634247  
1 1 1 6  9  13 f 58.78703 0.9739644 33.59525       1.057771  37.14308       1.949052  32.11401       1.259371  4.260590       1.947929  
1 1 1 6  9  14 o 107.0772 1.100676  114.9942       2.339248  116.6625       3.133937  112.8954       3.515183  1.771408       2.201353  
1 1 1 6  9  15 o 134.4610 1.312354  181.4806       3.504128  177.9351       5.251519  184.3261       4.704633  -2.402481      2.624708  
1 1 1 6  9  16 o 47.76646 0.8847451 22.82055       0.8367050 22.65033       1.105501  23.04881       1.280183  -0.4071083     1.769490  
1 1 1 6  9  17 o 36.96679 0.9615934 13.48452       0.6995155 12.57351       0.8995934 14.87782       1.112513  -3.096199      1.923187  
1 1 1 6  9  18 o 120.2287 1.218912  145.6737       2.910517  142.4589       4.355248  148.2680       3.912450  -2.486816      2.437824  
1 1 1 6  9  19 o 35.67777 0.9700255 12.81115       0.6894943 12.90777       0.9368840 12.69699       1.018392  0.3124466      1.940051  
1 1 1 6  9  20 o 39.07439 1.160293  15.38469       0.8982445 15.08972       1.186527  15.78069       1.374782  -0.8222771     2.320587  
1 1 1 6  9  21 o 43.96915 0.9389960 19.49535       0.8231057 19.36718       1.118625  19.64667       1.215494  -0.2850647     1.877992  
1 1 1 6  9  22 o 24.75579 1.444036  6.353196       0.7148986 6.473903       1.017035  6.235303       1.005109  0.4711609      2.888072  
1 1 1 6  9  23 o 16.52418 2.368651  3.257150       0.7406076 3.590301       0.9401196 2.712206       1.202370  3.402680       4.737303  
1 1 1 6  9  24 o 8.049305 2.688417  -0.3388505     0.9442378 -1.136174      2.182820  -0.1553079     1.047295  1.541203       5.376835  
1 1 1 6  10 0  o 131.3597 1.986243  173.4185       4.947230  171.0413       8.421481  174.6711       6.113292  0.000000       0.000000  
1 1 1 6  10 1  o 184.2663 1.713054  339.4505       6.240726  341.4445       9.592372  337.9872       8.217679  0.9237213      3.426109  
1 1 1 6  10 2  o 315.4353 2.897107  997.7582       18.13069  984.5160       27.33408  1008.161       24.22744  -3.797852      5.794214  
1 1 1 6  10 3  o 136.8721 1.383512  187.2490       3.785090  191.2872       5.466353  183.5294       5.246277  2.832504       2.767024  
1 1 1 6  10 4  o 369.1337 3.384227  1366.037       24.77486  1351.541       37.44334  1377.326       33.04189  -3.553436      6.768454  
1 1 1 6  10 5  o 213.7065 2.246501  456.1455       9.033100  454.6313       11.03080  459.2279       15.73878  -1.039917      4.493001  
1 1 1 6  10 6  o 109.9183 1.080445  121.1850       2.367222  126.3959       3.262800  115.3938       3.439717  5.005226       2.160889  
1 1 1 6  10 7  o 193.3230 2.026499  377.8318       7.523518  388.6105       9.478850  359.4799       12.36834  7.556366       4.052997  
1 1 1 6  10 8  o 176.4136 1.879936  311.3267       6.253940  311.2467       7.659630  311.4866       10.83172  -0.3981018E-01 3.759872  
1 1 1 6  10 9  o 137.9567 1.323676  190.4552       3.617716  190.8366       4.800390  189.9538       5.503911  0.3272858      2.647351  
1 1 1 6  10 10 o 263.9985 2.262553  697.8477       11.94346  689.6284       16.67725  706.5015       17.11236  -3.185089      4.525107  
1 1 1 6  10 11 o 23.41698 1.275049  5.471046       0.5951976 4.877325       0.8197466 6.133042       0.8655965 -2.680359      2.550098  
1 1 1 6  10 12 o 83.22133 1.024772  68.31796       1.607345  66.45689       1.955143  72.19857       2.823238  -3.432579      2.049544  
1 1 1 6  10 13 o 125.2292 1.230382  157.3024       3.062333  154.0822       4.569087  159.9286       4.126274  -2.347923      2.460763  
1 1 1 6  10 14 o 56.73042 0.9715465 32.13143       1.095644  31.52550       1.464499  32.90171       1.651196  -1.207355      1.943093  
1 1 1 6  10 15 o 71.56755 0.9040224 51.21282       1.283611  51.66637       1.946188  50.86362       1.707703  0.5526505      1.808045  
1 1 1 6  10 16 o 82.65886 0.8868104 68.42612       1.465741  68.52671       2.052566  68.32149       2.093791  0.1265259      1.773621  
1 1 1 6  10 17 o 82.27115 1.045566  68.17616       1.642456  68.83895       2.044544  66.97008       2.757991  1.211914       2.091131  
1 1 1 6  10 18 o 74.18343 0.9375446 55.42098       1.380376  53.48131       2.063938  56.99076       1.856750  -2.392365      1.875089  
1 1 1 6  10 19 o 48.81308 0.9661360 23.91971       0.9306614 24.21307       1.442116  23.71034       1.218316  0.4690971      1.932272  
1 1 1 6  10 20 o 26.40984 1.288270  7.030468       0.6729229 5.690425       0.9169441 8.594556       0.9906359 -5.471073      2.576540  
1 1 1 6  10 21 o 27.91131 1.236369  7.996190       0.6828361 8.724341       0.9309637 7.148317       1.004585  2.857428       2.472739  
1 1 1 6  10 22 o 21.16090 1.642505  4.737728       0.6869606 4.995698       0.9219674 4.415758       1.030004  1.486279       3.285009  
1 1 1 6  10 23 o 28.67761 2.181130  9.851590       1.123199  7.160287       1.867274  11.37747       1.406004  -8.197681      4.362260  
1 1 1 6  10 24 f 26.34973 2.381599  9.083887       1.011987  6.408201       1.817545  10.28608       1.218300  -9.270533      4.763198  
1 1 1 6  11 0  o 120.5816 1.860138  144.9381       4.192494  143.6607       5.086999  147.6431       7.402538  0.000000       0.000000  
1 1 1 6  11 1  o 183.5249 1.703001  337.6009       6.206307  342.5782       8.329329  331.3883       9.305701  3.057373       3.406003  
1 1 1 6  11 2  o 175.8599 1.634720  310.0611       5.712692  315.7639       7.695701  303.0615       8.525864  3.618073       3.269441  
1 1 1 6  11 3  o 470.3436 4.885899  2226.258       43.55607  2242.766       53.73925  2194.648       74.36227  5.542145       9.771797  
1 1 1 6  11 4  o 427.3452 3.626718  1828.793       30.99709  1831.355       43.90707  1826.248       43.76628  0.5955505      7.253435  
1 1 1 6  11 5  o 360.3767 3.157046  1304.069       22.15183  1318.697       28.34564  1281.121       35.50441  5.282562       6.314092  
1 1 1 6  11 6  o 320.0024 3.214633  1030.356       18.73837  1038.145       22.33846  1011.860       34.42149  4.226929       6.429267  
1 1 1 6  11 7  o 139.1875 1.563118  193.7595       4.351329  193.7595       4.351329  ?              ?         ?              ?         
1 1 1 6  11 8  o 110.7831 1.261085  121.5846       2.601993  119.5951       3.137877  125.9639       4.655386  -2.864288      2.522171  
1 1 1 6  11 9  o 79.00591 0.8550391 62.74595       1.313156  63.81170       1.678372  61.06390       2.108548  1.742065       1.710078  
1 1 1 6  11 10 o 250.5807 2.221094  628.3775       10.75983  626.7701       13.56917  631.1002       17.66016  -0.7584839     4.442187  
1 1 1 6  11 11 o 179.7336 1.568864  322.8535       5.632785  333.7668       8.213517  313.1634       7.739519  5.720367       3.137727  
1 1 1 6  11 12 o 76.86205 0.9922596 58.90556       1.456271  58.42587       1.804453  59.80159       2.466195  -0.8815231     1.984519  
1 1 1 6  11 13 o 89.53963 0.9217468 80.13620       1.649357  78.17209       2.278364  82.29892       2.390779  -2.301857      1.843494  
1 1 1 6  11 14 o 94.96011 1.179953  88.29902       2.067192  95.41212       3.799336  85.30775       2.463803  5.270370       2.359905  
1 1 1 6  11 15 o 56.53745 0.8436238 31.93911       0.9526578 31.04391       1.307386  32.95250       1.391024  -1.685017      1.687248  
1 1 1 6  11 16 o 88.87526 0.9230027 79.06773       1.639932  77.60859       2.278901  80.63489       2.361743  -1.697472      1.846005  
1 1 1 6  11 17 o 42.77315 0.8818992 18.33715       0.7538280 18.32290       1.045191  18.35260       1.088261  -0.3071976E-01 1.763798  
1 1 1 6  11 18 o 46.37844 0.9941744 21.33022       0.9159861 19.20271       1.213489  24.14785       1.396507  -5.302582      1.988349  
1 1 1 6  11 19 o 59.20869 0.9268261 35.03302       1.079639  36.34264       1.699853  34.14751       1.397773  1.794884       1.853652  
1 1 1 6  11 20 o 65.72204 0.9079046 43.49489       1.192072  43.20597       1.723618  43.75980       1.650450  -0.4403839     1.815809  
1 1 1 6  11 21 o 28.98311 1.258780  8.750819       0.7109050 9.826394       0.9465181 7.358845       1.076772  4.321348       2.517561  
1 1 1 6  11 22 o 14.12571 2.601516  2.297984       0.7451090 2.815036       1.116479  1.882758       1.000519  2.842604       5.203033  
1 1 1 6  11 23 f 12.93480 3.116181  2.171267       0.9699572 2.389541       1.203284  1.766286       1.639022  1.656857       6.232362  
1 1 1 6  11 24 o 11.11248 2.831474  1.622760       0.7996054 1.504914       1.307401  1.693182       1.010665  -0.5596752     5.662949  
1 1 1 6  12 0  o 214.8332 2.606385  462.1424       11.19124  460.7480       15.77631  463.5548       15.87777  0.000000       0.000000  
1 1 1 6  12 1  o 160.7172 1.507034  258.2840       4.792027  257.7455       6.326600  259.0089       7.339564  -0.3860321     3.014068  
1 1 1 6  12 2  o 175.5099 1.519220  308.1153       5.332614  307.0247       7.508483  309.2253       7.574867  -0.6264801     3.038440  
1 1 1 6  12 3  o 59.10651 0.7734745 34.88504       0.9133475 36.02908       1.329980  33.86393       1.256488  1.831352       1.546949  
1 1 1 6  12 4  o 204.2516 1.756224  417.2587       7.173477  413.9593       10.05783  420.6746       10.23412  -1.642822      3.512449  
1 1 1 6  12 5  o 293.1674 2.498615  859.9155       14.65020  858.9898       20.68764  860.8468       20.74953  -0.3162231     4.997231  
1 1 1 6  12 6  o 306.8853 4.159830  934.5835       20.13303  929.1169       22.37474  957.8365       46.14701  -4.347473      8.319660  
1 1 1 6  12 7  o 229.8549 2.335021  530.0429       9.738450  531.9150       11.56557  525.4819       18.05273  1.464935       4.670041  
1 1 1 6  12 8  o 114.2268 1.221131  130.3513       2.786971  133.9888       4.051074  127.0828       3.840127  3.021301       2.442261  
1 1 1 6  12 9  o 111.0863 1.063635  123.8150       2.295998  125.0590       2.927474  121.8270       3.700892  1.462166       2.127270  
1 1 1 6  12 10 o 74.27217 1.016679  53.30156       1.375863  50.81427       1.620150  59.73485       2.605604  -5.992683      2.033359  
1 1 1 6  12 11 o 115.8229 1.158627  134.1882       2.656474  133.9260       3.512906  134.5384       4.059802  -0.2541199     2.317254  
1 1 1 6  12 12 o 107.4750 1.027874  115.5947       2.209258  116.3637       3.112604  114.8139       3.136254  0.7215576      2.055747  
1 1 1 6  12 13 o 135.2338 1.501512  183.9444       3.849768  185.6033       4.752998  180.7803       6.564232  1.852798       3.003025  
1 1 1 6  12 14 o 46.67027 0.8961332 21.59136       0.8314985 19.98996       1.104831  23.68332       1.262764  -3.952194      1.792266  
1 1 1 6  12 15 o 75.52818 0.9588681 57.25034       1.422555  57.86481       1.850836  56.36335       2.223686  1.009949       1.917736  
1 1 1 6  12 16 o 141.9974 1.286685  202.3021       3.653883  200.9147       5.132251  203.7283       5.203223  -0.9840698     2.573371  
1 1 1 6  12 17 o 46.12840 0.8413547 21.27964       0.7742453 20.74442       1.052666  21.91041       1.142773  -1.255833      1.682709  
1 1 1 6  12 18 o 12.41917 2.231670  1.643943       0.5525206 1.678937       0.7319855 1.597601       0.8423511 0.3091288      4.463341  
1 1 1 6  12 19 o 21.07413 1.682659  4.284491       0.6672747 3.875976       0.8008897 5.211720       1.206597  -3.022062      3.365318  
1 1 1 6  12 20 o 10.80989 2.335052  1.159542       0.5721077 0.6781440      0.7713965 1.748031       0.8528929 -3.798705      4.670105  
1 1 1 6  12 21 o 30.55088 1.218134  9.579333       0.7301863 10.02491       0.9585285 8.963240       1.127113  1.817583       2.436267  
1 1 1 6  12 22 o 17.11938 2.063978  3.196465       0.6881057 3.130988       0.9257955 3.277283       1.028553  -0.1611710E-01 4.127956  
1 1 1 6  12 23 f 21.57400 2.330781  5.232154       0.8458275 5.111607       0.9797885 5.584795       1.675792  0.6583405      4.661562  
1 1 1 6  12 24 o 11.18837 2.869904  1.532285       0.9099205 2.551538       1.272464  0.4656942      1.301677  4.671330       5.739807  
1 1 1 6  13 0  o 326.1537 3.931560  1063.253       25.58417  1027.383       34.95336  1104.648       37.54885  0.000000       0.000000  
1 1 1 6  13 1  o 278.4763 2.375394  775.5388       13.22380  790.6153       19.05170  761.5226       18.36951  5.216858       4.750789  
1 1 1 6  13 2  o 164.2295 1.429568  269.6128       4.693441  274.9202       6.761203  264.6768       6.520400  3.117279       2.859137  
1 1 1 6  13 3  o 229.3433 2.126190  524.7642       9.614514  517.7404       12.54311  534.7700       14.97067  -3.694565      4.252380  
1 1 1 6  13 4  o 383.5569 3.519451  1472.880       26.72646  1473.866       35.38354  1471.572       40.78273  0.3564453      7.038902  
1 1 1 6  13 5  o 200.2231 2.099844  406.6976       8.111431  424.1268       10.32613  378.6140       13.10769  11.38344       4.199689  
1 1 1 6  13 6  o 198.1296 2.089756  392.8374       7.815675  393.0235       9.583986  392.4679       13.50401  0.1722412      4.179513  
1 1 1 6  13 7  o 106.1095 1.091887  112.5970       2.298137  112.5066       3.059533  112.7141       3.481270  -0.9556580E-01 2.183774  
1 1 1 6  13 8  o 312.0825 2.879636  974.1441       17.75250  966.0425       23.30066  985.3540       27.40816  -3.005219      5.759271  
1 1 1 6  13 9  o 70.93008 0.8659374 49.57209       1.194134  47.30125       1.504725  53.43507       1.962572  -4.319916      1.731875  
1 1 1 6  13 10 o 153.1986 1.393006  236.1289       4.167896  240.9184       5.375309  228.9082       6.600019  3.943100       2.786013  
1 1 1 6  13 11 o 197.7946 1.722108  391.4759       6.808622  401.2902       9.832578  382.4348       9.437275  4.754410       3.444215  
1 1 1 6  13 12 o 57.46956 0.9917703 33.15470       1.130421  33.91686       1.514157  32.19500       1.699091  1.502613       1.983541  
1 1 1 6  13 13 o 84.00993 1.053941  70.48953       1.768981  74.51309       2.569444  66.86391       2.439077  4.548828       2.107882  
1 1 1 6  13 14 o 13.95132 2.243211  1.926743       0.6514009 0.9789894      0.8749411 3.105392       0.9757160 -7.276841      4.486423  
1 1 1 6  13 15 o 85.77608 1.000920  73.56129       1.684193  73.07112       2.175542  74.29442       2.660639  -0.6884766     2.001839  
1 1 1 6  13 16 o 64.85264 0.8470556 42.01465       1.094894  40.82156       1.479434  43.45945       1.628038  -2.023212      1.694111  
1 1 1 6  13 17 o 75.72827 0.9284174 57.30981       1.379418  56.53167       1.779611  58.48101       2.183280  -1.245857      1.856835  
1 1 1 6  13 18 o 23.44315 1.411266  5.564613       0.6416732 5.602880       0.8154134 5.502373       1.039917  0.2719765      2.822531  
1 1 1 6  13 19 o 40.08410 0.9236042 16.14487       0.7383777 16.03197       1.005769  16.27685       1.087456  -0.2885666     1.847208  
1 1 1 6  13 20 o 33.40822 1.063984  11.28862       0.7065099 11.49209       0.9527889 11.04008       1.053026  0.7074509      2.127967  
1 1 1 6  13 21 o 35.89648 1.014292  13.06559       0.7208981 15.45266       1.033937  10.80731       1.005659  6.459660       2.028583  
1 1 1 6  13 22 o 8.407837 2.425580  0.2445415      0.7013747 0.9823168      0.9587456 -0.6048836     1.028736  3.029670       4.851160  
1 1 1 6  13 23 o 8.895941 2.573010  0.6199732      0.7318145 0.8229128      0.9543601 0.3303408      1.140125  0.6584864      5.146020  
1 1 1 6  14 0  f 256.8512 3.110731  660.5527       15.96784  654.2789       22.39071  667.0455       22.77814  0.000000       0.000000  
1 1 1 6  14 1  o 199.1437 1.717836  396.6920       6.841743  395.0534       9.633737  398.3594       9.718186  -0.8295288     3.435672  
1 1 1 6  14 2  o 90.62023 0.8750637 82.12650       1.585944  82.11252       2.249211  82.14032       2.236569  -0.1538086E-01 1.750127  
1 1 1 6  14 3  o 172.7196 1.501280  298.3737       5.185952  299.5866       7.355101  297.1745       7.313166  0.6980896      3.002560  
1 1 1 6  14 4  o 562.7615 5.157156  3172.226       57.39939  3186.573       88.07094  3161.632       75.68065  2.026489       10.31431  
1 1 1 6  14 5  o 136.7602 1.490415  187.6104       3.863696  188.7674       4.765299  185.3902       6.600932  1.244247       2.980830  
1 1 1 6  14 6  o 280.8902 2.593339  788.1003       14.37821  780.2422       18.82448  799.1046       22.27632  -3.318848      5.186678  
1 1 1 6  14 7  o 424.9645 4.174252  1810.881       35.47799  1807.398       50.07439  1814.391       50.27311  -0.8182068     8.348504  
1 1 1 6  14 8  o 119.8802 1.195498  144.0892       2.859751  152.3291       3.996247  135.4406       4.094127  7.044853       2.390995  
1 1 1 6  14 9  o 152.3107 1.387594  233.5541       4.134551  239.3398       5.355696  225.0198       6.504618  4.718369       2.775187  
1 1 1 6  14 10 o 102.9009 1.074014  105.7269       2.188368  104.4831       2.889667  107.3993       3.350956  -1.409813      2.148027  
1 1 1 6  14 11 o 51.52046 0.8443334 26.53469       0.8347747 26.48645       1.042323  26.62098       1.394020  -0.1250191     1.688667  
1 1 1 6  14 12 o 184.2874 1.871801  340.4669       6.898899  342.8239       9.768100  338.1209       9.744976  1.274902       3.743602  
1 1 1 6  14 13 o 127.4465 1.285502  162.4337       3.239007  164.0222       4.983324  161.2718       4.262073  1.052475       2.571004  
1 1 1 6  14 14 o 72.10931 1.109935  50.63330       1.464628  55.58464       2.740587  48.65380       1.732839  4.767212       2.219871  
1 1 1 6  14 15 o 55.56612 0.9048964 30.86997       1.000722  30.44857       1.345952  31.39089       1.496451  -0.8399429     1.809793  
1 1 1 6  14 16 o 45.48045 0.9042876 20.63508       0.8187862 19.81022       1.097911  21.66874       1.229028  -2.032230      1.808575  
1 1 1 6  14 17 o 42.14063 1.042187  17.84778       0.8772147 18.58444       1.228127  17.08050       1.253397  1.787632       2.084373  
1 1 1 6  14 18 o 28.58417 1.213495  8.018897       0.6756221 7.355528       0.8492634 9.162493       1.115067  -3.100878      2.426991  
1 1 1 6  14 19 o 42.15737 1.047260  17.66072       0.8732101 19.48188       1.361835  16.38919       1.137921  3.613026       2.094519  
1 1 1 6  14 20 o 29.67971 1.166463  8.910714       0.6888319 8.820230       0.9262014 9.022706       1.030423  -0.3008728     2.332925  
1 1 1 6  14 21 o 23.71515 1.448339  5.788161       0.6793054 5.920030       0.9027842 5.616051       1.031372  0.7205334      2.896677  
1 1 1 6  14 22 o 37.73890 1.089031  14.59100       0.8211321 15.43400       1.167317  13.76527       1.155289  2.201412       2.178062  
1 1 1 6  14 23 o 25.42345 1.634374  6.928998       0.8276383 6.676006       1.113774  7.240958       1.236781  -0.9087238     3.268749  
1 1 1 6  15 0  o 138.9906 1.746822  193.3709       4.851995  195.1110       6.917039  191.6852       6.807778  0.000000       0.000000  
1 1 1 6  15 1  o 405.5307 3.444637  1646.282       27.93757  1652.819       39.66100  1639.844       39.36010  1.596436       6.889275  
1 1 1 6  15 2  o 402.4996 3.419591  1621.682       27.52763  1620.607       38.88885  1622.762       38.97118  -0.2668457     6.839181  
1 1 1 6  15 3  o 301.4379 2.571104  909.0692       15.49930  903.1894       21.75449  915.1306       22.08794  -1.978149      5.142208  
1 1 1 6  15 4  o 228.0780 2.116266  520.7473       9.562833  517.9550       14.53530  522.8784       12.69793  -1.092163      4.232532  
1 1 1 6  15 5  o 182.7285 1.716257  334.2579       6.215136  335.8810       8.262167  332.1424       9.432755  1.031082       3.432513  
1 1 1 6  15 6  o 335.4030 3.083311  1128.247       20.52621  1142.264       27.48463  1110.571       30.86551  4.773193       6.166622  
1 1 1 6  15 7  o 140.9119 1.353393  198.8029       3.782925  197.2850       5.716982  199.9851       5.045454  -0.9643402     2.706786  
1 1 1 6  15 8  o 449.0008 3.949252  2025.584       34.37215  2030.043       43.57526  2018.240       55.92149  1.756226       7.898505  
1 1 1 6  15 9  o 40.18804 1.117344  16.65325       0.8622277 18.31555       1.110939  14.13502       1.367358  5.204674       2.234687  
1 1 1 6  15 10 o 212.9454 1.908237  452.4517       7.832050  447.8040       9.816399  460.5922       12.99168  -2.910416      3.816473  
1 1 1 6  15 11 f 158.2985 1.676788  245.7484       4.657466  240.2885       5.386248  261.9289       9.272351  -6.706345      3.353577  
1 1 1 6  15 12 o 181.2692 1.840599  329.3228       6.672200  333.0134       9.519343  325.7588       9.354643  1.993423       3.681199  
1 1 1 6  15 13 o 108.1421 1.151656  117.3683       2.480433  113.5816       3.644997  120.6343       3.385126  -3.269997      2.303312  
1 1 1 6  15 14 o 106.0989 1.157331  111.2090       2.380048  106.8563       2.988555  118.7564       3.935349  -5.567749      2.314662  
1 1 1 6  15 15 o 97.29593 0.9903315 94.84530       1.926850  95.64029       2.710310  94.03286       2.739885  0.8279495      1.980663  
1 1 1 6  15 16 o 83.58633 0.9090410 70.00121       1.518584  69.38067       2.104099  70.67587       2.193920  -0.7667694     1.818082  
1 1 1 6  15 17 o 63.46777 0.9114770 40.49694       1.152697  39.18217       1.688569  41.64433       1.577420  -1.952778      1.822954  
1 1 1 6  15 18 o 40.44910 1.138563  16.44669       0.9165070 16.12455       1.230854  16.84757       1.373047  -0.8606567     2.277126  
1 1 1 6  15 19 o 31.46018 1.262759  9.963969       0.7922800 11.06379       1.162243  9.009239       1.082869  3.239994       2.525517  
1 1 1 6  15 20 o 21.29498 1.491660  4.628185       0.6343215 4.360905       0.8692294 4.932673       0.9277606 -1.309570      2.983320  
1 1 1 6  15 21 o 42.09684 1.011771  17.59594       0.8352516 16.09431       1.063666  20.01123       1.348987  -4.496696      2.023541  
1 1 1 6  15 22 o 28.37928 1.758431  8.272462       0.9769564 7.021205       1.236762  10.34893       1.593221  -5.374475      3.516861  
1 1 1 6  15 23 f 22.85113 2.023874  5.800585       0.9072533 5.735148       1.175368  5.897046       1.427043  0.1441269      4.047748  
1 1 1 6  16 0  o 166.8908 2.066943  278.7968       6.893607  276.6239       9.664815  281.0472       9.835490  0.000000       0.000000  
1 1 1 6  16 1  o 243.1722 2.085043  591.5170       10.14016  588.6896       14.27090  594.4000       14.41083  -1.173264      4.170086  
1 1 1 6  16 2  o 304.7938 2.598893  929.3772       15.84051  920.8348       22.19003  938.2536       22.61989  -2.854126      5.197785  
1 1 1 6  16 3  o 71.42135 0.8742787 50.66699       1.226496  49.24980       1.581050  52.80866       1.943599  -2.490417      1.748557  
1 1 1 6  16 4  o 412.7269 4.538185  1702.710       36.56601  1686.635       46.76756  1727.993       58.65152  -4.804291      9.076370  
1 1 1 6  16 5  o 205.8350 1.780345  423.7023       7.327111  429.7375       10.51213  417.9997       10.21831  2.848969       3.560690  
1 1 1 6  16 6  o 203.1689 2.271563  412.1857       9.016889  417.3886       14.42459  408.8487       11.55211  2.065964       4.543125  
1 1 1 6  16 7  o 172.1299 1.508362  296.4261       5.192551  298.4494       7.375405  294.4376       7.311761  1.164566       3.016724  
1 1 1 6  16 8  o 234.0384 2.182169  548.1635       10.10653  546.2374       13.34712  550.7520       15.47292  -0.9172974     4.364337  
1 1 1 6  16 9  o 15.05900 2.154081  2.502218       0.6101355 2.994345       0.7723228 1.685147       0.9951549 4.473688       4.308162  
1 1 1 6  16 10 o 100.2628 1.203948  101.0573       2.292483  102.0883       2.836272  99.11433       3.893430  1.504333       2.407897  
1 1 1 6  16 11 o 54.33073 0.9399832 29.50010       1.015110  34.16629       1.469510  25.24127       1.403901  8.212185       1.879966  
1 1 1 6  16 12 o 51.66533 0.9932091 26.79775       0.9228252 26.90862       1.089665  26.51653       1.735385  0.3955307      1.986418  
1 1 1 6  16 13 o 154.0649 1.515663  237.7832       4.606857  237.3920       6.036259  238.3288       7.129530  -0.2504730     3.031325  
1 1 1 6  16 14 o 116.7579 1.231930  136.5116       2.825932  136.2965       3.666779  136.8261       4.434806  -0.1886597     2.463859  
1 1 1 6  16 15 o 99.64151 1.015559  99.37607       2.022828  103.3731       2.912135  95.64943       2.811917  3.869057       2.031118  
1 1 1 6  16 16 o 28.48979 1.336398  8.422840       0.7247314 9.170206       0.9206707 7.205271       1.175127  3.482704       2.672797  
1 1 1 6  16 17 o 20.32359 1.548112  4.144603       0.6272101 3.883249       0.8462270 4.463202       0.9343190 -1.408445      3.096224  
1 1 1 6  16 18 o 27.13014 1.262710  7.276061       0.6732147 6.651366       0.8612777 8.257146       1.079351  -2.899857      2.525419  
1 1 1 6  16 19 o 38.02008 1.024423  14.47138       0.7690995 13.95556       1.002821  15.20813       1.198490  -1.591454      2.048846  
1 1 1 6  16 20 o 22.63999 1.605205  5.177368       0.7115369 4.871630       0.9065061 5.668037       1.148392  -1.617723      3.210409  
1 1 1 6  16 21 o 16.23655 2.372118  2.966599       0.7450351 2.739882       1.043750  3.202116       1.063814  -1.396492      4.744235  
1 1 1 6  16 22 o 43.68044 1.359823  20.04881       1.167283  18.66941       1.786275  21.07685       1.542089  -3.013226      2.719646  
1 1 1 6  16 23 o 20.33361 1.965398  4.577847       0.7955720 4.026927       1.095424  5.192811       1.157346  -2.743567      3.930795  
1 1 1 6  17 0  o 34.31933 1.324124  11.87927       0.9010844 12.96181       1.291954  10.85385       1.257400  0.000000       0.000000  
1 1 1 6  17 1  o 378.5090 3.218864  1434.000       24.36691  1439.488       34.58938  1428.593       34.33210  1.436584       6.437728  
1 1 1 6  17 2  o 245.7191 2.281270  602.2723       11.05181  593.5706       14.41297  614.6901       17.21758  -4.275620      4.562541  
1 1 1 6  17 3  o 124.7484 1.391651  156.5718       3.307579  158.7293       4.110556  152.6091       5.570726  2.460701       2.783301  
1 1 1 6  17 4  o 505.8588 4.296349  2564.625       43.46577  2575.663       61.73917  2553.779       61.20411  2.153076       8.592697  
1 1 1 6  17 5  o 544.0072 5.667646  2974.183       58.16993  2967.752       100.5387  2977.418       71.31954  -1.686707      11.33529  
1 1 1 6  17 6  o 189.5947 1.782210  359.4136       6.681243  361.5072       10.26443  357.8743       8.800920  0.9398041      3.564420  
1 1 1 6  17 7  o 142.3976 1.478244  202.7644       4.208033  206.5966       6.062871  199.2025       5.845210  2.593414       2.956488  
1 1 1 6  17 8  o 306.9657 2.624181  944.3953       16.11047  941.4742       22.71521  947.3519       22.85271  -0.9531860     5.248361  
1 1 1 6  17 9  o 281.0825 2.482868  798.0811       13.68296  824.7433       17.84820  760.0727       21.31006  11.62845       4.965736  
1 1 1 6  17 10 o 204.4778 1.918526  419.6928       7.789081  425.6266       10.44772  412.2677       11.68702  3.310745       3.837052  
1 1 1 6  17 11 o 39.82107 1.200973  16.13268       0.8857434 16.58576       1.075322  15.17658       1.562088  1.783768       2.401946  
1 1 1 6  17 12 o 164.2924 1.810489  267.3498       5.498246  262.2485       6.585350  279.0897       9.990091  -4.960342      3.620979  
1 1 1 6  17 13 o 166.2077 1.728747  276.8481       5.742228  272.5272       7.942113  281.5808       8.311979  -2.702072      3.457495  
1 1 1 6  17 14 o 106.6530 1.068658  113.9194       2.279158  116.6215       3.233159  111.2502       3.213365  2.517143       2.137316  
1 1 1 6  17 15 o 109.4520 1.086940  120.1253       2.378197  121.5558       3.323951  118.6251       3.404035  1.345085       2.173879  
1 1 1 6  17 16 o 13.02771 2.419778  1.836130       0.6432090 2.141749       0.8344130 1.388598       1.009725  2.488670       4.839557  
1 1 1 6  17 17 o 30.35369 1.385403  8.831816       0.7653819 8.238274       0.8973739 10.41610       1.466100  -3.461872      2.770807  
1 1 1 6  17 18 o 69.10018 1.034481  47.78259       1.382661  49.10899       2.278309  47.00925       1.739649  1.402756       2.068961  
1 1 1 6  17 19 o 24.65586 1.402523  6.244254       0.6764936 6.544724       0.8832311 5.817811       1.052215  1.541739       2.805045  
1 1 1 6  17 20 o 67.44557 0.9105092 45.88608       1.227531  45.87054       1.708095  45.90269       1.765301  -0.4425049E-02 1.821018  
1 1 1 6  17 21 o 29.64013 1.440122  8.757527       0.8300268 7.694540       1.036785  10.65488       1.385157  -4.675552      2.880244  
1 1 1 6  17 22 o 11.47610 2.754918  1.498059       0.7983379 2.186705       1.118989  0.7841551      1.139325  3.773400       5.509836  
1 1 1 6  17 23 o 27.97567 1.492253  8.357288       0.8285325 7.940340       1.095741  8.913944       1.266074  -1.434587      2.984507  
1 1 1 6  18 0  o 242.0573 3.610276  588.9629       16.56094  593.0475       20.45023  581.1805       28.22811  0.000000       0.000000  
1 1 1 6  18 1  o 394.2404 3.637577  1546.071       28.15804  1504.011       36.27647  1609.821       44.66138  -13.30411      7.275153  
1 1 1 6  18 2  o 246.4115 2.290731  606.5087       11.14522  601.1229       14.60809  614.0103       17.24039  -2.590790      4.581462  
1 1 1 6  18 3  o 315.1302 2.692918  993.7798       16.96994  984.2022       23.75732  1003.757       24.24846  -3.096954      5.385837  
1 1 1 6  18 4  o 46.23386 0.9495216 21.16792       0.8725367 19.58183       1.157710  23.25356       1.327562  -3.970070      1.899043  
1 1 1 6  18 5  o 97.56424 1.103761  94.88713       2.148867  90.67916       2.921433  99.84760       3.171910  -4.696945      2.207521  
1 1 1 6  18 6  o 80.59987 0.8765207 64.95621       1.412745  66.22894       2.018038  63.73300       1.978397  1.548073       1.753041  
1 1 1 6  18 7  o 70.14729 0.8325132 49.17024       1.167420  47.59766       1.621715  50.86169       1.681890  -2.326050      1.665026  
1 1 1 6  18 8  o 94.42983 1.013127  88.99400       1.887023  87.96105       2.465150  90.45585       2.932619  -1.314743      2.026254  
1 1 1 6  18 9  f 133.1938 1.260427  177.4203       3.247660  177.0951       4.099998  177.9680       5.320763  -0.3036346     2.520854  
1 1 1 6  18 10 o 94.02067 1.201247  88.84183       2.245214  84.58556       3.315926  92.44518       3.051014  -4.186142      2.402493  
1 1 1 6  18 11 o 13.14096 2.432619  1.944807       0.6596645 2.363141       0.7735111 0.8291007      1.263223  4.428550       4.865238  
1 1 1 6  18 12 o 43.89597 1.128164  19.53852       0.8771708 19.83578       1.029212  18.74941       1.676885  1.258148       2.256328  
1 1 1 6  18 13 o 81.69918 0.9087637 67.06049       1.465579  68.49408       1.934857  65.13087       2.244789  2.068069       1.817527  
1 1 1 6  18 14 o 123.2204 1.298819  151.1833       3.119449  147.6736       3.966210  156.8757       5.051064  -3.655380      2.597637  
1 1 1 6  18 15 o 22.33127 1.710339  5.117130       0.7383310 5.441088       0.9490350 4.620414       1.175147  1.870628       3.420677  
1 1 1 6  18 16 o 47.35694 1.016490  22.47707       0.9613749 24.22180       1.381621  20.83937       1.338579  3.566402       2.032981  
1 1 1 6  18 17 o 46.08062 1.207957  21.63569       1.099687  19.32568       1.629808  23.56631       1.489969  -4.632019      2.415914  
1 1 1 6  18 18 o 35.69336 1.220260  12.83094       0.8605903 13.02107       1.328116  12.69333       1.129890  0.4067497      2.440520  
1 1 1 6  18 19 o 30.12604 1.193292  9.190904       0.7146124 9.288892       0.9621961 9.070371       1.067164  0.3981075      2.386583  
1 1 1 6  18 20 o 7.803565 2.348305  0.6403358E-01  0.6556026 0.3737043      0.8762752 -0.3297057     0.9880862 1.007340       4.696610  
1 1 1 6  18 21 o 12.97573 2.585000  2.003425       0.7145865 2.363003       0.9420068 1.516057       1.096696  2.796481       5.170000  
1 1 1 6  18 22 o 8.383348 2.589074  0.5783366E-01  0.7872712 -0.2937031     0.9750753 0.7161328      1.334334  -2.720891      5.178148  
1 1 1 6  18 23 o 21.92228 1.771158  5.391500       0.7676625 5.623995       1.030204  5.101233       1.151107  1.470249       3.542316  
1 1 1 6  19 0  o 75.08104 1.745160  56.46813       2.617423  56.46813       2.617423  56.46813       2.617423  0.000000       0.000000  
1 1 1 6  19 1  o 216.6815 2.028229  468.8970       8.675550  464.5519       11.36347  474.9686       13.43265  -2.385544      4.056457  
1 1 1 6  19 2  o 275.7282 2.361885  760.7971       13.02476  760.1696       18.40709  761.4264       18.43252  -0.2276306     4.723770  
1 1 1 6  19 3  o 213.0660 1.990484  454.9173       8.415803  448.4539       12.67399  460.0150       11.25538  -2.726578      3.980968  
1 1 1 6  19 4  o 114.0430 1.160521  130.5100       2.629671  134.1623       3.551164  126.0756       3.912933  3.547974       2.321041  
1 1 1 6  19 5  o 84.18661 1.027171  70.68913       1.726663  67.43149       2.360862  74.43570       2.531833  -4.158562      2.054343  
1 1 1 6  19 6  o 180.6257 1.718104  324.0157       6.083745  314.4506       7.808083  338.7948       9.705649  -6.708771      3.436208  
1 1 1 6  19 7  o 59.47178 1.040002  34.27012       1.123538  32.82903       1.321427  38.02999       2.134441  -4.362885      2.080004  
1 1 1 6  19 8  o 98.53363 1.044901  97.29541       2.045552  95.65846       3.060770  98.61668       2.749840  -1.505798      2.089801  
1 1 1 6  19 9  o 59.71106 0.9221140 35.43549       1.084815  34.37163       1.407684  36.99124       1.702277  -2.188751      1.844228  
1 1 1 6  19 10 o 135.0983 1.345768  182.2131       3.586977  179.6214       4.686110  185.8802       5.574195  -2.288132      2.691536  
1 1 1 6  19 11 o 109.4747 1.314017  120.3523       2.709456  121.0622       3.319896  118.9364       4.688674  1.016312       2.628034  
1 1 1 6  19 12 o 18.13096 2.107423  3.477988       0.7119595 3.870887       0.9166508 2.880575       1.130319  3.039207       4.214846  
1 1 1 6  19 13 o 108.6676 1.280517  116.2449       2.443350  114.0871       2.829151  122.5778       4.846758  -3.811844      2.561034  
1 1 1 6  19 14 o 126.9430 1.485332  159.4303       3.481133  155.7780       4.162055  167.9345       6.351003  -4.581116      2.970664  
1 1 1 6  19 15 o 32.27779 1.291286  10.54659       0.8124856 10.84867       1.047019  10.08935       1.288158  1.205866       2.582573  
1 1 1 6  19 16 o 76.83017 1.279685  57.86123       1.674015  56.54391       1.907545  62.27480       3.491621  -3.483269      2.559370  
1 1 1 6  19 17 o 41.19183 1.052278  17.13647       0.8632811 18.35345       1.198646  15.82488       1.244365  3.078144       2.104556  
1 1 1 6  19 18 o 104.3696 1.222779  109.9454       2.550638  108.8410       3.534177  111.1460       3.684830  -1.061836      2.445557  
1 1 1 6  19 19 o 19.67405 1.939524  3.701333       0.7321479 2.988811       0.8945301 5.147292       1.274306  -5.264385      3.879047  
1 1 1 6  19 20 o 37.54379 1.165326  14.14989       0.8703264 16.15483       1.308838  12.56063       1.165286  4.723030       2.330652  
1 1 1 6  19 21 o 17.77670 2.332150  3.618093       0.7948040 2.640131       1.148132  4.518017       1.101371  -5.596347      4.664299  
1 1 1 6  19 22 o 27.30265 1.518767  7.888271       0.8279788 7.606513       1.132502  8.211815       1.213575  -0.9941368     3.037534  
1 1 1 6  19 23 o 10.57739 2.704476  1.281455       0.8026379 2.227226       1.144040  0.3646754      1.126369  4.502137       5.408953  
1 1 1 6  20 0  o 24.08991 2.019085  6.046310       0.9493116 6.042854       1.364029  6.049557       1.322015  0.000000       0.000000  
1 1 1 6  20 1  o 288.8619 3.026323  838.7255       16.57744  825.1058       28.26227  845.8689       20.46830  -3.706390      6.052647  
1 1 1 6  20 2  o 278.6309 3.081747  778.5945       16.86647  771.2624       26.40800  783.6462       21.91971  -2.294281      6.163494  
1 1 1 6  20 3  o 111.5074 1.312075  121.6857       2.686804  131.1345       4.976522  117.7984       3.191996  5.965508       2.624151  
1 1 1 6  20 4  o 223.8466 1.934995  501.3593       8.661272  507.5310       12.39249  495.4656       12.11017  2.690826       3.869989  
1 1 1 6  20 5  o 194.1221 2.185478  379.1350       8.383546  390.2423       11.12603  364.5443       12.75182  6.650375       4.370955  
1 1 1 6  20 6  o 61.47309 1.057029  37.64264       1.275205  38.61591       2.019379  36.99711       1.644600  1.312458       2.114057  
1 1 1 6  20 7  o 82.68812 0.9588758 68.56544       1.574426  66.91466       2.356921  69.89564       2.115708  -1.805634      1.917752  
1 1 1 6  20 8  o 15.21136 2.078983  2.362358       0.6192388 2.071327       0.8641751 2.669499       0.8877733 -2.227959      4.157966  
1 1 1 6  20 9  o 194.8869 1.841007  380.2319       7.089154  378.6839       9.320250  382.3570       10.91984  -0.8851624     3.682014  
1 1 1 6  20 10 o 151.3287 2.101720  231.1880       4.822597  231.9780       5.311698  227.4808       11.50583  1.793533       4.203440  
1 1 1 6  20 11 o 28.03626 1.552841  8.232344       0.8276508 9.419115       1.070410  6.468026       1.305133  5.272585       3.105682  
1 1 1 6  20 12 o 54.88592 0.9697060 30.40672       1.046335  31.68638       1.376324  28.65428       1.610628  2.769714       1.939412  
1 1 1 6  20 13 o 73.36002 0.9417803 54.05371       1.329667  54.54051       1.671207  53.21395       2.194969  0.9252396      1.883561  
1 1 1 6  20 14 o 85.26420 1.000253  72.91253       1.702530  74.25687       2.349975  71.42736       2.469987  1.667160       2.000506  
1 1 1 6  20 15 o 98.19334 1.330521  97.08028       2.608406  92.85995       3.744481  101.0588       3.635613  -4.189758      2.661041  
1 1 1 6  20 16 o 32.62123 1.340400  10.74655       0.8428303 10.84269       1.061837  10.58283       1.385669  0.4547310      2.680800  
1 1 1 6  20 17 o 35.16002 1.198253  12.46421       0.8424520 12.26820       1.177444  12.66980       1.205879  -0.5639114     2.396506  
1 1 1 6  20 18 o 12.45883 2.499671  1.681862       0.6622366 1.994207       0.8950947 1.304126       0.9843421 2.269017       4.999342  
1 1 1 6  20 19 o 45.88981 0.9654688 21.31927       0.8799214 21.77999       1.184329  20.75157       1.314642  1.166695       1.930938  
1 1 1 6  20 20 o 19.96978 2.020279  4.062139       0.7748669 3.725494       0.9544051 4.713178       1.327241  -2.122021      4.040558  
1 1 1 6  20 21 o 18.47628 2.474099  3.744539       0.8199767 3.522859       0.9727628 4.288702       1.524081  -0.7315712     4.948199  
1 1 1 6  20 22 o 10.26171 2.681093  1.106124       0.7727412 0.4094692      1.108334  1.765094       1.077942  -3.307528      5.362186  
1 1 1 6  21 0  o 181.9504 2.765974  331.0442       9.472465  333.8068       16.45952  329.6760       11.58284  0.000000       0.000000  
1 1 1 6  21 1  o 368.0164 3.625747  1357.566       26.68646  1360.405       37.83447  1354.756       37.64692  0.7631226      7.251494  
1 1 1 6  21 2  o 148.5461 1.627815  221.9744       4.594904  224.6842       5.691404  216.9019       7.786851  2.643204       3.255630  
1 1 1 6  21 3  o 285.3655 2.640541  816.3170       14.93639  821.0300       19.87455  810.2004       22.64135  1.955231       5.281082  
1 1 1 6  21 4  o 227.5632 1.967625  518.3381       8.955049  516.2083       12.62302  520.4961       12.70609  -0.9406738     3.935249  
1 1 1 6  21 5  o 210.2339 1.972241  443.1640       8.228946  436.8028       12.38417  448.1932       11.01138  -2.736588      3.944482  
1 1 1 6  21 6  o 53.89430 0.8409765 29.01421       0.9058669 30.32656       1.308743  27.80721       1.255118  2.336742       1.681953  
1 1 1 6  21 7  f 92.09673 0.9426890 84.85844       1.736153  85.58735       2.442783  84.11441       2.467995  0.8000183      1.885378  
1 1 1 6  21 8  o 95.66138 1.058251  90.27465       1.964975  86.48795       2.471405  96.78237       3.239867  -5.366241      2.116502  
1 1 1 6  21 9  o 76.90809 1.043898  59.56909       1.538326  60.54570       1.926216  57.84935       2.556091  1.767731       2.087795  
1 1 1 6  21 10 o 22.36124 1.901589  4.638464       0.8094357 3.875184       0.9780323 6.297904       1.442089  -5.394848      3.803178  
1 1 1 6  21 11 o 118.8212 1.384344  141.4796       3.109337  141.6155       3.818996  141.2122       5.355226  0.2324753      2.768688  
1 1 1 6  21 12 o 60.19722 0.9479338 36.86053       1.092574  38.46550       1.377361  34.13680       1.794305  3.608978       1.895868  
1 1 1 6  21 13 o 44.99907 1.256314  19.73242       1.060516  18.74656       1.278212  21.91023       1.899790  -3.474197      2.512627  
1 1 1 6  21 14 o 34.91238 1.141256  12.28140       0.7405576 12.38137       0.8970242 12.06742       1.312353  0.4860878      2.282512  
1 1 1 6  21 15 o 100.0042 1.054377  100.3657       2.107626  101.1485       2.937787  99.53548       3.025411  0.8162537      2.108754  
1 1 1 6  21 16 o 43.84787 1.185201  19.31718       1.038207  20.64901       1.497570  18.08478       1.440582  2.913456       2.370402  
1 1 1 6  21 17 f 35.54716 1.220906  12.73981       0.8676574 13.20914       1.245584  12.29741       1.209325  1.273018       2.441811  
1 1 1 6  21 18 o 52.46277 1.091046  27.80802       1.106083  27.87056       1.396178  27.70261       1.812560  0.2879982      2.182092  
1 1 1 6  21 19 o 14.19717 2.332164  2.293984       0.7085284 3.369117       0.9523697 0.9613017      1.060322  7.675887       4.664328  
1 1 1 6  21 20 o 19.53052 1.889521  4.023026       0.7362763 3.800210       0.9995579 4.287327       1.088640  -1.148491      3.779042  
1 1 1 6  21 21 o 14.56278 2.374435  2.341861       0.7425582 1.070454       0.9922957 3.959937       1.119433  -8.896238      4.748870  
1 1 1 6  21 22 o 33.44262 1.323152  11.83910       0.8752777 13.09948       1.202581  10.41930       1.276371  4.101980       2.646303  
1 1 1 6  22 0  o 375.3571 5.566445  1419.626       39.54368  1428.149       48.75702  1403.244       67.59643  0.000000       0.000000  
1 1 1 6  22 1  o 120.3709 1.222925  144.8997       2.910580  144.6672       3.836120  145.2150       4.468158  -0.2213211     2.445850  
1 1 1 6  22 2  o 66.24571 0.9150469 43.64705       1.197846  42.37137       1.566532  45.44297       1.858715  -2.316078      1.830094  
1 1 1 6  22 3  o 158.1037 1.410127  249.9657       4.457228  245.6232       6.200520  254.6091       6.411729  -2.839066      2.820254  
1 1 1 6  22 4  f 125.0105 1.164978  156.2745       2.911920  158.9947       4.177093  153.7029       4.061493  2.115173       2.329956  
1 1 1 6  22 5  o 97.35353 1.055615  94.96635       2.040585  93.49603       3.063051  96.13960       2.736178  -1.361885      2.111229  
1 1 1 6  22 6  o 215.4243 1.871084  464.7105       8.061200  463.0036       11.34026  466.4541       11.46122  -0.7976379     3.742168  
1 1 1 6  22 7  o 158.5390 1.526398  251.7301       4.790180  252.4311       6.341280  250.7986       7.310259  0.5387115      3.052797  
1 1 1 6  22 8  o 241.8145 2.576915  583.5371       11.63403  577.6053       14.08355  596.2817       20.64365  -3.534409      5.153831  
1 1 1 6  22 9  o 105.2268 1.107649  110.6800       2.305191  109.8687       3.036448  111.7837       3.541608  -0.8958130     2.215299  
1 1 1 6  22 10 o 100.4273 1.005014  100.9327       2.018613  101.1875       2.856144  100.6785       2.853358  0.2533264      2.010028  
1 1 1 6  22 11 o 67.51297 1.060725  45.76577       1.298656  45.95766       1.542012  45.29765       2.408524  0.5179214      2.121451  
1 1 1 6  22 12 o 65.23596 1.011712  42.73142       1.309566  43.68855       1.756521  41.53365       1.964975  1.659653       2.023425  
1 1 1 6  22 13 o 95.11034 1.080998  91.06451       2.041096  94.56099       2.756886  86.82305       3.036409  4.087166       2.161995  
1 1 1 6  22 14 o 56.87941 1.097842  32.74151       1.126612  33.12827       1.335944  31.78926       2.096289  1.252918       2.195684  
1 1 1 6  22 15 o 34.00525 1.210573  11.68740       0.8161247 12.23307       1.100230  11.01983       1.216922  1.800087       2.421145  
1 1 1 6  22 16 o 59.11584 1.033015  35.07823       1.217385  35.88587       1.804256  34.40326       1.649428  1.224621       2.066031  
1 1 1 6  22 17 o 61.35735 1.009915  37.84657       1.237132  38.44038       1.809957  37.32589       1.694849  0.8831863      2.019831  
1 1 1 6  22 18 o 44.50058 1.043757  20.13468       0.9204209 21.51343       1.249040  18.49629       1.361572  3.423359       2.087514  
1 1 1 6  22 19 o 59.15495 1.061352  35.42397       1.253611  35.43246       1.724436  35.41446       1.825637  0.5666733E-01  2.122705  
1 1 1 6  22 20 o 20.80944 1.965030  4.519398       0.7585649 4.335962       0.9096767 4.938106       1.374362  -0.8745098     3.930060  
1 1 1 6  22 21 o 16.84954 2.293886  3.251001       0.7443218 3.116944       1.020432  3.403422       1.088082  -0.7103977     4.587771  
1 1 1 6  22 22 o 10.87887 2.879463  1.317938       0.9019228 2.150617       1.266982  0.4624529      1.284216  3.736074       5.758926  
1 1 1 6  23 0  o 128.2205 1.681667  164.5936       4.308282  166.5571       6.168489  162.7237       6.019889  0.000000       0.000000  
1 1 1 6  23 1  o 133.4546 1.230012  177.9881       3.280547  173.6719       4.534004  182.7303       4.752492  -3.391312      2.460023  
1 1 1 6  23 2  o 126.2614 1.174055  159.3821       2.963460  162.6692       4.268437  156.3233       4.117564  2.511292       2.348110  
1 1 1 6  23 3  o 144.4133 1.417801  206.9284       4.012398  200.3087       5.143193  217.2222       6.413596  -5.836639      2.835601  
1 1 1 6  23 4  o 121.1577 1.227164  147.3261       2.954552  151.3205       3.990969  142.4822       4.394916  3.653473       2.454328  
1 1 1 6  23 5  o 140.9366 1.476714  198.7832       4.162209  200.4907       5.926475  197.1212       5.846837  1.193741       2.953429  
1 1 1 6  23 6  o 219.0215 1.901985  480.4517       8.331343  479.1242       11.73857  481.7991       11.82651  -0.6080780     3.803970  
1 1 1 6  23 7  o 178.5104 1.708133  318.8850       6.020809  317.5072       7.901091  320.7932       9.297820  -0.8762360     3.416266  
1 1 1 6  23 8  o 89.35930 1.011402  80.20378       1.797928  83.32654       2.449330  76.55521       2.647528  3.793518       2.022804  
1 1 1 6  23 9  o 102.7724 1.097320  105.4923       2.230498  107.1708       3.431105  104.2638       2.935390  1.400620       2.194639  
1 1 1 6  23 10 o 48.75993 0.9361458 23.80248       0.9085601 23.68895       1.350999  23.89622       1.227638  -0.2159004     1.872292  
1 1 1 6  23 11 o 71.13915 1.023201  50.46923       1.441262  49.36707       1.898782  51.96744       2.213794  -1.816696      2.046401  
1 1 1 6  23 12 o 41.92913 1.072941  17.02439       0.8586891 15.78662       1.049823  19.52633       1.492573  -4.438019      2.145882  
1 1 1 6  23 13 o 43.30682 1.219857  17.76122       0.9264840 16.73264       1.063275  21.00500       1.888227  -4.867058      2.439714  
1 1 1 6  23 14 o 63.48082 0.9425699 39.72640       1.149849  38.07680       1.425727  42.79591       1.944829  -3.667389      1.885140  
1 1 1 6  23 15 o 21.18846 2.660285  5.072354       1.011667  3.599823       1.696575  5.884849       1.260234  -5.839663      5.320569  
1 1 1 6  23 16 o 16.04970 2.374668  2.750861       0.7458929 3.082360       1.002870  2.340457       1.115857  2.623361       4.749336  
1 1 1 6  23 17 o 29.71669 1.545914  9.148335       0.8630961 9.533144       1.066564  8.418230       1.469120  2.016294       3.091829  
1 1 1 6  23 18 o 12.30945 2.492935  1.630309       0.6823463 2.273531       0.9370048 0.9040833      0.9956281 4.353343       4.985870  
1 1 1 6  23 19 o 14.12838 2.365633  2.291795       0.7365477 3.447229       0.9815891 0.8029489      1.114248  8.158759       4.731266  
1 1 1 6  23 20 o 16.00442 2.433412  2.722613       0.7367412 2.069020       0.9126059 3.945670       1.248397  -5.184451      4.866825  
1 1 1 6  23 21 f 22.49286 1.753713  5.428498       0.7836887 4.640268       1.067271  6.350781       1.154463  -3.662035      3.507426  
1 1 1 6  23 22 o 16.99736 2.375908  3.606574       0.7847282 4.598588       1.095374  2.560626       1.124756  6.238542       4.751816  
1 1 1 6  24 0  o 268.6685 3.276214  723.2067       17.58389  709.8802       24.40807  737.5858       25.35362  0.000000       0.000000  
1 1 1 6  24 1  o 112.3649 1.083037  126.3064       2.433880  126.9501       3.441309  125.6622       3.442743  0.5731277      2.166074  
1 1 1 6  24 2  o 79.93399 0.9148504 63.90978       1.462057  63.81936       2.040574  64.00517       2.095857  -0.1156311     1.829701  
1 1 1 6  24 3  f 147.6413 1.442078  218.7886       4.234685  211.4087       6.268249  224.9848       5.743586  -4.607361      2.884157  
1 1 1 6  24 4  o 69.35782 0.8671330 48.07839       1.202104  47.01349       1.664841  49.23835       1.737551  -1.603004      1.734266  
1 1 1 6  24 5  o 103.9677 1.108608  108.1893       2.283138  107.8653       3.474984  108.4353       3.028548  -0.2816544     2.217216  
1 1 1 6  24 6  o 97.18738 1.079076  94.54759       2.068490  94.74005       2.710965  94.27941       3.200073  0.2463989      2.158153  
1 1 1 6  24 7  o 137.1455 1.353266  188.1198       3.668201  187.1613       4.825374  189.4319       5.645985  -0.8043976     2.706532  
1 1 1 6  24 8  o 107.4901 1.049238  115.6277       2.255193  115.4271       3.156280  115.8370       3.223429  -0.1889267     2.098476  
1 1 1 6  24 9  o 72.46176 0.9406825 52.19316       1.347896  54.79059       2.089139  50.34086       1.764215  3.062256       1.881365  
1 1 1 6  24 10 o 59.43323 1.027552  35.38705       1.219540  33.05083       1.721479  37.74079       1.727919  -3.945354      2.055104  
1 1 1 6  24 11 o 99.42686 1.072868  98.45023       2.054317  97.06564       2.569571  100.9028       3.419900  -1.896553      2.145737  
1 1 1 6  24 12 o 89.29516 1.017370  80.47979       1.767385  82.62724       2.268241  77.16114       2.819736  3.092850       2.034740  
1 1 1 6  24 13 o 32.02676 1.286879  10.76551       0.7689799 11.82508       0.9602768 8.871442       1.283890  4.644037       2.573758  
1 1 1 6  24 14 o 39.16009 1.067259  14.86462       0.7744821 14.06513       0.9227459 16.77035       1.424643  -3.397923      2.134517  
1 1 1 6  24 15 o 34.30914 1.113330  11.87442       0.7202030 11.96257       0.8839256 11.70032       1.242215  0.4393005      2.226659  
1 1 1 6  24 16 o 59.69045 1.054011  35.76772       1.256017  37.57130       1.845365  34.21103       1.714407  2.784931       2.108023  
1 1 1 6  24 17 o 52.72164 1.012050  28.03424       1.063952  28.38570       1.454909  27.63023       1.559882  0.7442856      2.024100  
1 1 1 6  24 18 o 35.19976 1.235110  12.58295       0.8616493 12.55170       1.144021  12.62393       1.309858  -0.2708054E-01 2.470219  
1 1 1 6  24 19 o 27.30172 1.655600  7.664339       0.8591828 7.572452       1.059882  7.840450       1.467322  -0.2001324     3.311200  
1 1 1 6  24 20 o 16.50448 2.389223  3.159652       0.7678670 3.763048       1.036308  2.425060       1.143433  4.424576       4.778445  
1 1 1 6  24 21 o 9.352568 2.641112  0.5901002      0.7904887 1.460315       1.162897  -0.1573988     1.077788  3.568980       5.282223  
1 1 1 6  24 22 o 8.191352 2.565725  0.2109604      0.8355815 -0.3931174E-01 1.246853  0.4149886      1.125781  -0.4463234     5.131450  
1 1 1 6  25 0  o 39.66112 1.439752  15.85857       1.135067  15.81433       1.578956  15.90588       1.632856  0.000000       0.000000  
1 1 1 6  25 1  o 85.85661 0.9332091 73.73655       1.602416  74.35306       2.270759  73.12502       2.261585  0.7150574      1.866418  
1 1 1 6  25 2  o 62.77516 0.8698813 39.42314       1.091937  39.66745       1.532355  39.17112       1.556389  0.3956032      1.739763  
1 1 1 6  25 3  o 20.29312 1.747191  4.072548       0.7043515 4.775692       1.061119  3.518716       0.9417394 3.094027       3.494382  
1 1 1 6  25 4  o 122.5990 1.153213  150.3789       2.827304  149.5717       3.962990  151.2156       4.034801  -0.6691513     2.306425  
1 1 1 6  25 5  o 227.6337 2.133126  520.5297       9.646662  508.6373       14.41218  530.1821       12.98417  -4.786316      4.266252  
1 1 1 6  25 6  o 153.4412 1.492361  234.8328       4.512071  230.5987       5.871224  240.9410       7.051847  -3.334671      2.984722  
1 1 1 6  25 7  f 32.30820 1.122276  10.41513       0.7240438 9.762052       0.9930598 11.15630       1.057920  -2.155895      2.244552  
1 1 1 6  25 8  o 163.1396 1.456354  266.5306       4.751390  264.9478       6.669185  268.1620       6.770930  -0.9813538     2.912709  
1 1 1 6  25 9  o 77.29945 0.9961051 59.93882       1.525012  58.78438       2.312301  60.82752       2.028789  -1.329903      1.992210  
1 1 1 6  25 10 o 128.1371 1.198553  164.4167       3.071459  164.3055       4.323654  164.5301       4.364024  -0.8596802E-01 2.397105  
1 1 1 6  25 11 o 85.52662 0.9347846 73.16932       1.597887  71.79453       2.211571  74.67080       2.311229  -1.677505      1.869569  
1 1 1 6  25 12 o 46.27288 1.070073  21.69568       0.9369044 22.22019       1.159018  20.70670       1.591513  1.665054       2.140146  
1 1 1 6  25 13 o 47.68432 1.006921  22.43892       0.9205443 21.58346       1.138783  24.05191       1.563712  -2.547451      2.013843  
1 1 1 6  25 14 o 15.22631 2.483732  2.714018       0.6733025 3.037499       0.7695471 1.657997       1.390422  4.263535       4.967463  
1 1 1 6  25 15 o 24.99632 1.461398  5.827051       0.6684608 5.190074       0.7817492 7.559495       1.289245  -4.603312      2.922796  
1 1 1 6  25 16 o 45.16736 1.042008  20.46203       0.9387274 19.62354       1.272191  21.46424       1.390853  -2.011475      2.084016  
1 1 1 6  25 17 o 71.33775 1.024057  50.67491       1.434801  48.08127       1.841605  54.68091       2.288739  -4.493675      2.048114  
1 1 1 6  25 18 o 25.09591 1.754475  6.501581       0.8795505 6.199047       1.251020  6.797297       1.236845  -1.200853      3.508951  
1 1 1 6  25 19 o 9.828563 2.827196  0.6514975      0.8807449 0.3353166      1.271613  0.9430326      1.221048  -1.115440      5.654391  
1 1 1 6  25 20 o 16.91202 2.540498  3.370910       0.8433461 3.773769       1.134528  2.873399       1.260781  3.158746       5.080997  
1 1 1 6  25 21 f 33.19819 1.647727  11.15221       1.060489  15.56455       1.767834  8.671824       1.325463  9.651623       3.295455  
1 1 1 6  26 0  o 270.8581 3.306146  735.9618       17.89796  736.7959       25.34507  735.1321       25.27813  0.000000       0.000000  
1 1 1 6  26 1  o 70.09695 0.8989611 49.08578       1.259257  47.55108       1.738326  50.78045       1.826674  -2.302330      1.797922  
1 1 1 6  26 2  o 157.5017 1.416049  248.2070       4.459589  244.9181       6.226944  251.6702       6.389832  -2.139969      2.832097  
1 1 1 6  26 3  o 119.3652 1.230869  142.8546       2.914566  140.3564       4.391448  144.8213       3.896444  -1.880188      2.461739  
1 1 1 6  26 4  o 154.0555 1.653060  240.9899       5.021241  274.9747       6.914163  203.0638       7.304084  23.35083       3.306120  
1 1 1 6  26 5  o 196.8936 1.995788  388.0527       7.851797  377.7027       10.82382  399.5489       11.40738  -5.524307      3.991575  
1 1 1 6  26 6  o 67.97217 0.8866631 46.20389       1.205057  47.51001       1.726321  44.96261       1.682925  1.872902       1.773326  
1 1 1 6  26 7  f 49.09984 1.113647  23.63378       1.030805  25.59585       1.819378  22.70619       1.250956  2.926838       2.227293  
1 1 1 6  26 8  o 32.77849 1.151836  10.54277       0.7443373 12.00237       1.179570  9.577013       0.9594906 3.692596       2.303673  
1 1 1 6  26 9  o 88.93407 0.9582579 79.12315       1.703782  77.91696       2.370461  80.41224       2.450558  -1.400375      1.916516  
1 1 1 6  26 10 o 41.56264 0.9920908 17.28186       0.8243582 16.93800       1.146467  17.64996       1.186184  -0.8550415     1.984182  
1 1 1 6  26 11 o 37.50982 1.058948  14.06950       0.7921286 15.63313       1.145276  12.63551       1.096775  3.992950       2.117895  
1 1 1 6  26 12 o 99.14493 1.106137  98.07027       2.144834  96.32089       2.747041  100.8021       3.432797  -2.204147      2.212274  
1 1 1 6  26 13 o 21.01637 1.850039  4.524772       0.7521505 4.735544       0.9629195 4.194908       1.204621  1.332254       3.700078  
1 1 1 6  26 14 o 82.41113 1.076982  68.18905       1.773385  72.37199       2.532419  64.16400       2.484166  4.973122       2.153965  
1 1 1 6  26 15 o 33.36795 1.350865  10.42581       0.8035262 9.546776       0.9267322 13.08817       1.612809  -5.129263      2.701729  
1 1 1 6  26 16 o 30.13256 1.465308  9.183142       0.8810584 10.09843       1.277554  8.353000       1.216683  2.875959       2.930617  
1 1 1 6  26 17 f 33.55222 1.353620  11.57607       0.8900406 12.34311       1.173011  10.53523       1.366426  2.767471       2.707241  
1 1 1 6  26 18 o 15.84493 2.729122  3.039878       0.8933738 3.780799       1.103232  1.628574       1.522619  6.298381       5.458243  
1 1 1 6  26 19 o 10.86232 2.862801  0.9645303      0.8489723 0.3077464      1.080295  2.025246       1.372874  -4.475842      5.725601  
1 1 1 6  26 20 o 14.66459 2.624836  2.565747       0.7673621 2.444203       1.028739  2.718199       1.152143  -0.6501350     5.249671  
1 1 1 6  26 21 o 8.772561 2.565895  0.3494177      0.7871638 -0.5009967     1.098848  1.245819       1.128167  -3.374435      5.131790  
1 1 1 6  27 0  o 169.6524 2.140899  288.2977       7.257004  292.9938       10.41272  283.8624       10.11947  0.000000       0.000000  
1 1 1 6  27 1  o 124.1855 1.171915  154.1525       2.908158  150.4608       4.012979  158.2357       4.220368  -3.126175      2.343829  
1 1 1 6  27 2  o 51.34217 0.9851015 25.96768       0.9903489 24.51092       1.261896  28.30384       1.598016  -3.687813      1.970203  
1 1 1 6  27 3  o 59.04652 1.108978  35.26049       1.226310  35.97838       1.500068  33.81404       2.129290  1.845722       2.217955  
1 1 1 6  27 4  o 90.67128 0.9603906 82.25174       1.741529  83.21802       2.474099  81.30276       2.451840  1.055702       1.920781  
1 1 1 6  27 5  o 90.35638 1.038299  81.73366       1.861561  81.46921       2.812452  81.93987       2.483430  -0.2688904     2.076598  
1 1 1 6  27 6  o 131.0531 1.737333  0.000000       0.000000  ?              ?         171.9330       4.553656  ?              ?         
1 1 1 6  27 7  o 136.1574 1.256893  185.5986       3.422455  184.7369       4.806623  186.4847       4.874249  -0.6395264     2.513785  
1 1 1 6  27 8  f 30.37933 1.299517  9.271195       0.7834281 10.73569       1.118612  7.861319       1.097557  4.729946       2.599034  
1 1 1 6  27 9  o 50.41157 0.9869339 25.37428       0.9904683 24.81238       1.331584  26.07022       1.481912  -1.242462      1.973868  
1 1 1 6  27 10 o 39.22518 1.051380  15.43210       0.8233280 16.35578       1.157714  14.48689       1.171125  2.382877       2.102760  
1 1 1 6  27 11 o 24.52624 1.397067  6.015514       0.6837922 5.724067       0.9300861 6.358349       1.008753  -1.285898      2.794133  
1 1 1 6  27 12 f 31.87702 1.236025  10.26550       0.7337370 10.37827       0.8909674 10.02783       1.293441  0.5952091      2.472051  
1 1 1 6  27 13 o 27.59268 1.586843  7.463705       0.7934038 7.194299       0.9330518 8.167111       1.507666  -1.665459      3.173687  
1 1 1 6  27 14 o 36.60898 1.324279  13.37036       0.8462463 13.22658       0.9789340 13.79552       1.683379  -0.6313133     2.648559  
1 1 1 6  27 15 o 23.23873 1.803535  5.289193       0.7378127 5.060746       0.8516624 5.976406       1.477138  -1.731461      3.607069  
1 1 1 6  27 16 o 28.35559 1.472645  8.028380       0.8277548 7.081326       1.087357  9.333572       1.276505  -3.899067      2.945291  
1 1 1 6  27 17 o 20.83420 2.079486  4.505044       0.8643667 4.230848       1.173475  4.830262       1.278001  -1.362837      4.158973  
1 1 1 6  27 18 o 38.84044 1.258634  15.20917       0.9731731 13.87385       1.302923  16.89414       1.463596  -3.810013      2.517268  
1 1 1 6  27 19 o 36.39211 1.295342  13.73480       0.9364901 14.49174       1.277572  12.85575       1.376779  2.333111       2.590684  
1 1 1 6  27 20 o 13.82785 2.688890  2.366225       0.7681965 2.503467       1.037951  2.199997       1.142321  1.117719       5.377780  
1 1 1 6  27 21 o 20.31324 2.139208  4.789748       0.8663557 5.311029       1.279463  4.348371       1.177324  2.086548       4.278416  
1 1 1 6  28 0  o 69.17587 1.559786  47.39334       2.025893  46.19807       2.462301  49.89793       3.564309  0.000000       0.000000  
1 1 1 6  28 1  o 149.0528 1.567886  222.4731       4.673948  223.0367       6.611490  221.9099       6.608432  0.3778534      3.135772  
1 1 1 6  28 2  o 132.6998 1.434577  176.3044       3.807329  177.3100       5.389573  175.3026       5.379194  0.7560577      2.869154  
1 1 1 6  28 3  o 237.1659 2.231988  563.9096       10.46481  566.8775       16.08518  561.7314       13.77980  0.9667969      4.463976  
1 1 1 6  28 4  o 142.4991 1.305239  203.2910       3.719682  201.9741       5.225922  204.6432       5.295618  -0.9342651     2.610478  
1 1 1 6  28 5  o 120.1419 1.809541  142.3739       3.445760  148.4762       7.878786  140.9307       3.831632  2.965202       3.619083  
1 1 1 6  28 6  o 139.5881 1.288257  194.9557       3.594574  191.2183       4.985882  199.0008       5.187078  -2.780823      2.576514  
1 1 1 6  28 7  o 163.4402 1.468233  267.5753       4.798899  270.5569       6.845294  264.6938       6.729523  1.788544       2.936466  
1 1 1 6  28 8  o 71.97273 0.9779367 51.67370       1.391201  50.74385       1.824935  52.96383       2.149606  -1.531578      1.955873  
1 1 1 6  28 9  o 115.7348 1.208978  133.8786       2.768497  136.0478       4.252375  132.2827       3.647379  1.598549       2.417955  
1 1 1 6  28 10 o 49.23047 1.022465  24.34604       1.000599  23.61089       1.487191  24.95406       1.352500  -1.372124      2.044931  
1 1 1 6  28 11 o 84.17930 1.055331  70.42961       1.722328  68.67482       2.169960  73.41727       2.831421  -2.765793      2.110662  
1 1 1 6  28 12 o 74.41829 0.9650493 55.06664       1.415552  52.93868       1.835821  58.18711       2.223099  -3.487755      1.930099  
1 1 1 6  28 13 o 22.42093 1.810096  4.614106       0.7135590 4.159011       0.8147445 6.112528       1.478384  -4.202494      3.620191  
1 1 1 6  28 14 o 55.93701 1.055788  31.46605       1.167432  31.44467       1.538263  31.49508       1.792811  0.3944397E-02  2.111576  
1 1 1 6  28 15 o 31.83441 1.383260  10.04326       0.8643614 9.239768       1.103598  11.31831       1.390222  -3.179470      2.766521  
1 1 1 6  28 16 o 27.14865 1.414830  7.505072       0.6982433 7.525860       0.8309604 7.455135       1.287926  0.3120766      2.829660  
1 1 1 6  28 17 o 29.67258 1.509207  8.920943       0.8882555 8.359305       1.169799  9.685715       1.365049  -2.128466      3.018414  
1 1 1 6  28 18 o 50.64046 1.393214  26.83580       1.269849  27.41463       1.510178  25.43878       2.346132  2.576859       2.786427  
1 1 1 6  28 19 o 10.39601 2.838669  1.054012       0.8388568 1.024313       1.175979  1.084780       1.196943  -0.1729231     5.677338  
1 1 1 6  28 20 o 8.533113 2.555468  0.2766384      0.7918458 0.9228902      1.094760  -0.4324197     1.146724  2.327797       5.110936  
1 1 1 6  29 0  o 35.80926 2.287871  13.44219       1.366944  12.61712       2.743991  13.71452       1.576481  0.000000       0.000000  
1 1 1 6  29 1  o 101.7168 1.121418  103.3655       2.255552  104.7935       3.471069  102.3218       2.967469  1.201088       2.242836  
1 1 1 6  29 2  o 106.8362 1.062460  114.1178       2.268437  111.4946       3.134664  117.0020       3.286853  -2.573410      2.124920  
1 1 1 6  29 3  o 144.3928 1.425676  209.3019       4.093693  203.6999       6.078675  213.9513       5.537769  -3.569199      2.851351  
1 1 1 6  29 4  o 63.16006 1.098621  39.48071       1.317600  41.33189       2.274252  38.54543       1.616538  2.187775       2.197243  
1 1 1 6  29 5  o 70.71295 0.9740153 49.80116       1.359408  51.47326       2.115526  48.62511       1.774189  2.005043       1.948031  
1 1 1 6  29 6  o 59.09888 0.9805773 35.01288       1.148388  35.39523       1.528723  34.51764       1.739808  0.7486229      1.961155  
1 1 1 6  29 7  o 31.04895 1.192234  9.651720       0.7385219 8.763865       1.031518  10.58546       1.057835  -2.932386      2.384467  
1 1 1 6  29 8  o 57.46782 1.011539  32.91370       1.148017  33.96359       1.782081  32.16893       1.500957  1.551163       2.023078  
1 1 1 6  29 9  o 83.72691 1.015617  70.26598       1.694521  69.41575       2.497196  70.99158       2.306925  -0.9504547     2.031235  
1 1 1 6  29 10 o 88.32188 0.9677954 78.03358       1.708269  81.04623       2.474786  75.29172       2.360946  3.250504       1.935591  
1 1 1 6  29 11 o 46.02136 0.9319657 21.22322       0.8575591 21.95427       1.222548  20.51508       1.203226  1.561913       1.863931  
1 1 1 6  29 12 o 45.70160 1.028811  20.95354       0.9403266 20.93195       1.335567  20.97476       1.324152  -0.4809570E-01 2.057621  
1 1 1 6  29 13 o 49.91637 1.048807  25.27058       1.028455  26.47612       1.353243  23.62217       1.582406  2.893475       2.097614  
1 1 1 6  29 14 o 10.84945 2.704853  1.029243       0.7838998 1.665134       1.038204  0.1859536      1.195583  3.419909       5.409706  
1 1 1 6  29 15 o 20.69394 1.837061  4.420944       0.6925977 4.485163       0.8284218 4.271832       1.262342  0.6979141      3.674122  
1 1 1 6  29 16 o 28.20131 1.790323  8.430747       0.8202318 8.645267       0.9297065 7.677379       1.742265  2.105139       3.580646  
1 1 1 6  29 17 o 19.33604 2.337458  4.007010       0.8828036 3.606672       1.214956  4.454787       1.284926  -2.413973      4.674916  
1 1 1 6  29 18 o 7.362085 2.400304  -0.6542823     0.8263143 -0.3809486     1.119625  -0.9812660     1.224586  0.4197135      4.800609  
1 1 1 6  29 19 o 10.05342 2.825604  0.9005370      0.8544952 1.107227       1.214386  0.6978462      1.202578  0.9113922      5.651208  
1 1 1 6  29 20 o 33.92273 1.586587  12.76937       1.015274  14.16286       1.293467  10.53296       1.638618  5.866631       3.173173  
1 1 1 6  30 0  o 115.3519 1.919132  133.7017       4.196681  132.6684       7.153695  134.2439       5.182085  0.000000       0.000000  
1 1 1 6  30 1  o 121.6744 1.487774  147.8700       3.535389  146.4069       4.524303  150.1644       5.665661  -1.501617      2.975548  
1 1 1 6  30 2  o 209.2162 2.120105  437.8013       8.850957  420.7076       12.03562  457.9334       13.06151  -8.841446      4.240209  
1 1 1 6  30 3  o 180.2396 1.850744  325.3041       6.666058  316.8783       9.203164  334.6035       9.668501  -4.894760      3.701488  
1 1 1 6  30 4  o 215.2430 2.179759  464.6746       9.378640  455.2177       13.01043  474.9046       13.53173  -4.541946      4.359517  
1 1 1 6  30 5  o 102.8864 1.133850  106.2524       2.318816  103.2685       3.449853  108.7114       3.131775  -2.656013      2.267699  
1 1 1 6  30 6  o 85.67934 0.9684585 73.32992       1.657232  70.88766       2.272041  76.10645       2.422552  -3.040726      1.936917  
1 1 1 6  30 7  o 55.89463 0.9360167 31.26122       1.046058  31.59282       1.500729  30.94786       1.458859  0.5755615      1.872033  
1 1 1 6  30 8  o 88.28372 0.9841474 78.01890       1.737485  79.01972       2.480271  77.05452       2.434712  1.111031       1.968295  
1 1 1 6  30 9  o 40.77522 1.111155  16.61585       0.9023565 17.16158       1.347901  16.17264       1.214715  1.203194       2.222310  
1 1 1 6  30 10 o 13.78802 2.604872  1.779584       0.7169254 1.236441       0.8787143 2.860965       1.239881  -5.333391      5.209745  
1 1 1 6  30 11 o 25.12776 1.484172  6.413159       0.7276697 6.640668       0.9412565 6.075205       1.147193  1.156693       2.968343  
1 1 1 6  30 12 o 16.91713 1.871978  2.901839       0.6128992 3.551030       0.9196468 2.383093       0.8220775 3.650581       3.743955  
1 1 1 6  30 13 o 24.25920 1.676595  5.794490       0.8002802 5.003732       1.025777  7.024397       1.279285  -4.086596      3.353190  
1 1 1 6  30 14 o 34.11134 1.210373  11.38818       0.7750297 10.77360       0.9342098 12.74498       1.388088  -2.774601      2.420747  
1 1 1 6  30 15 o 33.22955 1.462189  11.19207       0.8124050 11.16211       0.9235547 11.29454       1.708092  0.1076698      2.924378  
1 1 1 6  30 16 o 55.78622 1.025605  31.66710       1.079330  32.08818       1.327905  30.84732       1.852821  1.309391       2.051210  
1 1 1 6  30 17 f 12.95441 2.951186  1.694625       0.8801273 2.600223       1.385397  1.081802       1.139656  4.313773       5.902372  
1 1 1 6  30 18 o 27.72602 1.825117  7.988631       0.9985738 10.04784       1.536959  6.484455       1.313594  6.154091       3.650234  
1 1 1 6  30 19 o 13.89495 2.785019  2.438653       0.8243275 2.814629       1.108398  1.973319       1.233097  2.688417       5.570038  
1 1 1 6  30 20 o 14.58480 2.812777  2.847779       0.8628898 2.244634       1.263083  3.375621       1.181608  -3.514679      5.625554  
1 1 1 6  31 0  o 37.01524 1.890361  13.66452       1.274388  13.26340       1.519678  14.61502       2.339347  0.000000       0.000000  
1 1 1 6  31 1  o 41.43732 1.216306  17.13642       1.004249  19.34856       1.461713  15.15875       1.382076  5.052998       2.432612  
1 1 1 6  31 2  o 188.0321 1.666783  354.1611       6.265934  348.2762       8.721343  360.4398       9.008367  -3.221191      3.333565  
1 1 1 6  31 3  o 92.16653 1.000935  84.99728       1.844820  83.74969       2.584035  86.29420       2.634639  -1.378914      2.001870  
1 1 1 6  31 4  o 76.60564 0.9455271 58.73016       1.448622  58.84670       2.056387  58.61536       2.041021  0.1505280      1.891054  
1 1 1 6  31 5  f 36.06293 1.171321  13.03221       0.8420770 13.15147       1.148421  12.89352       1.238418  0.3611488      2.342641  
1 1 1 6  31 6  o 42.82823 1.013070  18.29288       0.8658237 20.06608       1.265490  16.73235       1.187178  3.889179       2.026139  
1 1 1 6  31 7  o 49.45696 1.011003  24.46756       0.9992383 23.96390       1.380842  25.02126       1.447808  -1.066109      2.022007  
1 1 1 6  31 8  o 97.94064 1.107451  95.96056       2.145084  95.05183       2.823830  97.20040       3.298362  -1.065475      2.214903  
1 1 1 6  31 9  o 47.30477 1.253309  22.75904       1.101603  23.32081       1.339927  21.58744       1.935044  1.882595       2.506618  
1 1 1 6  31 10 o 80.14331 0.9988243 64.39208       1.586933  64.29620       2.108568  64.51733       2.410050  -0.1085739     1.997649  
1 1 1 6  31 11 o 91.67929 0.9835175 84.26363       1.802902  86.09486       2.585566  82.53064       2.515264  1.936272       1.967035  
1 1 1 6  31 12 o 60.46192 1.074450  36.34949       1.222166  37.85759       2.146357  35.62591       1.486727  1.742195       2.148900  
1 1 1 6  31 13 o 21.48214 1.752122  4.383523       0.7103000 3.820540       0.8517156 5.669394       1.287197  -4.144518      3.504244  
1 1 1 6  31 14 o 22.12857 1.992274  4.450763       0.7466938 4.009640       0.8374807 6.160855       1.648938  -4.492720      3.984549  
1 1 1 6  31 15 f 12.71735 2.711046  1.551966       0.7097911 1.177290       0.8538978 2.389654       1.276789  -4.018447      5.422091  
1 1 1 6  31 16 o 8.613459 2.478747  0.3531925      0.6927994 0.7827780      0.8266144 -0.6609147     1.270048  1.417638       4.957494  
1 1 1 6  31 17 o 24.23108 2.039084  6.223918       0.9842104 7.009037       1.462680  5.574324       1.330463  2.804327       4.078168  
1 1 1 6  31 18 o 16.67347 2.622716  3.277373       0.8529046 3.389352       1.197493  3.162081       1.215078  0.6981201      5.245431  
1 1 1 6  31 19 o 22.66107 2.040110  5.808618       0.8980563 6.287874       1.179512  5.147608       1.385234  2.910748       4.080220  
1 1 1 6  31 20 o 8.672811 2.596184  0.5344144      0.7600285 0.8986531      1.222526  0.3049523      0.9703327 1.659546       5.192368  
1 1 1 6  32 0  o 10.86385 3.552740  1.610344       0.9738529 2.638501       1.372030  0.5664324      1.382502  0.000000       0.000000  
1 1 1 6  32 1  o 17.55576 2.161280  3.195347       0.7292806 3.884177       1.025002  2.489162       1.037834  4.246630       4.322561  
1 1 1 6  32 2  o 138.2555 1.391951  190.5942       3.790371  186.5558       4.923773  196.4686       5.938482  -3.540085      2.783903  
1 1 1 6  32 3  o 49.53795 1.071806  24.70105       1.050724  25.60131       1.403359  23.55254       1.585076  2.074261       2.143612  
1 1 1 6  32 4  o 26.75550 1.588323  7.046883       0.8422099 6.060266       1.109953  8.385803       1.293027  -4.336014      3.176647  
1 1 1 6  32 5  o 79.92839 1.019424  63.49600       1.605481  61.41686       2.082620  66.54141       2.520526  -3.189629      2.038849  
1 1 1 6  32 6  o 100.4805 1.120885  101.0680       2.228873  100.7889       2.944418  101.4426       3.411009  -0.3031845     2.241771  
1 1 1 6  32 7  o 70.97650 0.9402006 50.38746       1.331873  49.53877       1.819111  51.36804       1.955368  -1.281258      1.880401  
1 1 1 6  32 8  o 68.46030 1.028535  47.36023       1.388458  49.69607       1.843901  44.30140       2.110055  3.957909       2.057069  
1 1 1 6  32 9  o 45.43513 1.072371  20.76100       0.9713652 21.58925       1.338887  19.84059       1.411416  1.931553       2.144742  
1 1 1 6  32 10 o 26.75515 1.462369  7.290203       0.7666805 6.725585       1.183788  7.698143       1.006225  -1.844599      2.924738  
1 1 1 6  32 11 o 66.51010 1.079327  44.88875       1.378987  42.70796       2.264517  46.17406       1.738498  -2.678391      2.158653  
1 1 1 6  32 12 o 7.232249 2.193793  -0.1330890     0.5909839 0.3135977      0.8293305 -0.5939404     0.8423771 1.797673       4.387586  
1 1 1 6  32 13 o 30.84090 1.080861  9.562901       0.6643714 9.750565       0.9855536 9.406590       0.8994631 0.5380783      2.161721  
1 1 1 6  32 14 o 15.13047 2.577824  2.264527       0.7465571 1.696048       0.9112255 3.425178       1.302027  -5.182834      5.155647  
1 1 1 6  32 15 o 42.48170 1.162463  17.93979       0.9470736 17.13890       1.170927  19.45494       1.610530  -2.556324      2.324925  
1 1 1 6  32 16 o 21.22715 2.158902  4.384464       0.8127151 4.009285       0.9356205 5.537699       1.640364  -3.012875      4.317804  
1 1 1 6  32 17 o 9.953455 2.783856  0.8440176      0.8192950 0.8780472      1.123770  0.8054076      1.197012  0.1245594E-01  5.567711  
1 1 1 6  32 18 o 36.72798 1.544214  13.70895       1.092943  12.43767       1.350280  16.12426       1.861179  -4.390728      3.088427  
1 1 1 6  32 19 o 51.43201 1.226015  27.48220       1.259056  26.33220       1.721279  28.80554       1.846451  -2.254089      2.452030  
1 1 1 6  33 0  o 199.1863 2.496905  398.0207       9.934737  390.1087       13.78092  406.5817       14.33514  0.000000       0.000000  
1 1 1 6  33 1  o 54.75298 0.9631911 30.03970       1.053529  31.07256       1.472685  28.95704       1.507765  1.933010       1.926382  
1 1 1 6  33 2  o 14.17469 2.765054  2.052947       0.8023072 2.339005       1.240073  1.846999       1.052201  1.616674       5.530108  
1 1 1 6  33 3  o 99.74036 1.046799  99.58866       2.088135  99.23896       2.943960  99.94272       2.962264  -0.3521194     2.093598  
1 1 1 6  33 4  o 89.94840 0.9935663 80.97238       1.787159  82.60305       2.550619  79.39972       2.504851  1.778915       1.987133  
1 1 1 6  33 5  o 26.43255 1.517164  6.994212       0.8008611 6.480885       1.108813  7.554057       1.157962  -2.026670      3.034327  
1 1 1 6  33 6  o 27.73092 1.458336  7.716739       0.8087856 7.817023       1.148190  7.617976       1.139451  0.3581429      2.916671  
1 1 1 6  33 7  o 54.37851 1.090492  29.70432       1.152460  29.93167       1.468955  29.34034       1.858587  0.5713158      2.180984  
1 1 1 6  33 8  o 24.22286 1.613479  5.901648       0.7697635 5.882181       1.004192  5.929382       1.198664  -0.6972885E-01 3.226958  
1 1 1 6  33 9  o 22.09670 1.747275  4.844150       0.7646734 5.534760       1.186839  4.353998       0.9998637 2.637737       3.494551  
1 1 1 6  33 10 o 90.04751 1.208358  79.87297       2.018830  85.81721       3.666269  77.28625       2.418523  4.555847       2.416715  
1 1 1 6  33 11 o 31.11871 1.142424  9.749588       0.7105445 9.432734       1.010986  10.05888       0.9988473 -1.008369      2.284848  
1 1 1 6  33 12 o 18.77391 1.665607  3.502370       0.6180137 4.166906       0.9674967 3.044312       0.8032487 2.931448       3.331215  
1 1 1 6  33 13 o 22.18615 1.477404  4.958564       0.6501750 5.926569       0.9592227 4.135850       0.8843116 4.010527       2.954809  
1 1 1 6  33 14 o 24.19037 2.043168  6.526752       0.8710474 7.270550       1.053448  4.919090       1.548756  5.129581       4.086336  
1 1 1 6  33 15 o 29.75067 1.480099  8.722444       0.8232543 8.173407       0.9874372 9.974131       1.490930  -2.759172      2.960199  
1 1 1 6  33 16 o 10.54495 2.764460  0.7450774      0.7244989 0.3038812      0.8493488 1.923650       1.388188  -5.115411      5.528920  
1 1 1 6  33 17 o 27.56734 2.097045  8.652023       0.9343774 9.033215       1.067251  7.400708       1.933651  4.074373       4.194089  
1 1 1 6  33 18 o 13.68461 2.915538  2.377307       0.8633044 2.459246       1.167590  2.278487       1.282242  0.6661892      5.831077  
1 1 1 6  33 19 o 15.78052 2.956706  3.524880       0.9893546 4.233588       1.293065  2.524153       1.536543  5.232585       5.913412  
1 1 1 6  34 0  o 23.65858 2.703814  6.122950       1.152492  6.825918       1.568760  5.298680       1.698725  0.000000       0.000000  
1 1 1 6  34 1  o 127.4107 1.221849  162.2454       3.108700  156.6810       4.254930  168.6165       4.552912  -4.670082      2.443697  
1 1 1 6  34 2  o 130.0122 1.344998  168.8116       3.445885  172.6058       5.379719  166.1719       4.487232  2.427078       2.689996  
1 1 1 6  34 3  o 48.06510 1.023714  23.14202       0.9836758 22.59885       1.400021  23.67162       1.382402  -1.116734      2.047429  
1 1 1 6  34 4  o 94.93517 1.029305  90.20038       1.953557  88.05814       2.715969  92.49683       2.812027  -2.332733      2.058610  
1 1 1 6  34 5  o 35.60262 1.230430  12.69850       0.8757544 12.28309       1.218058  13.14302       1.260015  -1.204449      2.460860  
1 1 1 6  34 6  o 30.30207 1.776628  9.093540       0.9295631 8.956679       1.068176  9.520607       1.886908  -0.8375549     3.553256  
1 1 1 6  34 7  o 40.43281 1.184758  16.18107       0.9477680 14.97902       1.236112  17.89576       1.476353  -3.582035      2.369515  
1 1 1 6  34 8  o 29.79184 1.635872  8.615886       0.8760993 9.698144       1.697511  8.222939       1.022855  2.364456       3.271743  
1 1 1 6  34 9  o 10.55255 2.727719  0.8394902      0.6992667 1.279260       1.289701  0.6563804      0.8322086 2.822165       5.455438  
1 1 1 6  34 10 o 39.56454 1.011918  15.71843       0.8004558 15.22504       1.130330  16.21478       1.133708  -1.250317      2.023836  
1 1 1 6  34 11 o 72.82985 0.9879971 53.28457       1.428682  53.07062       1.907364  53.55803       2.156402  -0.2889709     1.975994  
1 1 1 6  34 12 o 11.92485 2.410998  1.484182       0.6397977 0.7970523      0.9153399 2.140580       0.8946363 -4.435326      4.821997  
1 1 1 6  34 13 o 11.33144 2.548964  1.343051       0.7285523 2.011969       0.9022030 0.8924975E-01  1.235186  4.600780       5.097928  
1 1 1 6  34 14 o 26.88563 1.910010  7.418937       0.9990914 7.253142       1.268005  7.690395       1.622501  -0.5952034     3.820019  
1 1 1 6  34 15 o 25.24711 1.978588  6.890610       0.8536209 7.143201       0.9921529 6.170794       1.674864  2.435810       3.957175  
1 1 1 6  34 16 o 22.69921 2.162241  5.289715       0.8365765 5.035247       0.9520426 6.152042       1.752572  -1.414280      4.324481  
1 1 1 6  34 17 o 21.16620 2.225186  4.907074       0.9354668 4.433968       1.237488  5.537926       1.428977  -2.275064      4.450371  
1 1 1 6  34 18 o 38.25690 1.542293  15.63148       1.149772  15.68801       1.474826  15.54388       1.835877  0.7397766      3.084585  
1 1 1 6  34 19 o 32.41864 1.711097  11.21759       1.087303  13.94104       1.765142  9.552359       1.380252  5.913725       3.422193  
1 1 1 6  35 0  o 36.10765 1.675493  12.95226       1.184510  10.69682       1.558376  16.03816       1.822841  0.000000       0.000000  
1 1 1 6  35 1  o 157.2304 1.440160  247.9100       4.528366  250.3909       6.454963  245.5058       6.354375  1.546204       2.880320  
1 1 1 6  35 2  o 103.5217 1.084040  107.3094       2.243640  109.1951       3.225367  105.5414       3.123076  1.758682       2.168080  
1 1 1 6  35 3  o 17.03527 2.358498  3.028467       0.7847798 1.631092       1.077644  4.606306       1.145119  -8.722146      4.716995  
1 1 1 6  35 4  o 44.47783 1.041267  19.44530       0.9132878 24.74088       1.392470  15.44756       1.209864  10.43483       2.082534  
1 1 1 6  35 5  o 22.33727 1.909075  5.109410       0.8302352 5.454810       1.080801  4.612208       1.296736  1.914167       3.818150  
1 1 1 6  35 6  o 123.7649 1.302119  152.9778       3.170264  158.5032       4.992138  149.2435       4.104062  3.637260       2.604238  
1 1 1 6  35 7  o 44.43616 1.236646  20.42505       1.043048  17.79735       1.712434  21.97498       1.315167  -4.749500      2.473293  
1 1 1 6  35 8  o 34.26248 1.170199  11.78017       0.8004833 11.92392       1.170135  11.65372       1.097465  0.3850937      2.340399  
1 1 1 6  35 9  o 79.24557 0.9392638 62.99875       1.488443  64.48159       2.114960  61.54359       2.095132  1.851295       1.878528  
1 1 1 6  35 10 o 20.89270 1.726465  4.411833       0.7189845 3.941294       0.9833245 4.952381       1.053940  -2.397369      3.452929  
1 1 1 6  35 11 o 56.10869 0.9196576 31.63831       1.031827  31.89814       1.475747  31.38980       1.443242  0.4465828      1.839315  
1 1 1 6  35 12 o 86.95684 0.9798144 76.09010       1.703908  77.33808       2.423976  74.87112       2.395652  1.411942       1.959629  
1 1 1 6  35 13 o 23.42447 1.533720  5.702092       0.7019445 4.915899       1.065223  6.305510       0.9332216 -3.022751      3.067440  
1 1 1 6  35 14 o 9.066761 2.786206  0.3925444E-01  0.8851351 0.8290464E-01  1.068623  -0.5614078E-01 1.579773  -1.381690      5.572412  
1 1 1 6  35 15 o 7.890227 2.526445  -0.7473450     0.7860026 -1.221152      0.9366258 0.3808035      1.445268  -4.130583      5.052889  
1 1 1 6  35 16 o 21.92906 2.213668  5.146038       0.9608635 4.416389       1.259013  6.163867       1.486999  -3.647455      4.427336  
1 1 1 6  35 17 o 47.93776 1.196534  23.93888       1.102426  24.31862       1.388320  23.29075       1.813726  1.517975       2.393068  
1 1 1 6  35 18 o 27.41861 1.954714  8.376842       1.053896  8.565517       1.385685  8.117941       1.623206  1.285315       3.909429  
1 1 1 6  36 0  o 21.03876 3.903589  5.633647       1.372149  6.370323       1.695014  4.233023       2.337198  0.000000       0.000000  
1 1 1 6  36 1  o 38.14890 1.238611  14.64960       0.9251825 14.87306       1.197389  14.31854       1.457411  0.7476616      2.477221  
1 1 1 6  36 2  o 48.89748 1.196988  23.99837       1.169212  25.15754       1.645622  22.81668       1.661525  2.394886       2.393977  
1 1 1 6  36 3  f 44.30616 1.475174  19.50950       1.235102  19.10596       1.508847  20.32905       2.150239  -1.316696      2.950348  
1 1 1 6  36 4  o 24.94431 1.758516  6.411963       0.8494431 5.592520       1.330164  6.976271       1.103834  -2.805120      3.517033  
1 1 1 6  36 5  o 146.9424 1.368313  216.9074       4.020116  213.3251       5.604186  220.7049       5.770045  -2.489731      2.736627  
1 1 1 6  36 6  f 44.89418 1.039519  20.21816       0.9316444 18.61630       1.304313  21.88671       1.331187  -3.639473      2.079038  
1 1 1 6  36 7  o 38.77213 1.097546  15.08886       0.8510491 14.98881       1.206190  15.18805       1.200958  -0.2575645     2.195091  
1 1 1 6  36 8  o 80.11192 1.018794  64.62660       1.621161  66.32113       2.185650  62.55416       2.417122  2.381653       2.037588  
1 1 1 6  36 9  o 57.83475 0.9203342 33.58349       1.064383  33.00449       1.489612  34.18748       1.521421  -1.017448      1.840668  
1 1 1 6  36 10 o 61.50235 0.9191787 38.00219       1.130372  37.31242       1.577982  38.72919       1.620022  -1.143589      1.838357  
1 1 1 6  36 11 o 11.35686 2.562265  1.258821       0.7181970 0.3790606      1.060511  2.004105       0.9760994 -4.560920      5.124530  
1 1 1 6  36 12 o 62.10672 0.9174033 38.82790       1.139220  39.11798       1.633026  38.55289       1.590034  0.4436569      1.834807  
1 1 1 6  36 13 o 17.11641 1.880124  3.028910       0.6433101 2.939423       0.8931765 3.125375       0.9273407 -0.5208359     3.760247  
1 1 1 6  36 14 o 10.76596 2.609507  1.084311       0.6666638 1.636102       1.092467  0.7569098      0.8415146 3.022214       5.219015  
1 1 1 6  36 15 o 9.904902 2.919168  0.5246150      0.9742305 0.9829897      1.364421  0.4785342E-01  1.391518  1.617491       5.838336  
1 1 1 6  36 16 o 10.57068 2.735459  1.220308       0.7614540 1.495212       0.9125314 0.5900524      1.381707  1.570030       5.470919  
1 1 1 6  36 17 o 24.44026 1.889665  6.512946       0.8836209 6.435162       1.101505  6.653362       1.479946  0.2240524      3.779329  
1 1 1 6  36 18 o 40.43354 1.679645  18.08522       1.354517  19.29988       1.903395  16.83896       1.927995  3.097042       3.359290  
1 1 1 6  37 0  o 82.99593 1.770365  68.57146       2.704055  71.22482       4.924430  67.42603       3.235484  0.000000       0.000000  
1 1 1 6  37 1  o 54.38409 1.068268  29.23097       1.137988  27.68852       1.451896  31.68796       1.832449  -3.643913      2.136536  
1 1 1 6  37 2  o 36.96733 1.152432  13.69423       0.8515317 14.24157       1.229671  13.18992       1.180339  1.417435       2.304863  
1 1 1 6  37 3  o 35.42753 1.133616  12.58979       0.8029076 12.45605       1.117498  12.73251       1.154365  -0.3862610     2.267232  
1 1 1 6  37 4  o 38.72639 1.176499  15.16086       0.9002109 12.40641       1.268042  17.95962       1.278200  -7.168629      2.352997  
1 1 1 6  37 5  o 15.38203 2.433047  2.478251       0.7325743 1.990366       0.9996724 3.044152       1.076636  -3.313210      4.866094  
1 1 1 6  37 6  o 123.9300 1.291360  154.6432       3.178617  156.5838       4.267286  152.2244       4.764127  1.830429       2.582721  
1 1 1 6  37 7  o 44.28969 1.075251  19.79911       0.9455488 20.68722       1.280745  18.73507       1.401864  2.220741       2.150502  
1 1 1 6  37 8  o 49.43363 0.9957054 24.55784       0.9777575 24.55634       1.470598  24.55902       1.308985  -0.3104782E-01 1.991411  
1 1 1 6  37 9  o 86.90569 1.071568  75.97431       1.839675  76.31040       2.834397  75.72965       2.418261  0.2446442      2.143135  
1 1 1 6  37 10 o 43.96656 1.000837  19.37647       0.8762457 18.73297       1.177464  20.17516       1.311787  -1.611477      2.001675  
1 1 1 6  37 11 o 57.76884 1.054207  33.77458       1.191498  34.28618       1.540095  33.01183       1.880491  1.196125       2.108413  
1 1 1 6  37 12 o 41.22535 1.070068  17.15388       0.8821111 17.55969       1.248819  16.74979       1.246173  0.9814835      2.140136  
1 1 1 6  37 13 o 13.46453 2.401938  2.002589       0.6693423 2.692688       0.9402280 1.293481       0.9530891 4.652589       4.803876  
1 1 1 6  37 14 o 21.05649 3.135316  4.544642       0.9224002 6.008893       2.557501  4.325693       0.9889616 1.332357       6.270633  
1 1 1 6  37 15 o 9.540708 2.724855  0.4491784      0.7800969 -0.2573220E-01 0.9554999 1.398522       1.350941  -3.960304      5.449711  
1 1 1 6  37 16 o 8.310070 2.597044  0.2749617E-01  0.8519709 0.5306611      1.000773  -1.297259      1.623858  0.8106012      5.194087  
1 1 1 6  37 17 o 19.76495 2.392858  4.698652       0.8824699 5.271141       1.148904  3.874918       1.378142  4.354147       4.785716  
1 1 1 6  38 0  o 50.39323 1.500221  25.58438       1.478252  25.74080       2.327030  25.47855       1.914079  0.000000       0.000000  
1 1 1 6  38 1  o 41.16841 1.251248  16.92138       1.026793  18.91771       1.516077  15.22971       1.395602  4.464016       2.502496  
1 1 1 6  38 2  o 67.53369 1.196975  45.99538       1.579362  44.85350       2.501672  46.75211       2.036520  -1.462578      2.393949  
1 1 1 6  38 3  o 57.42459 1.499518  32.65359       1.480880  34.26789       3.025201  32.14486       1.698266  1.645599       2.999037  
1 1 1 6  38 4  o 9.050156 2.514923  0.7648699E-02  0.7676215 1.235125       1.096768  -1.170990      1.074728  4.843531       5.029845  
1 1 1 6  38 5  o 60.25853 1.022294  36.32155       1.210441  37.07798       1.906897  35.81107       1.566506  1.008995       2.044588  
1 1 1 6  38 6  o 62.59421 1.017819  39.17499       1.255535  40.23800       1.961530  38.43719       1.634155  1.394508       2.035639  
1 1 1 6  38 7  o 27.88616 1.279652  7.848486       0.7127590 8.022753       0.9900572 7.660995       1.026941  0.6570759      2.559304  
1 1 1 6  38 8  o 34.03217 1.174012  11.63279       0.7964272 12.11893       1.184422  11.23158       1.076004  1.278580       2.348024  
1 1 1 6  38 9  o 54.60671 1.028843  29.72141       1.105618  28.49158       1.427829  31.56303       1.747250  -2.743191      2.057685  
1 1 1 6  38 10 o 61.56211 1.073399  38.43900       1.276829  39.16708       1.618543  37.23927       2.077654  1.683838       2.146798  
1 1 1 6  38 11 o 35.92414 1.156324  13.06964       0.8279205 14.35710       1.173648  11.79434       1.168084  3.565079       2.312648  
1 1 1 6  38 12 o 53.03688 0.9723473 28.37631       1.030735  27.26777       1.427960  29.58219       1.489334  -2.159363      1.944695  
1 1 1 6  38 13 o 43.34318 1.382779  19.21210       1.196182  20.09598       1.666899  18.27369       1.717551  2.128895       2.765558  
1 1 1 6  38 14 o 28.80089 1.689413  8.640772       0.9093609 8.926920       1.606446  8.505846       1.103115  0.2055912      3.378826  
1 1 1 6  38 15 o 12.89137 3.069428  1.810869       0.8297038 1.570955       0.9483863 2.593505       1.712924  -2.583679      6.138856  
1 1 1 6  38 16 o 8.462872 2.622167  -0.9424121E-01 0.8344772 -0.6898791     1.048347  0.9357934      1.378605  -3.505027      5.244335  
1 1 1 6  38 17 o 10.80782 3.071154  1.445288       1.048364  0.7509639      1.660646  1.905359       1.351787  -1.921247      6.142308  
1 1 1 6  39 0  f 89.69418 1.717605  81.91664       2.950206  84.46107       3.716290  77.58033       4.851489  0.000000       0.000000  
1 1 1 6  39 1  o 51.21095 1.039758  26.46185       1.058126  24.60273       1.551592  28.07818       1.446736  -3.404987      2.079515  
1 1 1 6  39 2  o 81.61800 0.9688030 66.80853       1.581353  67.76463       2.246118  65.86885       2.226751  1.159264       1.937606  
1 1 1 6  39 3  o 31.65465 1.239298  10.06959       0.7827103 11.03746       1.122331  9.153115       1.092126  2.971844       2.478595  
1 1 1 6  39 4  o 64.53130 0.9240307 41.76417       1.192361  42.90169       1.699128  40.66047       1.673667  1.733482       1.848061  
1 1 1 6  39 5  o 88.91772 0.9884501 79.36996       1.757675  80.30973       2.505036  78.45860       2.466860  1.035423       1.976900  
1 1 1 6  39 6  o 39.04141 1.088088  15.33525       0.8495045 15.67003       1.205984  15.00554       1.196830  0.8491783      2.176175  
1 1 1 6  39 7  o 59.16370 0.9378629 35.17727       1.109711  35.41334       1.577318  34.94589       1.561539  0.3920631      1.875726  
1 1 1 6  39 8  o 66.58284 0.9923246 44.66107       1.315287  45.34922       1.784199  43.84196       1.946585  1.165726       1.984649  
1 1 1 6  39 9  o 94.17746 1.721718  88.75465       2.467318  87.84681       2.713417  93.08931       5.929133  -1.556137      3.443437  
1 1 1 6  39 10 o 59.89960 0.9544013 36.14711       1.143090  37.18699       1.621590  35.12001       1.611604  1.722618       1.908803  
1 1 1 6  39 11 f 45.92652 1.084246  21.24862       0.9876915 21.98320       1.506939  20.69540       1.307756  1.327679       2.168492  
1 1 1 6  39 12 f 8.143892 2.450106  -0.7339019E-02 0.7436637 -1.078688      1.231104  0.6081874      0.9331523 -1.873992      4.900212  
1 1 1 6  39 13 o 48.74875 1.335178  24.54112       1.202723  24.70942       1.451610  24.17259       2.148012  1.066093       2.670357  
1 1 1 6  39 14 o 26.03716 1.744267  7.227888       0.8989813 6.330743       1.302093  8.045043       1.242690  -3.360184      3.488534  
1 1 1 6  39 15 o 16.22982 2.628190  3.372725       0.8255031 3.849463       1.007903  2.401242       1.438784  5.154408       5.256380  
1 1 1 6  39 16 o 28.71032 1.765238  8.997557       1.007039  9.803206       1.399905  8.133529       1.449739  2.993431       3.530476  
1 1 1 6  40 0  o 68.82812 1.608411  47.68945       2.094263  47.55341       2.579912  47.95231       3.586102  0.000000       0.000000  
1 1 1 6  40 1  o 39.76318 1.167360  16.00832       0.9078862 15.30057       1.425399  16.49144       1.177669  -1.534931      2.334720  
1 1 1 6  40 2  o 62.53372 0.9882891 39.34949       1.231216  40.57993       1.684906  37.93966       1.803547  2.126701       1.976578  
1 1 1 6  40 3  o 20.29100 1.713656  4.200440       0.6863157 4.401115       0.9137671 3.940716       1.039546  1.166265       3.427312  
1 1 1 6  40 4  o 46.86335 1.025355  21.73488       0.9524108 19.58559       1.248915  24.72185       1.472311  -5.438965      2.050710  
1 1 1 6  40 5  o 51.17248 0.9984600 26.00920       1.012842  24.11897       1.329750  28.62114       1.563135  -4.356289      1.996920  
1 1 1 6  40 6  o 28.28303 1.384793  8.081166       0.7791814 7.990127       1.046815  8.194267       1.166778  -0.3254929     2.769587  
1 1 1 6  40 7  o 18.92896 1.812927  3.585137       0.6796221 3.031896       0.8965913 4.332336       1.041970  -3.379498      3.625853  
1 1 1 6  40 8  o 14.64437 2.578864  2.018034       0.8018275 0.8481311      1.016293  3.947033       1.304999  -9.115107      5.157727  
1 1 1 6  40 9  o 24.53077 1.581762  6.179873       0.7680765 6.474142       1.031420  5.813535       1.150810  1.400450       3.163524  
1 1 1 6  40 10 o 33.42016 1.213334  11.28533       0.8063082 11.55268       1.213014  11.07369       1.079254  0.6668510      2.426669  
1 1 1 6  40 11 o 14.92412 2.470419  2.626370       0.7656165 1.300081       1.225884  3.474514       0.9803140 -6.760221      4.940837  
1 1 1 6  40 12 o 53.54729 0.9978912 29.01347       1.068057  29.24909       1.539742  28.79496       1.482788  0.3995285      1.995782  
1 1 1 6  40 13 o 21.24051 2.458778  4.286431       0.9250807 3.374719       1.061477  7.165908       1.886420  -7.785402      4.917556  
1 1 1 6  40 14 o 34.28328 1.563744  12.58090       1.044830  13.48152       1.368799  11.32354       1.617330  3.445965       3.127489  
1 1 1 6  40 15 o 36.02417 1.482558  14.06415       1.008960  14.88759       1.264005  12.61813       1.675014  3.714165       2.965116  
1 1 1 6  40 16 o 11.32080 3.214088  1.592032       1.128344  2.454419       1.683533  0.8887199      1.520354  2.903978       6.428177  
1 1 1 6  41 0  o 6.966390 3.081871  0.2476700      0.9013103 0.8004192      1.225558  -0.4034472     1.330146  0.000000       0.000000  
1 1 1 6  41 1  f 62.29563 1.020216  39.15613       1.255045  38.09552       1.920044  39.94735       1.658372  -1.534912      2.040431  
1 1 1 6  41 2  o 38.19085 1.072631  14.65477       0.8187886 15.21979       1.182998  14.13520       1.134413  1.410404       2.145261  
1 1 1 6  41 3  o 13.41098 2.461543  1.924544       0.6661347 1.952121       0.9291787 1.895383       0.9554856 0.1937838      4.923085  
1 1 1 6  41 4  o 68.39706 0.9265924 46.97477       1.266901  45.77314       1.758242  48.27232       1.827076  -1.813889      1.853185  
1 1 1 6  41 5  f 67.09778 0.9363262 45.23404       1.254401  44.82352       1.721283  45.69900       1.831859  -0.6302185     1.872652  
1 1 1 6  41 6  o 31.59586 1.254527  10.06547       0.7910556 9.884418       1.079740  10.27526       1.162255  -0.5961761     2.509054  
1 1 1 6  41 7  o 28.81716 1.555992  8.188412       0.8581843 7.621964       1.053704  9.304424       1.479016  -2.760677      3.111984  
1 1 1 6  41 8  o 9.706858 2.648411  0.6661929      0.7389579 1.013584       1.060844  0.3387530      1.029930  1.748673       5.296822  
1 1 1 6  41 9  o 9.540140 2.815938  0.2001050      0.8131172 0.8861601      1.544617  -0.6289522E-01 0.9563556 3.638121       5.631876  
1 1 1 6  41 10 o 20.74601 1.813660  4.443789       0.7521229 4.641413       1.081616  4.258765       1.046575  0.8993549      3.627321  
1 1 1 6  41 11 o 64.53180 0.9851455 42.08237       1.271253  41.87106       1.811702  42.28732       1.784259  -0.3328171     1.970291  
1 1 1 6  41 12 o 45.88953 1.143182  21.57553       1.041633  21.88776       1.398385  21.18636       1.561213  0.8781738      2.286364  
1 1 1 6  41 13 o 69.95454 1.120801  50.39331       1.540691  51.41153       2.013660  48.95558       2.392792  2.057343       2.241602  
1 1 1 6  41 14 o 19.94682 2.435829  4.504232       0.9368967 3.559630       1.224468  5.838241       1.455132  -5.498941      4.871657  
1 1 1 6  41 15 o 10.71511 3.144712  1.071713       1.115258  1.494046       1.598482  0.6711342      1.556770  1.470490       6.289425  
1 1 1 6  42 0  o 86.16149 1.417505  74.81329       2.439146  75.48848       3.421447  74.11553       3.478201  0.000000       0.000000  
1 1 1 6  42 1  o 45.54566 1.021553  20.84216       0.9298300 21.81581       1.346048  19.95349       1.285965  2.031403       2.043107  
1 1 1 6  42 2  o 46.44775 0.9880000 21.70242       0.9177885 21.50921       1.295850  21.89688       1.300058  -0.4164085     1.976000  
1 1 1 6  42 3  f 61.96696 0.9474824 38.60557       1.174226  38.70120       1.667001  38.51140       1.654284  0.1505852      1.894965  
1 1 1 6  42 4  o 12.17612 2.567330  1.528619       0.6807222 1.151712       0.9233394 1.977397       1.007534  -2.762900      5.134660  
1 1 1 6  42 5  o 27.78955 1.340872  7.804561       0.7448173 8.179535       1.069906  7.451955       1.037502  1.299250       2.681744  
1 1 1 6  42 6  o 53.70023 1.079173  29.24556       1.143070  30.17252       1.511193  28.00600       1.747530  2.082066       2.158347  
1 1 1 6  42 7  o 24.95314 1.697135  6.395696       0.8354253 6.224507       1.281578  6.522194       1.101666  -0.6840820     3.394271  
1 1 1 6  42 8  f 13.48903 2.534166  2.006860       0.7429903 1.027293       1.087261  2.865063       1.017681  -5.655773      5.068331  
1 1 1 6  42 9  o 34.36015 1.211743  12.02832       0.8253388 11.62336       1.240610  12.34985       1.105457  -1.116428      2.423485  
1 1 1 6  42 10 o 14.66661 2.656196  2.402025       0.7831360 2.456664       1.100211  2.345910       1.114980  0.3569136      5.312392  
1 1 1 6  42 11 o 11.98795 2.552789  1.515856       0.7137405 0.6929883      0.9686576 2.493280       1.055715  -5.505900      5.105579  
1 1 1 6  42 12 o 17.94850 2.242262  3.588780       0.7784067 2.942771       1.095405  4.247754       1.106343  -3.904517      4.484525  
1 1 1 6  42 13 o 13.46226 2.883909  1.793304       0.9509130 0.3898615      1.215045  4.011527       1.527558  -8.922895      5.767817  
1 1 1 6  42 14 o 8.290912 2.586753  -0.8868304E-02 0.8453674 -0.5072372     1.126676  0.6331421      1.278777  -2.208232      5.173507  
1 1 1 6  42 15 o 9.303146 2.842670  0.6432081      0.9956968 1.114038       1.240064  -0.2111720     1.670465  1.282581       5.685339  
1 1 1 6  43 0  o 89.10266 1.448557  79.79212       2.571852  76.96185       3.492080  83.14696       3.801939  0.000000       0.000000  
1 1 1 6  43 1  f 52.70482 0.9721685 27.89315       1.023914  26.57692       1.416226  29.33465       1.482085  -2.602345      1.944337  
1 1 1 6  43 2  o 51.88990 0.9997479 27.08589       1.037283  27.94088       1.480052  26.26054       1.454170  1.613407       1.999496  
1 1 1 6  43 3  o 47.34975 1.127554  22.48624       1.058735  21.73615       1.398757  23.49244       1.620058  -1.797237      2.255109  
1 1 1 6  43 4  o 62.34471 1.340933  39.05776       1.588355  38.40634       1.954156  40.32600       2.726646  -1.285252      2.681866  
1 1 1 6  43 5  o 71.22542 1.052111  51.36989       1.491981  48.62655       2.178729  53.79237       2.047353  -3.665215      2.104222  
1 1 1 6  43 6  o 49.11835 1.007127  24.36825       0.9873806 23.35582       1.422273  25.31013       1.371827  -2.003857      2.014255  
1 1 1 6  43 7  f 79.16399 0.9962032 63.00153       1.573947  59.72930       2.142537  66.83765       2.319810  -4.433022      1.992406  
1 1 1 6  43 8  o 10.82336 2.639571  1.008826       0.7563288 1.911425       1.086510  0.1602771      1.053476  4.696140       5.279142  
1 1 1 6  43 9  o 28.88256 1.421273  8.430808       0.8118387 7.916354       1.059119  9.163690       1.264119  -2.045622      2.842546  
1 1 1 6  43 10 o 56.30417 1.019307  32.22692       1.147676  32.94435       1.635207  31.53044       1.611179  1.241615       2.038613  
1 1 1 6  43 11 o 41.95679 1.131751  18.03874       0.9494043 17.88021       1.355675  18.19133       1.330014  -0.3904152     2.263503  
1 1 1 6  43 12 o 19.22374 2.526274  4.244609       0.9311201 4.168578       1.202886  4.358271       1.470736  0.3820057      5.052549  
1 1 1 6  43 13 o 11.69902 3.056508  1.619616       0.9314918 1.486753       1.200882  1.820300       1.475899  -0.9046659     6.113016  
1 1 1 6  43 14 o 7.774760 2.563348  -0.6128673     0.9627569 -0.8502040     1.247471  -0.2632831     1.513994  -1.385777      5.126697  
1 1 1 6  44 0  o 10.31346 3.529147  1.397417       1.041656  2.705719       1.428354  -0.8881497E-01 1.522387  0.000000       0.000000  
1 1 1 6  44 1  o 52.58353 1.102202  27.96542       1.147921  28.40465       1.528054  27.39643       1.739169  1.019295       2.204403  
1 1 1 6  44 2  o 44.39464 1.169942  19.33290       1.009423  17.61954       1.263158  22.36048       1.679115  -5.206287      2.339884  
1 1 1 6  44 3  o 16.51785 2.307603  2.932202       0.7351353 3.017090       1.052164  2.851239       1.027549  0.4836884      4.615205  
1 1 1 6  44 4  o 57.20139 0.9807419 32.96553       1.121702  33.36983       1.608356  32.58263       1.565178  0.6759605      1.961484  
1 1 1 6  44 5  o 78.27264 1.163541  62.15522       1.748884  61.15628       2.898720  62.72695       2.192981  -1.236748      2.327083  
1 1 1 6  44 6  o 38.17643 1.224183  14.70407       0.9154427 15.28224       1.461153  14.33047       1.174541  1.117699       2.448367  
1 1 1 6  44 7  o 16.33735 2.528854  2.947541       0.8037964 3.148740       1.118252  2.732463       1.156175  1.296821       5.057708  
1 1 1 6  44 8  o 57.00830 1.020511  32.84838       1.163187  32.06676       1.620596  33.67889       1.670529  -1.394333      2.041021  
1 1 1 6  44 9  o 58.51664 1.022229  34.58817       1.192066  32.15690       1.605183  37.57789       1.780012  -4.530937      2.044457  
1 1 1 6  44 10 f 9.114246 2.616159  0.5790303      0.7510438 0.2961752      1.144996  0.7926316      0.9950016 -0.7094822     5.232318  
1 1 1 6  44 11 o 34.54991 1.490513  12.62246       0.9889027 12.93112       1.247948  12.10154       1.621227  1.624729       2.981026  
1 1 1 6  44 12 o 18.17014 2.920734  3.835270       0.9544561 3.404469       1.120800  4.972134       1.820725  -2.335724      5.841469  
1 1 1 6  44 13 o 11.68149 3.111780  1.673122       1.089901  2.357285       1.269177  -0.2484999     2.127045  3.626479       6.223560  
1 1 1 6  44 14 o 15.01021 3.549170  3.502688       1.260458  4.269496       1.873101  2.868091       1.703989  2.796094       7.098340  
1 1 1 6  45 0  o 40.86787 1.570732  16.89985       1.271408  15.61359       1.714141  18.47287       1.895607  0.000000       0.000000  
1 1 1 6  45 1  o 49.25848 1.295870  24.72306       1.168900  24.25335       2.123272  24.92733       1.400177  -0.9432945     2.591740  
1 1 1 6  45 2  o 14.83678 2.892533  2.173112       0.8705177 3.468703       1.494215  1.507429       1.071058  5.643136       5.785066  
1 1 1 6  45 3  o 17.17228 2.886697  3.142143       0.9296389 3.682536       1.641122  2.886806       1.128086  1.809305       5.773395  
1 1 1 6  45 4  o 11.05352 2.857641  1.155189       0.8277059 0.7174593      1.359544  1.412987       1.043351  -1.114882      5.715281  
1 1 1 6  45 5  o 38.67788 1.290907  15.74116       0.9594998 12.81047       1.490318  17.81598       1.253961  -6.579182      2.581815  
1 1 1 6  45 6  o 31.42200 1.390266  10.04121       0.8508821 10.28000       1.374650  9.892901       1.083366  0.4579010      2.780531  
1 1 1 6  45 7  o 28.56474 1.679870  8.274673       0.9181005 8.872158       1.563829  7.960427       1.134122  1.321308       3.359741  
1 1 1 6  45 8  o 31.55927 1.374920  10.29483       0.8647016 9.892759       1.261403  10.65127       1.187670  -1.260473      2.749840  
1 1 1 6  45 9  o 22.91116 1.814101  5.583688       0.8304123 5.877766       1.177375  5.292582       1.171409  1.269711       3.628202  
1 1 1 6  45 10 o 33.50264 1.559651  12.30358       0.9842713 13.76418       1.254593  9.965537       1.587316  6.047798       3.119302  
1 1 1 6  45 11 o 19.16485 3.310384  5.193645       1.131054  5.467010       1.258752  4.047707       2.577210  6.219521       6.620769  
1 1 1 6  45 12 o 10.15446 3.068524  0.7974257      1.093373  0.9199194      1.403070  0.6080212      1.744690  -0.3843784E-01 6.137047  
1 1 1 6  45 13 o 10.35468 3.119741  0.8055748      1.245836  -0.8616083     1.814288  2.293127       1.713763  -4.073247      6.239483  
1 1 1 6  46 0  o 78.08144 1.655090  62.21814       2.474936  62.74746       3.101741  61.29060       4.105970  0.000000       0.000000  
1 1 1 6  46 1  o 18.50978 2.131702  3.627141       0.7639672 4.326997       1.114201  3.006179       1.049523  3.777262       4.263403  
1 1 1 6  46 2  f 47.80214 1.062306  23.12234       1.015565  23.03333       1.441312  23.21010       1.431193  -0.1888924     2.124612  
1 1 1 6  46 3  o 34.16369 1.254804  11.85949       0.8560275 11.88268       1.178898  11.83362       1.245018  0.1015663      2.509608  
1 1 1 6  46 4  o 8.810718 2.561836  0.3705078      0.7255224 0.4141693      1.044513  0.3298035      1.008521  0.2983456      5.123673  
1 1 1 6  46 5  o 12.96300 2.456890  1.832495       0.6678920 1.263355       0.9260899 2.449367       0.9641425 -3.955752      4.913781  
1 1 1 6  46 6  o 28.56365 1.511395  8.407438       0.8609872 7.671690       1.213940  9.152176       1.221333  -2.586529      3.022789  
1 1 1 6  46 7  o 15.81401 2.606649  2.880206       0.8100023 2.933012       1.145505  2.827399       1.145527  0.3237696      5.213298  
1 1 1 6  46 8  o 17.20587 2.487057  3.408008       0.8269932 3.756816       1.163732  3.052142       1.175446  2.066477       4.974114  
1 1 1 6  46 9  o 14.59633 2.826642  2.737398       0.8713945 3.208948       1.072957  1.823765       1.493498  4.277529       5.653285  
1 1 1 6  46 10 o 12.93794 3.037824  2.245312       0.9829276 2.746319       1.127519  0.6590684      2.006260  4.190236       6.075647  
1 1 1 6  46 11 o 8.478332 2.776752  -0.5997459     1.125309  -1.266108      1.558719  0.1256370      1.626284  -1.673522      5.553504  
1 1 1 6  46 12 o 22.65388 3.263288  7.073859       1.404770  7.162721       2.300065  7.020990       1.774100  -2.177551      6.526577  
1 1 1 6  47 0  o 37.40479 2.518853  14.10963       1.582916  16.33172       3.302492  13.44687       1.803593  0.000000       0.000000  
1 1 1 6  47 1  o 36.31499 1.294736  13.64419       0.9229289 12.08670       1.394770  14.85732       1.230962  -3.898972      2.589473  
1 1 1 6  47 2  o 8.495892 2.491644  0.2785974      0.6992042 0.4831935      0.9890429 0.7418236E-01  0.9886054 0.8941402      4.983288  
1 1 1 6  47 3  o 9.969172 2.604853  0.5704146      0.7510163 -0.2866822     0.9962494 1.698626       1.143006  -5.100493      5.209707  
1 1 1 6  47 4  o 15.97005 2.468040  2.828454       0.7645918 2.721098       1.037850  2.955879       1.130699  -0.6098976     4.936080  
1 1 1 6  47 5  o 8.883397 2.470391  0.1725916      0.7681199 1.373368       1.029101  -1.337870      1.154202  4.693292       4.940783  
1 1 1 6  47 6  o 15.71695 2.492562  2.834847       0.7653922 3.129323       1.093358  2.551860       1.071819  1.759286       4.985123  
1 1 1 6  47 7  o 37.23466 1.441527  14.22502       1.051726  13.53931       1.344936  15.30437       1.687376  -2.042439      2.883054  
1 1 1 6  47 8  o 14.15711 2.897882  2.401894       0.8304785 2.299974       1.009788  2.614922       1.459879  -0.4168034     5.795764  
1 1 1 6  47 9  o 9.779018 3.085469  0.1939862      1.207563  0.6205910E-01  1.554429  0.3947893      1.917736  -1.141294      6.170938  
1 1 1 6  47 10 o 10.42310 3.053504  0.4373318      1.144622  2.302184       1.703101  -1.098924      1.545788  5.309854       6.107007  
1 1 1 6  47 11 o 38.05408 2.069489  16.49165       1.571952  16.69216       2.298572  16.31547       2.154561  0.1515198      4.138978  
1 1 1 6  48 0  o 13.25399 4.724213  2.619223       1.405864  4.220012       2.678699  2.010664       1.651613  0.000000       0.000000  
1 1 1 6  48 1  o 13.90115 2.653811  2.206463       0.7696769 2.771912       1.098033  1.660258       1.079187  3.466373       5.307621  
1 1 1 6  48 2  o 19.73313 1.928341  4.161484       0.7538320 3.693971       1.094846  4.582897       1.039467  -2.313099      3.856683  
1 1 1 6  48 3  o 23.67311 1.749231  5.891725       0.8264194 5.936448       1.210211  5.852646       1.131248  0.9436226E-01  3.498462  
1 1 1 6  48 4  o 18.68546 2.156898  3.872930       0.7710341 4.708773       1.089077  3.032992       1.091741  4.763876       4.313796  
1 1 1 6  48 5  f 20.82588 1.984719  4.722639       0.8123438 5.483616       1.126313  3.897622       1.172748  3.869019       3.969437  
1 1 1 6  48 6  o 19.58080 2.446049  4.221355       0.9103726 3.862987       1.144496  4.838715       1.502169  -1.542463      4.892099  
1 1 1 6  48 7  o 26.13075 2.668857  8.151006       1.191253  8.508630       1.421363  7.306847       2.183753  4.133600       5.337715  
1 1 1 6  48 8  o 14.87621 3.355628  3.046391       1.308188  4.531603       1.711337  0.9584225      2.029100  7.366955       6.711256  
1 1 1 6  48 9  o 11.28482 3.324740  1.278312       1.306358  -0.7152150E-01 2.241508  1.972626       1.607602  -2.183972      6.649480  
1 1 1 6  48 10 o 12.25106 3.555058  2.012946       1.413106  2.377523       1.822906  1.463965       2.236908  1.275299       7.110117  
1 1 1 6  49 0  o 13.58047 3.911278  2.876236       1.115574  3.717465       1.565031  2.007296       1.590599  0.000000       0.000000  
1 1 1 6  49 1  o 32.67198 1.322427  11.10457       0.8574706 9.765055       1.229598  12.37268       1.196377  -4.020281      2.644855  
1 1 1 6  49 2  o 26.88267 1.585541  7.574689       0.8523430 7.589299       1.216339  7.560594       1.194741  0.3018951E-01  3.171083  
1 1 1 6  49 3  o 18.04884 2.454328  3.732769       0.8538856 4.067183       1.134126  3.295113       1.297436  2.710415       4.908656  
1 1 1 6  49 4  o 14.26560 3.381687  2.406781       1.077019  2.097001       1.302145  3.077672       1.916276  -2.143691      6.763375  
1 1 1 6  49 5  o 23.01600 2.701968  6.267929       1.075328  6.390549       1.277886  5.970466       1.990342  2.713085       5.403936  
1 1 1 6  49 6  o 28.25960 2.282521  9.355036       1.188669  10.38611       1.490547  7.553777       1.970097  5.874989       4.565042  
1 1 1 6  49 7  o 30.35679 2.402079  10.95816       1.382765  12.96194       1.837598  8.342453       2.099523  8.162968       4.804159  
1 1 1 6  49 8  f 14.58969 3.773054  3.095477       1.433195  2.535533       1.900590  3.833608       2.182141  -2.275517      7.546107  
1 1 1 6  49 9  o 12.36193 3.481774  1.206527       1.509984  4.478327       2.257529  -1.442216      2.031234  7.867993       6.963549  
1 1 1 6  50 0  o 24.43229 3.794497  8.537659       1.309689  9.664034       1.537712  5.561949       2.499361  0.000000       0.000000  
1 1 1 6  50 1  o 18.33657 2.832322  4.294833       1.017828  5.205204       1.303591  2.873136       1.629056  6.879837       5.664644  
1 1 1 6  50 2  o 44.98823 1.547835  22.04660       1.311581  24.03579       1.654896  18.68665       2.150793  6.523445       3.095669  
1 1 1 6  50 3  o 29.15362 2.003108  9.178192       1.085788  9.049706       1.314425  9.454216       1.926560  0.2476482      4.006216  
1 1 1 6  50 4  o 13.36856 3.322686  2.158684       1.070839  1.729429       1.339551  2.918641       1.782363  -2.675584      6.645372  
1 1 1 6  50 5  o 20.87833 3.371601  5.773111       1.377540  5.864549       1.954341  5.682825       1.941990  0.3819485      6.743202  
1 1 1 6  50 6  f 15.15350 3.823991  3.588432       1.602416  4.391601       1.915972  1.719047       2.923042  4.824669       7.647983  
1 1 1 6  50 7  o 21.33017 3.597359  6.917408       1.701339  9.328232       2.246330  3.673882       2.605551  12.40937       7.194718  
1 1 1 6  50 8  o 14.28931 3.847417  3.509659       1.608676  4.500908       2.165172  2.288213       2.403466  3.863008       7.694835  
1 1 1 6  51 0  o 8.403570 5.569954  0.4829488      2.357043  0.4829488      2.357043  0.4829488      2.357043  0.000000       0.000000  
1 1 1 6  51 1  f 26.90351 3.919948  10.33983       2.052967  8.998822       3.090560  11.39886       2.746472  -6.043461      7.839896  
1 1 1 6  51 2  o 34.65358 3.224400  14.93966       2.210364  18.06471       3.422327  12.70311       2.895227  6.167429       6.448800  
1 1 1 6  51 3  o 12.98911 5.603144  0.000000       0.000000  ?              ?         1.974831       2.651758  ?              ?         
1 1 1 6  51 4  o 34.65551 3.862766  0.000000       0.000000  ?              ?         14.49315       2.677322  ?              ?         
1 1 1 6  51 5  o 27.34238 5.906715  0.000000       0.000000  ?              ?         11.21730       3.138381  ?              ?         
1 1 1 6  51 6  o 24.64776 5.362559  0.000000       0.000000  ?              ?         8.868983       2.569781  ?              ?         
1 1 1 6  51 7  o 11.21022 5.117634  0.000000       0.000000  ?              ?         1.253216       2.576063  ?              ?         
1 1 1 6  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6  52 2  o 26.38235 4.337287  0.000000       0.000000  ?              ?         8.784872       2.288556  ?              ?         
1 1 1 6  52 3  o 13.71611 5.388191  0.000000       0.000000  ?              ?         2.696747       2.157179  ?              ?         
1 1 1 6  52 4  o 16.24261 6.104524  0.000000       0.000000  ?              ?         4.845733       2.689134  ?              ?         
1 1 1 6  52 5  o 14.94891 5.809935  0.000000       0.000000  ?              ?         4.234745       2.493443  ?              ?         
1 1 1 6  53 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6  53 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6  53 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6  53 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7  0  1  o 332.9350 3.993958  1109.962       26.56957  1093.737       37.03384  1127.171       38.14069  0.000000       0.000000  
1 1 1 7  0  2  o 490.5434 7.244867  2405.960       66.48235  2384.421       80.73055  2451.348       117.1902  0.000000       0.000000  
1 1 1 7  0  3  o 347.9502 5.925236  1216.572       41.18015  1212.591       58.06313  1220.601       58.41350  0.000000       0.000000  
1 1 1 7  0  4  o 228.6002 3.902734  523.7693       17.80847  512.5288       24.65010  536.0411       25.75627  0.000000       0.000000  
1 1 1 7  0  5  o 163.3248 2.434918  266.8408       7.468982  268.3073       13.02598  266.1224       9.116498  0.000000       0.000000  
1 1 1 7  0  6  o 22.30809 1.769176  5.099464       0.7849789 4.445940       1.111799  5.749074       1.108464  0.000000       0.000000  
1 1 1 7  0  7  o 450.0652 6.235071  2039.210       48.83775  2014.900       96.47410  2047.586       56.63001  0.000000       0.000000  
1 1 1 7  0  8  o 853.4755 12.54493  7435.566       205.3931  7048.440       336.9650  7664.429       259.0873  0.000000       0.000000  
1 1 1 7  0  9  o 72.56678 1.575448  52.82600       2.281286  51.69897       3.230444  53.94717       3.222022  0.000000       0.000000  
1 1 1 7  0  10 o 26.62545 2.501622  7.444039       1.242590  7.181498       1.987737  7.612448       1.591998  0.000000       0.000000  
1 1 1 7  0  11 o 29.17201 2.197101  8.681795       1.237577  9.483211       1.955747  8.146574       1.598269  0.000000       0.000000  
1 1 1 7  0  12 o 96.47852 1.924535  92.26311       3.660078  100.1567       5.734510  86.83712       4.754426  0.000000       0.000000  
1 1 1 7  0  13 o 19.81898 2.954593  4.688413       0.8410906 3.950690       1.694100  4.929744       0.9689460 0.000000       0.000000  
1 1 1 7  0  14 o 142.2094 2.227912  198.3047       5.899970  190.6814       7.087735  215.5068       10.64697  0.000000       0.000000  
1 1 1 7  0  15 o 175.7360 2.582504  311.7094       7.736810  307.3103       15.74191  313.1105       8.883799  0.000000       0.000000  
1 1 1 7  0  16 o 87.24634 1.706291  75.22299       2.211169  78.30227       5.472465  74.62218       2.417278  0.000000       0.000000  
1 1 1 7  0  17 o 66.49146 1.696410  44.26201       1.882496  45.04700       3.964334  44.03347       2.139048  0.000000       0.000000  
1 1 1 7  0  18 o 12.83263 4.826357  2.231051       1.534618  3.363760       2.829840  1.759156       1.826523  0.000000       0.000000  
1 1 1 7  0  19 o 79.28445 1.733700  58.86804       1.879779  70.17519       5.299399  57.24057       2.010514  0.000000       0.000000  
1 1 1 7  0  20 o 56.88316 1.855767  33.92980       1.362441  31.62281       3.837341  34.26257       1.457393  0.000000       0.000000  
1 1 1 7  0  21 o 10.71218 4.296483  1.445019       0.9079230 1.693223       3.453493  1.426590       0.9410253 0.000000       0.000000  
1 1 1 7  0  22 o 7.902354 3.702063  0.3134671      1.245659  -1.259775      3.094049  0.6177938      1.360816  0.000000       0.000000  
1 1 1 7  0  23 f 31.82768 3.246327  14.05847       1.127129  8.319439       2.713296  15.25537       1.239102  0.000000       0.000000  
1 1 1 7  0  24 o 44.78722 1.663143  20.52547       1.485273  20.52547       1.485273  20.52547       1.485273  0.000000       0.000000  
1 1 1 7  1  0  o 364.9460 4.378560  1332.913       31.91082  1367.876       46.29874  1301.273       44.04314  0.000000       0.000000  
1 1 1 7  1  1  o 145.7059 1.343226  211.6877       3.857601  216.1538       6.016533  208.5701       5.026835  2.597153       2.686451  
1 1 1 7  1  2  o 186.5853 1.829506  348.1361       6.824776  342.5967       9.500648  354.0424       9.810173  -3.064438      3.659011  
1 1 1 7  1  3  o 259.2618 2.541240  672.7030       13.17314  663.1814       18.36582  682.7921       18.90515  -3.773254      5.082480  
1 1 1 7  1  4  o 125.5600 1.251398  157.5110       3.139506  153.6768       4.327596  161.7709       4.561496  -3.221336      2.502797  
1 1 1 7  1  5  o 285.3775 2.968026  816.0993       15.98685  813.2172       27.60792  817.5533       19.60904  -0.8728638     5.936051  
1 1 1 7  1  6  o 214.3278 1.825106  459.2778       7.820152  467.8535       11.25770  451.2810       10.87115  3.863434       3.650212  
1 1 1 7  1  7  o 205.2038 2.022539  420.9654       8.296530  413.3041       11.51642  429.2315       11.96242  -3.878204      4.045077  
1 1 1 7  1  8  o 248.0466 2.736621  609.7889       13.13326  638.9232       21.72944  593.0210       16.48495  9.199570       5.473243  
1 1 1 7  1  9  o 395.6874 3.631313  1565.397       28.36458  1587.706       43.92787  1549.445       37.14663  4.715729       7.262626  
1 1 1 7  1  10 o 311.6092 2.730043  978.3204       16.63410  945.0407       26.22430  1000.724       21.51650  -9.039795      5.460087  
1 1 1 7  1  11 o 136.9214 1.306370  187.7392       3.543316  186.4189       5.386488  188.7463       4.704480  -0.8603058     2.612740  
1 1 1 7  1  12 o 120.9797 1.537944  0.000000       0.000000  ?              ?         146.4371       3.721199  ?              ?         
1 1 1 7  1  13 o 138.5071 1.280382  191.2416       3.415397  194.9900       5.678446  189.1169       4.275137  2.080139       2.560764  
1 1 1 7  1  14 o 124.6312 1.403825  154.7599       3.283353  157.8531       5.767849  153.2771       3.993551  1.771500       2.807649  
1 1 1 7  1  15 o 31.72335 1.388634  0.000000       0.000000  ?              ?         10.07292       0.8810426 ?              ?         
1 1 1 7  1  16 o 69.21716 0.8999645 47.32991       1.197877  50.24285       2.016904  45.74242       1.488925  3.226929       1.799929  
1 1 1 7  1  17 f 67.32060 0.9996837 45.40557       1.345585  44.18753       1.876433  46.69496       1.930614  -1.857574      1.999367  
1 1 1 7  1  18 o 41.27382 1.237766  17.75772       0.8877625 18.47003       1.038334  15.82200       1.711682  3.301327       2.475532  
1 1 1 7  1  19 o 26.35044 1.176702  6.984261       0.6193185 7.175727       0.9036952 6.814701       0.8504272 0.6733932      2.353405  
1 1 1 7  1  20 o 29.02078 1.059437  8.524092       0.6110535 9.581879       0.8620728 7.455995       0.8662628 3.663752       2.118873  
1 1 1 7  1  21 o 20.09931 1.624356  4.156338       0.6492060 4.205619       0.8759641 4.096282       0.9670039 0.3263531      3.248711  
1 1 1 7  1  22 o 36.97785 1.204795  13.56646       0.8410946 12.78903       1.019429  15.22408       1.488561  -2.988968      2.409590  
1 1 1 7  1  23 o 36.98887 1.116125  13.88912       0.8185560 15.33089       1.262138  12.84245       1.075385  3.200962       2.232251  
1 1 1 7  1  24 o 9.821601 2.461816  0.7738818      0.7119522 -0.3641304     0.9880137 2.003025       1.026812  -5.785126      4.923632  
1 1 1 7  2  0  o 60.26977 0.7949207 36.28201       0.9560269 37.81911       1.399377  34.93667       1.309178  0.000000       0.000000  
1 1 1 7  2  1  o 155.5344 1.432911  241.8787       4.408761  242.5638       6.756423  241.3707       5.818120  0.3780518      2.865822  
1 1 1 7  2  2  o 58.94025 0.6748583 34.69383       0.7415178 34.87388       1.314748  34.60984       0.8979661 0.2226334      1.349717  
1 1 1 7  2  3  o 87.96220 1.021947  76.30190       1.724997  73.68668       2.137879  81.18108       2.920136  -4.254807      2.043894  
1 1 1 7  2  4  o 143.5595 1.425400  206.1665       4.092579  206.8431       5.796006  205.4938       5.779591  0.4698029      2.850799  
1 1 1 7  2  5  o 292.3250 2.867777  853.8840       16.74097  828.2092       22.92806  883.2016       24.50072  -9.384583      5.735553  
1 1 1 7  2  6  o 230.6526 2.024616  533.2627       9.072482  527.9049       14.65502  536.5920       11.55236  -1.906769      4.049231  
1 1 1 7  2  7  o 251.6254 2.203011  637.1211       10.84280  615.0632       17.07560  652.0240       14.03558  -7.364029      4.406022  
1 1 1 7  2  8  o 342.6011 3.542894  1186.042       23.23173  1137.651       38.56638  1213.603       29.10489  -11.20920      7.085788  
1 1 1 7  2  9  o 127.9765 1.221672  163.6357       3.092199  165.0015       4.748849  162.6303       4.074302  0.9223862      2.443344  
1 1 1 7  2  10 o 104.7625 1.032066  109.8696       2.143440  109.0891       3.248147  110.4717       2.852758  -0.6632843     2.064132  
1 1 1 7  2  11 o 135.6875 1.295487  184.2712       3.479693  183.8163       5.311117  184.6133       4.605937  -0.3045349     2.590973  
1 1 1 7  2  12 f 45.37261 0.8552433 20.37106       0.6976877 21.10038       1.327465  20.09271       0.8200904 1.103775       1.710487  
1 1 1 7  2  13 o 53.78099 0.8197557 29.01065       0.8690350 28.48872       1.341944  29.38764       1.140487  -0.8394623     1.639511  
1 1 1 7  2  14 o 134.8359 1.311273  182.0838       3.504482  181.7099       5.321175  182.3702       4.657117  -0.2677155     2.622545  
1 1 1 7  2  15 o 122.0336 1.450064  148.9912       3.475894  150.4308       5.468066  148.0150       4.502689  0.9429016      2.900129  
1 1 1 7  2  16 o 126.9268 1.213811  162.7219       3.028752  154.0440       4.668718  169.0279       3.979880  -5.945389      2.427623  
1 1 1 7  2  17 o 74.45066 0.9300733 55.54297       1.371324  55.59179       2.091084  55.50613       1.816471  0.3500366E-01  1.860147  
1 1 1 7  2  18 o 34.56271 1.725960  11.92022       1.184895  10.85044       1.567584  13.34610       1.809778  -3.560482      3.451920  
1 1 1 7  2  19 o 74.12480 0.9458688 55.39310       1.372098  54.27453       2.165797  56.14307       1.773383  -1.329460      1.891738  
1 1 1 7  2  20 o 39.29478 0.9021656 15.47638       0.7078121 16.69328       1.033732  14.40228       0.9711876 2.901512       1.804331  
1 1 1 7  2  21 o 27.46071 1.170599  7.648412       0.6426442 7.953904       0.9152277 7.351306       0.9025766 1.091690       2.341198  
1 1 1 7  2  22 o 10.96918 2.627621  1.332108       0.7069609 1.671555       0.8435659 0.5311361      1.295810  2.453609       5.255242  
1 1 1 7  2  23 o 18.08652 1.852968  3.520475       0.6692722 3.746351       0.9501956 3.298084       0.9428352 1.228600       3.705935  
1 1 1 7  2  24 o 11.52344 2.470172  1.253860       0.7436016 -0.5869043E-01 0.9845218 2.997066       1.134597  -8.238155      4.940343  
1 1 1 7  3  0  o 515.9841 6.190288  2670.303       63.83507  2649.309       89.56286  2691.978       91.00732  0.000000       0.000000  
1 1 1 7  3  1  o 73.20953 0.8493822 54.02654       1.232276  49.66852       1.824319  57.68345       1.671142  -5.474525      1.698764  
1 1 1 7  3  2  o 271.7323 2.733689  736.0231       13.33584  746.4332       25.30259  732.0190       15.69233  2.517212       5.467378  
1 1 1 7  3  3  o 295.4690 2.708695  874.4689       15.84700  875.8835       20.99097  872.5943       24.16477  0.6143188      5.417390  
1 1 1 7  3  4  o 43.08287 0.8158481 18.41309       0.6967047 17.51186       0.9166707 19.64574       1.072054  -2.475708      1.631696  
1 1 1 7  3  5  f 267.8409 2.274592  717.6844       12.18210  726.7805       17.44157  709.0206       17.02228  3.310944       4.549184  
1 1 1 7  3  6  f 402.6511 3.532857  1619.041       27.45757  1639.990       45.33468  1606.904       34.50653  3.967712       7.065715  
1 1 1 7  3  7  o 448.2214 3.929448  2015.794       34.18343  1994.126       55.34650  2029.156       43.46425  -4.043976      7.858895  
1 1 1 7  3  8  o 304.1771 3.158253  931.5676       18.27796  908.8022       30.87813  943.8470       22.67786  -5.859100      6.316506  
1 1 1 7  3  9  o 120.3289 1.105018  144.7177       2.575399  145.2077       4.206910  144.4240       3.257046  0.3203583      2.210035  
1 1 1 7  3  10 o 41.89486 0.8174193 17.53285       0.6782042 17.70853       1.036525  17.40133       0.8968222 0.3656616      1.634839  
1 1 1 7  3  11 o 181.7144 1.696295  331.0671       6.118242  325.9929       9.199934  335.0908       8.192440  -2.523987      3.392589  
1 1 1 7  3  12 o 102.5108 1.035517  105.1618       2.103221  104.9419       3.198760  105.3292       2.791474  -0.1955948     2.071034  
1 1 1 7  3  13 o 127.2778 1.240812  161.6900       3.117343  165.0308       4.836299  159.3154       4.077391  2.223396       2.481624  
1 1 1 7  3  14 o 23.67967 1.370669  5.804036       0.6200590 4.892631       0.9927121 6.387078       0.7939947 -3.162584      2.741337  
1 1 1 7  3  15 o 13.74197 2.676965  1.958347       0.7500733 1.920936       1.183448  1.983465       0.9697205 -0.7225037E-01 5.353930  
1 1 1 7  3  16 o 76.53815 0.9100517 58.87426       1.362893  57.56702       2.151655  59.75016       1.761274  -1.444885      1.820103  
1 1 1 7  3  17 o 45.31674 0.9458025 20.51871       0.8406414 20.90710       1.331445  20.26125       1.084031  0.6916161      1.891605  
1 1 1 7  3  18 o 50.24523 1.179878  24.75691       1.140741  23.26344       1.412052  27.56293       1.935513  -4.203659      2.359756  
1 1 1 7  3  19 o 51.36622 0.9392046 26.06619       0.9305161 28.15983       1.560829  24.91178       1.159002  3.090145       1.878409  
1 1 1 7  3  20 o 41.37891 1.039062  17.06997       0.8314136 17.94838       1.377866  16.56702       1.042612  1.584229       2.078125  
1 1 1 7  3  21 o 46.95866 0.9464642 22.17898       0.8845873 23.06883       1.327970  21.46920       1.186021  1.652653       1.892928  
1 1 1 7  3  22 o 24.78895 1.296252  6.291885       0.6399111 7.137944       0.9295616 5.529786       0.8822342 3.209328       2.592504  
1 1 1 7  3  23 o 30.24667 1.289475  9.417863       0.7719465 9.040865       1.012893  9.940252       1.192315  -1.306280      2.578949  
1 1 1 7  3  24 o 37.30897 1.239089  14.47443       0.9200941 14.01692       1.234119  15.04698       1.380585  -1.198219      2.478178  
1 1 1 7  4  0  o 52.41875 1.102454  27.51415       1.152699  28.88309       1.664576  26.25284       1.597798  0.000000       0.000000  
1 1 1 7  4  1  o 472.0967 4.133034  2237.984       37.90557  2216.493       61.23631  2251.333       48.26355  -3.943481      8.266068  
1 1 1 7  4  2  o 184.4117 1.572095  340.2104       5.798180  339.4452       8.175566  340.9848       8.224381  -0.4170074     3.144190  
1 1 1 7  4  3  o 161.4109 1.593255  260.4912       5.140753  265.7831       7.414423  255.5922       7.133933  3.153763       3.186510  
1 1 1 7  4  4  o 382.9916 3.252211  1467.935       24.89292  1504.872       36.05278  1434.283       34.41230  9.184631       6.504421  
1 1 1 7  4  5  o 424.2094 3.885776  1806.561       32.72887  1834.336       43.91575  1771.860       49.08582  7.453339       7.771552  
1 1 1 7  4  6  o 295.7217 2.709772  877.5288       15.94967  848.5005       23.52009  902.2424       21.70194  -9.104218      5.419545  
1 1 1 7  4  7  o 295.2265 2.900466  870.8026       17.10486  899.2084       24.94804  845.6051       23.49698  9.065918       5.800932  
1 1 1 7  4  8  o 180.2667 1.995495  326.4308       7.103112  316.4065       10.86065  333.9236       9.389753  -4.870300      3.990990  
1 1 1 7  4  9  o 236.4943 2.090593  558.2582       9.535652  564.9330       15.77142  554.4122       11.97168  2.182800       4.181186  
1 1 1 7  4  10 o 171.3098 1.606675  293.8459       5.454948  292.2227       8.279182  295.0912       7.251487  -0.8514709     3.213350  
1 1 1 7  4  11 o 137.8486 1.317654  190.2850       3.603469  188.9664       5.443357  191.3137       4.807771  -0.8617706     2.635309  
1 1 1 7  4  12 o 140.1788 1.283617  196.4367       3.484625  197.5036       5.696954  195.7990       4.404689  0.5811615      2.567235  
1 1 1 7  4  13 o 47.67896 0.8207965 22.41523       0.7661470 24.29816       1.235816  21.23975       0.9764316 3.202202       1.641593  
1 1 1 7  4  14 o 165.9189 1.576691  276.4961       5.203851  268.6790       7.710680  283.0349       7.052058  -4.353989      3.153383  
1 1 1 7  4  15 o 23.76813 1.680901  5.763570       0.7826682 5.063221       1.188841  6.299318       1.039793  -2.608738      3.361801  
1 1 1 7  4  16 o 65.52456 0.9542721 43.02774       1.248888  42.30554       1.804876  43.69117       1.729899  -1.061279      1.908544  
1 1 1 7  4  17 o 85.94827 0.9900134 74.29861       1.696226  69.59766       2.445329  78.65822       2.354879  -5.279144      1.980027  
1 1 1 7  4  18 o 53.14348 0.9120767 28.22852       0.9483562 28.78537       1.513260  27.86837       1.216992  0.8293190      1.824153  
1 1 1 7  4  19 o 65.33832 0.9131452 42.94109       1.170360  42.60687       1.840577  43.16794       1.516403  -0.4867172     1.826290  
1 1 1 7  4  20 f 8.703806 2.341308  0.4757048      0.6282762 -0.7784767     1.122689  1.047571       0.7581000 -2.889555      4.682615  
1 1 1 7  4  21 o 17.33177 2.570544  3.380492       0.7602953 3.031263       1.542390  3.492585       0.8738352 -2.162859      5.141088  
1 1 1 7  4  22 o 30.70222 1.444139  9.822599       0.8507307 9.457168       1.401095  10.03600       1.070698  -1.213531      2.888279  
1 1 1 7  4  23 o 26.30164 1.301696  7.171252       0.6840448 7.061000       0.9435966 7.293369       0.9930693 -0.3914528     2.603392  
1 1 1 7  4  24 o 34.79905 1.154416  12.82541       0.7578661 13.40362       0.9427063 11.76890       1.274304  2.733761       2.308832  
1 1 1 7  5  0  o 325.5122 4.529572  1058.369       25.35871  1070.226       51.28721  1054.532       29.17447  0.000000       0.000000  
1 1 1 7  5  1  o 47.40727 0.7459874 22.47545       0.7073044 22.47545       0.7073044 ?              ?         ?              ?         
1 1 1 7  5  2  o 275.1484 2.336212  757.7272       12.85488  751.7554       18.03098  763.9000       18.33186  -2.202393      4.672424  
1 1 1 7  5  3  o 154.4067 1.529674  238.2472       4.719625  244.6943       6.851353  232.4252       6.510778  3.969482       3.059347  
1 1 1 7  5  4  o 251.2952 2.136201  631.7079       10.73322  623.0307       14.96356  640.9037       15.40416  -3.551041      4.272402  
1 1 1 7  5  5  o 44.56244 1.053610  19.85945       0.9390286 19.85945       0.9390286 ?              ?         ?              ?         
1 1 1 7  5  6  o 313.9569 2.667090  986.1412       16.74419  998.3046       23.94858  974.5090       23.41999  3.784790       5.334179  
1 1 1 7  5  7  o 275.0912 2.344382  756.6871       12.89274  743.7097       17.91683  770.6229       18.56671  -4.887085      4.688763  
1 1 1 7  5  8  o 67.02826 1.400189  0.000000       0.000000  ?              ?         44.93301       1.877044  ?              ?         
1 1 1 7  5  9  o 257.3686 2.679703  667.3204       13.12500  649.4019       22.14714  677.0201       16.29471  -5.452301      5.359406  
1 1 1 7  5  10 f 53.26913 0.7671723 28.46344       0.7947716 28.01985       1.278503  28.74284       1.014644  -0.6804008     1.534345  
1 1 1 7  5  11 o 135.2652 1.298987  183.3620       3.490918  180.5326       5.225647  185.6423       4.691279  -1.897690      2.597974  
1 1 1 7  5  12 f 76.40873 0.8358660 57.92752       1.227142  60.09291       2.059771  56.73605       1.527897  2.189224       1.671732  
1 1 1 7  5  13 o 40.05911 0.9014145 16.15589       0.7067366 15.55613       1.110201  16.56453       0.9164029 -1.262905      1.802829  
1 1 1 7  5  14 o 25.39205 1.332573  6.665954       0.6361843 5.803613       1.065547  7.143627       0.7930455 -2.648289      2.665145  
1 1 1 7  5  15 o 106.5334 1.207412  113.5971       2.352743  113.7963       4.312693  113.5126       2.807283  0.7201385E-01  2.414823  
1 1 1 7  5  16 o 76.94484 1.092136  58.78664       1.653897  56.48077       2.137012  62.23061       2.611673  -3.706429      2.184271  
1 1 1 7  5  17 o 42.78156 0.9873893 18.59818       0.8332458 16.19477       1.229678  20.63861       1.133022  -5.202503      1.974779  
1 1 1 7  5  18 o 69.57590 0.9062830 48.76520       1.241549  47.28235       1.917361  49.83588       1.629245  -1.868095      1.812566  
1 1 1 7  5  19 o 25.72056 1.361774  6.770856       0.6698985 6.380503       1.107168  6.996291       0.8413875 -1.268818      2.723547  
1 1 1 7  5  20 o 38.85718 1.037654  14.90431       0.7695481 16.25355       1.324733  14.21710       0.9454266 2.519485       2.075309  
1 1 1 7  5  21 o 54.41238 1.166428  30.09472       1.141819  29.89080       2.143259  30.17554       1.349232  -0.5995140     2.332856  
1 1 1 7  5  22 o 26.61787 1.582521  7.330837       0.7903908 7.524024       1.384952  7.237525       0.9625305 0.1510201      3.165041  
1 1 1 7  5  23 o 30.11806 1.266404  9.413823       0.7604407 10.20000       1.072258  8.618286       1.078622  2.632156       2.532808  
1 1 1 7  5  24 o 21.89546 1.600208  4.758596       0.6583084 4.048646       0.7849846 6.441415       1.208554  -4.730637      3.200415  
1 1 1 7  6  0  o 49.39764 0.9109901 24.68811       0.8618649 25.31904       1.083652  23.60197       1.421815  0.000000       0.000000  
1 1 1 7  6  1  o 219.1342 2.021054  477.8156       8.702165  466.4571       11.23634  494.8389       13.75585  -6.444336      4.042108  
1 1 1 7  6  2  o 129.9748 1.163241  169.5378       2.942719  171.4565       3.763298  166.5185       4.720903  1.907135       2.326482  
1 1 1 7  6  3  o 56.81717 0.5960938 32.28311       0.6773424 32.67372       0.9603974 31.89653       0.9554355 0.6839218      1.192188  
1 1 1 7  6  4  o 45.95744 0.6249445 20.52232       0.5633773 18.25022       0.7164416 24.20364       0.9119457 -6.476482      1.249889  
1 1 1 7  6  5  o 316.3115 2.900324  1003.096       18.20614  1014.759       24.35891  988.3355       27.40398  4.212921       5.800648  
1 1 1 7  6  6  o 77.88027 0.7509776 60.44063       1.165866  58.17137       1.574689  63.19363       1.734428  -3.223953      1.501955  
1 1 1 7  6  7  o 207.1508 1.917481  428.4233       7.844876  434.4578       12.12832  424.0825       10.28647  2.493210       3.834962  
1 1 1 7  6  8  o 362.5419 3.329580  1313.831       23.83666  1330.435       36.86010  1301.896       31.25045  3.856445       6.659160  
1 1 1 7  6  9  o 141.6707 2.031694  0.000000       0.000000  ?              ?         200.7776       5.756632  ?              ?         
1 1 1 7  6  10 o 154.0310 1.393002  238.0694       4.179767  234.2779       6.693255  240.4931       5.351504  -2.034637      2.786004  
1 1 1 7  6  11 o 179.0267 1.603305  320.7885       5.562092  320.9225       9.067990  320.7078       7.042490  0.1713562E-01  3.206610  
1 1 1 7  6  12 o 57.25103 0.7792271 32.63663       0.8630418 33.37245       1.420447  32.20604       1.086606  1.014164       1.558454  
1 1 1 7  6  13 f 111.8971 1.269290  126.9133       2.728752  119.5478       4.468316  131.2939       3.445957  -5.280716      2.538579  
1 1 1 7  6  14 o 58.51950 0.8935143 34.10379       1.036992  35.48368       1.585196  33.07154       1.371057  2.055618       1.787029  
1 1 1 7  6  15 o 135.6706 1.467035  183.0838       3.589223  187.6288       6.776339  181.3115       4.231556  2.201050       2.934070  
1 1 1 7  6  16 o 18.14785 1.834700  3.166144       0.6494308 4.022216       1.073443  2.671897       0.8156351 3.691471       3.669400  
1 1 1 7  6  17 o 44.23576 0.9487953 19.65593       0.8324432 19.29283       1.254785  19.94137       1.112518  -0.7459602     1.897591  
1 1 1 7  6  18 o 75.62503 1.070320  57.63136       1.492043  56.90996       2.687108  57.95291       1.794017  -0.8103714     2.140641  
1 1 1 7  6  19 o 34.40803 1.097087  11.89939       0.7403489 12.04655       1.170638  11.80130       0.9557624 0.3072166      2.194175  
1 1 1 7  6  20 o 9.222380 2.449492  0.2452608      0.7289235 -1.032716      1.041871  1.470576       1.020179  -5.290820      4.898983  
1 1 1 7  6  21 o 23.03344 1.393261  5.452129       0.6362315 4.722002       0.9110088 6.147296       0.8889315 -3.105165      2.786523  
1 1 1 7  6  22 o 27.84550 1.261472  7.974542       0.7001359 8.134736       0.9577794 7.790707       1.026023  0.6690502      2.522943  
1 1 1 7  6  23 o 20.35375 1.705701  4.460077       0.6855928 5.009137       0.9454395 3.851140       0.9956579 2.912298       3.411402  
1 1 1 7  6  24 o 14.37619 2.370176  2.555926       0.7007340 3.290353       0.9633125 1.730590       1.021194  5.398247       4.740351  
1 1 1 7  7  0  o 10.68590 2.010497  1.659671       0.4219856 2.352563       0.5378629 0.5503428      0.6805635 0.000000       0.000000  
1 1 1 7  7  1  o 101.8145 0.9757576 103.0531       1.953102  107.0151       3.083833  100.3994       2.523789  3.245224       1.951515  
1 1 1 7  7  2  o 187.6958 1.735243  352.4051       6.443997  351.8619       8.509192  353.1355       9.867251  -0.3235016     3.470485  
1 1 1 7  7  3  o 247.8886 2.176042  616.4387       10.48543  621.3171       13.36931  608.6422       16.90126  2.600708       4.352084  
1 1 1 7  7  4  o 208.3880 1.924060  433.6417       7.916711  429.3701       10.37408  439.5979       12.25020  -2.437164      3.848121  
1 1 1 7  7  5  o 267.3999 2.462247  712.8521       12.96650  700.7190       16.85435  730.4470       20.29646  -5.525757      4.924495  
1 1 1 7  7  6  o 500.1832 4.584198  2506.490       45.38578  2505.744       69.33366  2507.050       60.03603  -0.2610779     9.168397  
1 1 1 7  7  7  o 187.2139 1.612933  350.5612       6.039110  352.5903       8.578981  348.5681       8.502710  1.073792       3.225866  
1 1 1 7  7  8  o 271.6534 2.858777  730.1644       14.38340  716.5120       17.25519  761.2502       26.03736  -8.125397      5.717553  
1 1 1 7  7  9  o 170.7688 2.097600  0.000000       0.000000  ?              ?         291.7421       7.164093  ?              ?         
1 1 1 7  7  10 o 138.1771 1.271527  189.7068       3.379308  195.7297       5.651470  186.3548       4.216062  3.374908       2.543054  
1 1 1 7  7  11 o 148.0473 1.351431  219.0265       3.872078  220.5605       6.343338  218.1155       4.888489  0.7988434      2.702862  
1 1 1 7  7  12 o 57.04521 0.8075365 32.32318       0.8921048 33.45754       1.468612  31.65985       1.123049  1.570641       1.615073  
1 1 1 7  7  13 o 125.0871 1.345368  157.5804       3.090425  154.3630       5.593803  158.9939       3.707631  -1.913742      2.690737  
1 1 1 7  7  14 o 124.9762 1.242679  156.7081       3.093252  152.5400       4.552910  160.2815       4.215579  -3.109253      2.485358  
1 1 1 7  7  15 o 40.11901 1.099856  16.33965       0.8244517 15.47489       1.432920  16.76759       1.008014  -1.627312      2.199713  
1 1 1 7  7  16 o 31.80047 1.152669  10.29525       0.7067711 9.507318       1.140710  10.78619       0.9004294 -2.028141      2.305337  
1 1 1 7  7  17 o 33.01345 1.135884  11.14156       0.7344103 8.783089       1.059000  13.32677       1.019360  -6.885895      2.271768  
1 1 1 7  7  18 o 71.83099 1.074708  52.37943       1.431266  50.29536       2.532143  53.35789       1.735022  -2.240898      2.149417  
1 1 1 7  7  19 o 64.27809 0.9291142 41.62560       1.185140  40.76291       1.780842  42.31141       1.587802  -1.243015      1.858228  
1 1 1 7  7  20 o 46.34146 0.8757688 21.65351       0.8088379 23.73945       1.144094  19.56920       1.143645  4.499378       1.751538  
1 1 1 7  7  21 o 11.18605 2.660119  1.170448       0.6632947 0.9243776      0.7970564 1.724669       1.196192  -2.953861      5.320238  
1 1 1 7  7  22 o 19.48889 1.660857  3.936171       0.6419140 3.296119       0.8646670 4.722044       0.9581152 -3.564293      3.321715  
1 1 1 7  7  23 o 13.40030 2.691930  2.036481       0.7467005 2.908167       1.224427  1.520352       0.9421765 4.035952       5.383860  
1 1 1 7  7  24 o 10.93308 2.649352  1.496135       0.7123824 1.861235       1.001463  1.122156       1.013567  2.158492       5.298705  
1 1 1 7  8  0  o 142.1753 2.142977  202.4370       5.733303  202.6980       9.949945  202.3073       7.014944  0.000000       0.000000  
1 1 1 7  8  1  o 126.0828 1.189460  158.8791       2.966066  159.8939       4.553304  158.1310       3.909271  0.6940079      2.378919  
1 1 1 7  8  2  o 187.7078 1.974734  350.1512       6.921668  359.3421       12.29502  345.8868       8.374870  3.537109       3.949469  
1 1 1 7  8  3  o 380.6384 3.492682  1451.337       26.32148  1450.545       34.83802  1452.391       40.17910  -0.1452942     6.985364  
1 1 1 7  8  4  o 244.4715 2.406291  598.0576       11.76486  601.2041       16.73379  594.9822       16.54388  1.270538       4.812582  
1 1 1 7  8  5  o 446.1280 4.638894  1997.574       39.11099  2003.455       48.05126  1986.030       67.32309  2.275513       9.277788  
1 1 1 7  8  6  o 213.7504 1.891088  456.9604       7.823634  456.7570       9.887565  457.3009       12.79459  -0.1111145     3.782176  
1 1 1 7  8  7  o 101.3887 1.315346  102.7201       2.664814  100.7274       3.677521  104.9233       3.866836  -2.068329      2.630692  
1 1 1 7  8  8  o 421.5474 4.145781  1780.784       34.94939  1768.739       49.01928  1793.237       49.84281  -2.890106      8.291562  
1 1 1 7  8  9  o 167.1095 1.782659  280.7889       5.681229  274.9302       9.559183  283.9885       7.064206  -2.742722      3.565318  
1 1 1 7  8  10 o 206.9758 1.929702  428.7592       7.911020  429.4968       12.05851  428.2018       10.48213  0.2819824      3.859404  
1 1 1 7  8  11 o 153.9047 1.400964  237.6761       4.199011  234.2937       6.732157  239.8298       5.372023  -1.825516      2.801928  
1 1 1 7  8  12 o 196.9587 1.760143  389.3015       6.740992  385.3951       10.86330  391.7476       8.596189  -1.686996      3.520286  
1 1 1 7  8  13 o 75.17528 1.002041  56.93800       1.398267  55.51522       2.479621  57.60137       1.693143  -1.406960      2.004081  
1 1 1 7  8  14 o 43.89050 0.9698834 19.36163       0.8194855 18.97124       1.350294  19.58926       1.031081  -0.7131805     1.939767  
1 1 1 7  8  15 o 56.48063 1.062224  32.66962       1.170534  27.65114       1.774949  36.53195       1.557126  -7.870140      2.124449  
1 1 1 7  8  16 o 52.25036 0.8838726 27.24398       0.9063179 27.83303       1.433862  26.85205       1.169591  0.9235840      1.767745  
1 1 1 7  8  17 o 25.99948 1.145517  6.868558       0.5839059 8.453404       0.8277434 5.298754       0.8238059 6.066311       2.291034  
1 1 1 7  8  18 o 72.80064 0.9213635 53.28798       1.334252  51.93549       1.978970  54.41515       1.806619  -1.724091      1.842727  
1 1 1 7  8  19 o 48.25072 0.9648380 23.54461       0.9217508 22.38323       1.385903  24.46585       1.234328  -2.189484      1.929676  
1 1 1 7  8  20 o 48.72165 0.8642308 23.72303       0.8348739 22.74723       1.100976  25.04336       1.280675  -2.312042      1.728462  
1 1 1 7  8  21 o 40.07354 0.9823226 16.13932       0.7851588 17.30770       1.164032  15.16399       1.063526  2.638863       1.964645  
1 1 1 7  8  22 o 28.03422 1.475006  8.160931       0.8268268 8.362881       1.183992  7.968697       1.155160  0.6761799      2.950012  
1 1 1 7  8  23 o 10.80135 2.666178  1.344038       0.7408146 0.7392892      1.170568  1.748081       0.9568034 -2.549168      5.332356  
1 1 1 7  8  24 o 12.44600 2.596046  1.988922       0.7421037 2.853422       1.055676  1.144383       1.043417  5.150038       5.192092  
1 1 1 7  9  0  f 64.67183 0.9159276 41.70148       1.178554  40.09805       1.582874  43.69624       1.765494  0.000000       0.000000  
1 1 1 7  9  1  o 189.7748 1.986584  362.2280       7.163936  354.4388       12.14495  366.3844       8.871762  -3.185989      3.973169  
1 1 1 7  9  2  o 23.72162 0.8300412 5.757150       0.3836544 6.384603       0.5072766 4.918614       0.5864281 3.090336       1.660082  
1 1 1 7  9  3  o 253.3535 2.226453  644.1125       10.97455  650.2365       14.01905  634.4197       17.63734  3.159195       4.452906  
1 1 1 7  9  4  o 234.7592 2.316789  550.3882       10.86154  532.9981       14.87790  570.2333       15.89340  -7.920959      4.633579  
1 1 1 7  9  5  o 138.0633 1.391675  196.3011       3.699903  216.5145       4.790853  166.4288       5.824087  18.14342       2.783351  
1 1 1 7  9  6  f 173.5210 1.833500  303.5198       6.066463  309.1425       7.555983  293.3217       10.17597  4.572845       3.666999  
1 1 1 7  9  7  o 267.5194 3.731955  712.2250       17.14732  707.9527       19.69151  725.6283       34.87763  -3.091156      7.463910  
1 1 1 7  9  8  o 203.0084 1.801219  413.0362       7.099412  415.3731       9.029216  409.2519       11.48993  1.528900       3.602437  
1 1 1 7  9  9  o 50.24718 0.7864768 25.14461       0.7854663 24.34775       1.046800  26.17134       1.188226  -1.813736      1.572954  
1 1 1 7  9  10 o 295.4068 2.729946  872.4415       15.90174  861.7095       20.75539  887.6942       24.74355  -4.280090      5.459893  
1 1 1 7  9  11 o 41.24927 0.9504637 16.57723       0.7727560 21.07339       1.201086  13.40156       1.009418  9.296684       1.900927  
1 1 1 7  9  12 o 83.62636 1.075663  67.63274       1.639466  75.65627       3.102062  64.52297       1.931219  6.632301       2.151327  
1 1 1 7  9  13 o 83.26973 1.012294  69.36314       1.682755  68.97425       2.307575  69.80484       2.459207  -0.4948807     2.024587  
1 1 1 7  9  14 o 131.7621 1.291083  174.4301       3.381626  168.2469       5.017332  179.5769       4.577550  -4.316940      2.582166  
1 1 1 7  9  15 o 129.9897 1.368981  168.6665       3.548878  161.2304       4.803859  177.6009       5.265604  -6.272629      2.737961  
1 1 1 7  9  16 o 101.8775 1.066167  104.1452       2.151482  105.0225       2.858201  102.9982       3.268149  1.021904       2.132333  
1 1 1 7  9  17 o 39.32362 0.8818462 15.41493       0.6912653 14.50318       0.9324524 16.52743       1.030005  -2.564907      1.763692  
1 1 1 7  9  18 o 44.14162 0.8812827 19.49721       0.7767947 18.72879       1.062657  20.37900       1.138353  -1.859814      1.762565  
1 1 1 7  9  19 o 29.06233 1.414437  8.543661       0.8217503 8.183066       1.149921  8.919988       1.174737  -1.260384      2.828875  
1 1 1 7  9  20 o 29.73001 1.115718  8.918324       0.6541287 8.867764       0.8555543 8.989469       1.014870  -0.1535892     2.231436  
1 1 1 7  9  21 o 16.07648 2.092571  2.774728       0.6513135 2.961349       0.8764036 2.544507       0.9734074 1.656995       4.185141  
1 1 1 7  9  22 o 6.913642 2.242727  -0.6039934     0.7042778 -1.013593      0.9440652 -0.8998090E-01 1.057570  -1.786042      4.485453  
1 1 1 7  9  23 o 22.96854 1.621421  5.637724       0.7395490 6.474991       1.059885  4.843293       1.032416  3.511709       3.242842  
1 1 1 7  9  24 f 10.48324 2.802363  1.214752       0.8033596 0.6700219      1.019436  2.107349       1.304960  -3.560750      5.604726  
1 1 1 7  10 0  o 353.1025 5.240583  1236.624       34.32511  1289.914       61.82942  1212.883       41.26880  0.000000       0.000000  
1 1 1 7  10 1  o 237.9498 2.345075  566.1614       11.15251  553.8294       15.43000  579.6509       16.13786  -5.417068      4.690150  
1 1 1 7  10 2  o 170.0216 1.694480  289.1695       5.761724  287.3530       8.103406  291.0268       8.193964  -1.079666      3.388960  
1 1 1 7  10 3  o 148.3777 1.401597  218.6854       4.078620  227.8179       6.493702  212.7354       5.241487  5.074936       2.803194  
1 1 1 7  10 4  o 316.4979 2.773528  1008.616       17.16205  1032.780       22.19985  972.7238       27.05582  9.537872       5.547057  
1 1 1 7  10 5  o 185.5605 1.939034  349.4445       6.953199  365.5188       8.880937  323.9845       11.17692  11.20509       3.878068  
1 1 1 7  10 6  o 129.8888 1.495530  167.2044       3.761893  162.7888       4.729695  174.8082       6.206572  -4.619820      2.991060  
1 1 1 7  10 7  o 62.93056 0.7781658 39.55827       0.9660801 39.32206       1.264272  39.88975       1.497679  -0.4502831     1.556332  
1 1 1 7  10 8  o 70.10188 0.8973525 48.92444       1.254148  51.89267       1.866108  46.47942       1.693669  3.860153       1.794705  
1 1 1 7  10 9  o 249.2427 2.512297  628.5826       11.49338  638.6632       13.80954  605.8609       20.73281  6.724167       5.024593  
1 1 1 7  10 10 o 292.9998 2.505183  860.0370       14.67708  849.6382       20.49784  870.9780       21.02527  -3.626129      5.010365  
1 1 1 7  10 11 o 202.3679 1.751204  410.0640       7.087657  409.4322       9.994703  410.7031       10.05247  -0.3124847     3.502408  
1 1 1 7  10 12 o 125.4822 1.238177  158.0827       3.083683  161.8264       4.141815  153.4265       4.619093  3.359200       2.476355  
1 1 1 7  10 13 o 73.56814 0.8848581 54.39516       1.295373  57.32327       1.776760  51.07282       1.892590  4.250656       1.769716  
1 1 1 7  10 14 o 19.81918 1.745601  3.649587       0.6655622 5.186372       1.143772  2.862806       0.8183885 5.843636       3.491202  
1 1 1 7  10 15 o 10.65263 2.520116  1.053980       0.6399896 1.345990       0.9121627 0.7708640      0.8981636 1.845220       5.040232  
1 1 1 7  10 16 o 80.17674 0.9486467 64.28970       1.494479  63.85043       1.937130  64.93560       2.348925  -0.6508789     1.897293  
1 1 1 7  10 17 o 78.18623 0.8644145 61.16287       1.349928  59.35771       1.852627  63.20616       1.971045  -2.450317      1.728829  
1 1 1 7  10 18 o 30.88839 1.059738  9.481150       0.6486186 8.849014       0.8507550 10.35862       1.002344  -2.418249      2.119477  
1 1 1 7  10 19 o 38.46173 1.056840  14.85290       0.7809855 14.75318       0.9758130 15.03061       1.302637  -0.2885628     2.113679  
1 1 1 7  10 20 o 21.87502 1.626845  4.770967       0.6702392 4.552742       0.8122155 5.236732       1.186594  -1.390118      3.253689  
1 1 1 7  10 21 o 50.09328 0.9667675 25.29779       0.9673877 26.87233       1.408165  23.89054       1.331257  2.946396       1.933535  
1 1 1 7  10 22 o 11.98713 2.654021  1.681011       0.7104257 1.859002       0.9076780 1.399557       1.141396  1.401855       5.308042  
1 1 1 7  10 23 o 22.76204 1.634754  5.551655       0.7400757 6.238997       1.053676  4.882408       1.039714  2.958975       3.269508  
1 1 1 7  10 24 o 10.92063 2.844365  1.514092       0.8023442 1.367985       1.023441  1.747095       1.292432  -0.9517717     5.688731  
1 1 1 7  11 0  o 93.47177 1.758668  87.53144       3.281450  89.11620       4.715957  86.04400       4.568880  0.000000       0.000000  
1 1 1 7  11 1  o 75.77888 0.8563328 57.28350       1.295703  54.98895       1.771374  59.92397       1.900203  -3.255684      1.712666  
1 1 1 7  11 2  o 201.6213 1.730141  406.0924       6.969122  418.3496       10.14467  395.1382       9.590331  5.751999       3.460283  
1 1 1 7  11 3  o 225.2784 2.081312  508.0750       9.291579  510.1869       12.34701  505.3174       14.10914  1.095245       4.162623  
1 1 1 7  11 4  o 308.2275 2.836732  947.3516       17.22274  970.2095       26.93797  931.5482       22.39869  6.227753       5.673465  
1 1 1 7  11 5  o 255.1936 2.253305  651.1052       11.12929  649.8994       14.05985  653.1284       18.21235  -0.6053467     4.506611  
1 1 1 7  11 6  o 442.6245 4.600638  1964.702       38.44046  1967.608       47.15534  1958.947       66.36861  1.283752       9.201276  
1 1 1 7  11 7  o 178.3668 1.669838  318.2485       5.895935  318.1915       7.799960  318.3245       9.005618  -0.2841187E-01 3.339676  
1 1 1 7  11 8  o 223.2210 2.353395  496.9630       9.848026  493.6198       11.97425  503.9510       17.31183  -2.235641      4.706789  
1 1 1 7  11 9  f 117.0812 1.357072  136.8559       3.164064  119.9904       4.369747  155.4444       4.587517  -15.13811      2.714145  
1 1 1 7  11 10 o 50.54662 0.9219252 25.49118       0.9283998 26.27835       1.383597  24.84650       1.252135  1.414837       1.843850  
1 1 1 7  11 11 f 114.2788 1.068792  130.5907       2.441292  128.6925       3.383669  132.6515       3.525726  -1.729698      2.137584  
1 1 1 7  11 12 o 117.9498 1.170351  138.8545       2.723258  136.9357       3.557326  141.5709       4.232642  -1.947044      2.340702  
1 1 1 7  11 13 o 94.48406 1.014075  89.62801       1.905346  92.38085       2.584229  86.34908       2.820362  3.198135       2.028149  
1 1 1 7  11 14 o 48.76419 1.779104  0.000000       0.000000  ?              ?         23.81458       1.735132  ?              ?         
1 1 1 7  11 15 f 158.9064 1.414031  252.1454       4.479916  241.2350       6.053984  265.3514       6.660469  -7.550034      2.828062  
1 1 1 7  11 16 o 77.24364 0.9296502 59.89020       1.419651  60.58244       1.876862  58.96455       2.170343  1.066849       1.859300  
1 1 1 7  11 17 o 54.43739 0.7956039 29.65209       0.8655714 28.70793       1.196295  30.68943       1.253945  -1.815132      1.591208  
1 1 1 7  11 18 o 33.55228 1.045218  11.35614       0.6864585 11.50393       0.8874985 11.13605       1.083040  0.5843010      2.090436  
1 1 1 7  11 19 o 19.06165 1.607307  3.691817       0.6105249 3.293752       0.8533682 4.109191       0.8738202 -2.131916      3.214614  
1 1 1 7  11 20 o 11.99622 2.508678  1.582409       0.6258599 1.742102       0.7423802 1.190058       1.163648  1.474509       5.017355  
1 1 1 7  11 21 o 21.66026 1.528714  4.888950       0.6511040 5.601097       0.8934839 4.082531       0.9507856 3.539474       3.057428  
1 1 1 7  11 22 o 37.85023 1.094493  14.73780       0.8233665 16.00610       1.139865  13.35403       1.190625  3.540451       2.188986  
1 1 1 7  11 23 o 22.65871 1.655419  5.495557       0.7402061 6.683120       1.074730  4.423857       1.020958  4.904121       3.310838  
1 1 1 7  11 24 o 15.40137 2.556625  3.015126       0.7733092 2.966701       1.056347  3.071045       1.135149  -0.7606506E-01 5.113251  
1 1 1 7  12 0  o 147.9875 1.834172  219.2424       5.424821  220.1415       7.705781  218.3591       7.638376  0.000000       0.000000  
1 1 1 7  12 1  o 198.4559 1.844012  393.7392       7.236931  392.2340       9.537293  395.7821       11.11118  -0.8818359     3.688025  
1 1 1 7  12 2  o 345.4918 3.175753  1194.280       21.69701  1190.248       28.59538  1199.750       33.30975  -1.315979      6.351506  
1 1 1 7  12 3  o 304.2618 2.590458  926.2313       15.76158  935.5110       22.50627  917.2996       22.08032  2.988739       5.180916  
1 1 1 7  12 4  o 365.1342 3.102727  1334.318       22.65792  1329.951       31.94183  1338.740       32.14542  -1.201691      6.205454  
1 1 1 7  12 5  o 187.3932 1.678919  349.4100       6.050022  344.6782       7.553082  357.8808       10.10587  -3.509659      3.357837  
1 1 1 7  12 6  o 214.5554 2.257740  459.8190       9.111177  458.3121       11.12254  462.8926       15.88530  -1.026031      4.515479  
1 1 1 7  12 7  o 220.2055 2.237210  487.2907       8.957337  490.2178       10.65991  480.2593       16.52193  2.321198       4.474420  
1 1 1 7  12 8  o 53.03429 0.9142919 27.21501       0.9535846 33.88261       1.522878  22.91450       1.223039  10.33856       1.828584  
1 1 1 7  12 9  o 107.5001 1.037492  115.5570       2.161874  115.4338       2.737906  115.7610       3.523200  -0.1442642     2.074984  
1 1 1 7  12 10 o 200.2619 1.871442  399.7931       7.373564  391.9041       9.556989  411.3961       11.59028  -4.814865      3.742884  
1 1 1 7  12 11 o 211.2975 1.979525  446.5228       8.262905  452.4327       12.75945  442.2542       10.84387  2.342682       3.959050  
1 1 1 7  12 12 o 36.63578 1.020544  13.47227       0.7453431 12.75121       1.079346  14.12955       1.030499  -1.882362      2.041088  
1 1 1 7  12 13 o 45.79585 0.8898757 20.99097       0.8148286 21.40357       1.147285  20.57101       1.157466  0.9092331      1.779751  
1 1 1 7  12 14 f 78.58530 1.264533  0.000000       0.000000  ?              ?         61.80363       1.987474  ?              ?         
1 1 1 7  12 15 o 97.96956 0.9799829 96.09376       1.919640  95.43697       2.679578  96.78622       2.751409  -0.6850967     1.959966  
1 1 1 7  12 16 o 62.91033 0.9037843 39.68971       1.116752  39.85325       1.450271  39.45148       1.750372  0.3414726      1.807569  
1 1 1 7  12 17 o 36.78046 1.025463  13.63695       0.7505094 12.68853       1.092411  14.48477       1.032853  -2.448483      2.050927  
1 1 1 7  12 18 o 31.05691 1.214298  9.627894       0.6986334 9.479894       0.8392276 9.961996       1.260918  -0.6836052     2.428596  
1 1 1 7  12 19 o 52.48085 0.9054098 27.68729       0.9502370 27.40214       1.348612  27.96844       1.339115  -0.5414429     1.810820  
1 1 1 7  12 20 o 12.39055 2.170640  1.705890       0.5866252 2.415553       0.7718864 0.7355480      0.9025893 5.909658       4.341281  
1 1 1 7  12 21 o 38.28553 1.031460  14.89115       0.7856640 15.67076       1.076555  14.00279       1.149192  2.206730       2.062919  
1 1 1 7  12 22 o 15.83011 2.351835  3.083539       0.7200691 3.908779       0.9215058 1.789552       1.153912  6.856297       4.703669  
1 1 1 7  12 23 o 31.96766 1.309169  10.65922       0.8356289 11.50011       1.219140  9.914099       1.147616  2.391205       2.618337  
1 1 1 7  13 0  o 120.9751 1.535950  146.4719       3.712737  144.8011       5.185777  148.2290       5.317921  0.000000       0.000000  
1 1 1 7  13 1  o 244.1932 2.089223  596.4666       10.20205  603.2018       14.57699  590.0001       14.28324  2.700806       4.178446  
1 1 1 7  13 2  f 219.7554 2.038014  483.0823       8.863175  482.8217       11.71462  483.4312       13.55457  -0.1253510     4.076028  
1 1 1 7  13 3  o 383.8552 3.525235  1473.053       26.72985  1462.265       35.08874  1487.971       41.26014  -3.279694      7.050470  
1 1 1 7  13 4  o 370.1351 3.631776  1371.342       26.88233  1360.372       37.70217  1382.687       38.34058  -3.007568      7.263552  
1 1 1 7  13 5  o 38.99511 1.285192  14.96306       0.7893065 14.81365       0.8758672 15.60884       1.820932  -1.015625      2.570383  
1 1 1 7  13 6  o 59.25478 1.186081  35.11428       1.405619  35.11428       1.405619  ?              ?         ?              ?         
1 1 1 7  13 7  o 372.8957 3.667998  1393.137       27.35274  1406.396       39.02698  1380.335       38.34720  3.481049       7.335995  
1 1 1 7  13 8  o 171.6819 1.545467  296.6181       5.183114  303.2180       6.690985  286.7152       8.195930  4.825104       3.090933  
1 1 1 7  13 9  o 125.7686 1.180122  157.5778       2.858693  155.8059       3.578514  160.7027       4.752357  -1.931892      2.360244  
1 1 1 7  13 10 o 156.8445 1.648220  245.3840       4.637681  244.2686       5.455878  248.2890       8.804702  -1.204147      3.296440  
1 1 1 7  13 11 o 147.5025 1.521504  217.6753       4.486071  222.4778       6.475008  213.2419       6.221130  3.123566       3.043008  
1 1 1 7  13 12 o 213.1776 2.005492  452.3891       8.382507  439.3766       10.76424  472.4395       13.36176  -7.623367      4.010983  
1 1 1 7  13 13 o 141.6406 1.496250  200.8940       4.236759  198.2270       5.890589  203.7523       6.098166  -1.941696      2.992499  
1 1 1 7  13 14 o 47.99869 1.383571  23.94486       1.127967  21.44196       2.254505  24.78057       1.302739  -3.521023      2.767143  
1 1 1 7  13 15 o 70.22803 0.8666990 49.39064       1.216516  49.70143       1.692687  49.05863       1.749548  0.4604645      1.733398  
1 1 1 7  13 16 o 70.31499 0.8527209 49.51969       1.197231  49.27729       1.644963  49.79272       1.745815  -0.3586731     1.705442  
1 1 1 7  13 17 o 35.94116 1.120457  13.12330       0.7887275 12.15325       1.221412  13.81712       1.032976  -2.339588      2.240915  
1 1 1 7  13 18 o 10.97056 2.542426  1.114544       0.6986501 1.836847       0.9673049 0.3268065      1.010169  4.297377       5.084851  
1 1 1 7  13 19 o 41.47717 1.071500  17.32288       0.8702409 17.28301       1.121496  17.38322       1.379634  -0.5701065E-01 2.143001  
1 1 1 7  13 20 o 7.994918 2.330272  0.2446129      0.5962516 0.1507123      0.7802196 0.3764441      0.9244676 -1.078664      4.660544  
1 1 1 7  13 21 o 23.10048 1.507075  5.593741       0.6744277 6.052381       0.8763679 4.927600       1.056168  2.544336       3.014150  
1 1 1 7  13 22 o 36.98746 1.284871  13.43582       0.9265258 10.54590       1.172364  18.24378       1.512169  -10.09670      2.569742  
1 1 1 7  13 23 o 14.00768 2.886508  2.493472       0.8571402 2.181703       1.155994  2.874193       1.277444  -1.848465      5.773015  
1 1 1 7  14 0  o 27.30441 2.021817  7.606377       1.075004  8.515443       1.642360  6.924962       1.421925  0.000000       0.000000  
1 1 1 7  14 1  o 66.79152 0.8565313 44.23630       1.137362  41.35581       1.511509  47.99606       1.726862  -4.970261      1.713063  
1 1 1 7  14 2  o 515.0186 4.722492  2658.974       48.17918  2667.266       63.93011  2648.075       73.29781  2.000793       9.444983  
1 1 1 7  14 3  o 425.2083 3.609782  1809.873       30.69668  1799.513       43.15506  1820.482       43.67289  -2.460266      7.219564  
1 1 1 7  14 4  o 294.1306 2.706424  867.0112       15.79735  854.8898       23.78551  876.5778       21.13097  -3.709656      5.412848  
1 1 1 7  14 5  o 313.3234 3.467853  967.7858       20.87363  930.6259       25.88592  1036.868       35.29458  -16.82712      6.935706  
1 1 1 7  14 6  o 236.7659 2.193555  560.8259       10.27993  560.2094       13.59280  561.6495       15.71253  -0.2829590     4.387110  
1 1 1 7  14 7  o 232.8654 2.163268  543.4631       9.993882  548.6566       13.34895  536.8398       15.07488  2.561630       4.326537  
1 1 1 7  14 8  o 223.0839 1.986180  497.4170       8.559754  495.3071       10.77854  501.0198       14.08492  -1.222366      3.972359  
1 1 1 7  14 9  o 58.53551 0.8445525 34.25916       0.9678327 34.20799       1.246683  34.33678       1.535434  -0.1070976     1.689105  
1 1 1 7  14 10 o 136.5054 1.425848  185.1218       3.870502  198.9775       5.863913  174.4249       5.152303  8.977936       2.851696  
1 1 1 7  14 11 o 105.3044 1.081718  110.8326       2.254385  110.0726       2.975617  111.8565       3.453955  -0.8367996     2.163436  
1 1 1 7  14 12 o 98.56107 1.230567  99.12965       2.299937  103.5898       2.868614  91.10276       3.848316  6.364281       2.461134  
1 1 1 7  14 13 o 63.02861 0.9859135 39.78095       1.240213  43.12084       1.766342  36.53334       1.741768  5.225067       1.971827  
1 1 1 7  14 14 o 50.67059 1.147827  25.87029       1.111437  25.15856       1.858385  26.26661       1.386787  -1.112720      2.295654  
1 1 1 7  14 15 f 112.5885 1.181136  127.1478       2.622667  127.4878       3.437223  126.6741       4.057494  0.4078979      2.362271  
1 1 1 7  14 16 o 31.47778 1.222339  10.07641       0.7448496 10.49789       0.9528375 9.414165       1.194372  1.749548       2.444679  
1 1 1 7  14 17 o 72.99095 0.9167302 53.32930       1.329800  54.39572       2.005011  52.49179       1.776837  1.277397       1.833460  
1 1 1 7  14 18 o 20.70523 1.456629  4.164450       0.5893600 3.553232       0.7429218 5.202167       0.9680196 -3.916616      2.913258  
1 1 1 7  14 19 o 25.10443 1.482855  6.489101       0.6992554 6.675627       0.8605883 6.126684       1.199580  1.214750       2.965710  
1 1 1 7  14 20 o 9.421387 2.467829  0.7802413      0.6208686 0.9339204      0.8243378 0.5787828      0.9438230 0.7234907      4.935658  
1 1 1 7  14 21 o 45.86723 1.148035  21.44098       1.052989  21.71177       1.483314  21.16588       1.495058  0.6019592      2.296071  
1 1 1 7  14 22 o 22.18040 1.959452  5.412091       0.8506029 4.755123       1.284396  5.925329       1.135235  -2.859476      3.918903  
1 1 1 7  14 23 o 31.47424 1.685606  11.23055       0.9964823 8.113730       1.530403  13.52452       1.312938  -8.940105      3.371213  
1 1 1 7  15 0  f 324.5417 3.917742  1054.720       25.41018  1044.231       35.62211  1065.586       36.25715  0.000000       0.000000  
1 1 1 7  15 1  o 219.5904 1.887591  482.1769       8.287690  475.5688       11.55946  489.1668       11.88860  -3.094376      3.775182  
1 1 1 7  15 2  o 663.2097 6.079802  4410.036       79.76067  4398.578       105.2384  4425.499       122.2637  -1.725281      12.15960  
1 1 1 7  15 3  o 217.9471 1.875930  475.1445       8.176860  473.4463       11.51506  476.8719       11.61321  -0.7852783     3.751860  
1 1 1 7  15 4  o 380.4745 4.190998  1439.975       30.94993  1408.849       39.09066  1492.266       50.66708  -10.78497      8.381996  
1 1 1 7  15 5  o 73.64853 0.9242314 54.22745       1.360849  54.90846       1.956337  53.58901       1.894228  0.8955231      1.848463  
1 1 1 7  15 6  o 161.6386 1.734104  261.4907       5.297159  261.0612       9.129624  261.7087       6.503872  -0.2234192     3.468209  
1 1 1 7  15 7  o 272.7825 2.416178  743.1418       12.71396  737.8757       15.96549  752.2700       21.02007  -2.544617      4.832355  
1 1 1 7  15 8  o 157.2005 1.436150  248.4896       4.406636  253.0867       5.674309  241.5041       6.994648  3.702515       2.872301  
1 1 1 7  15 9  o 61.55431 0.8775674 38.02518       1.075559  39.49308       1.471278  36.34024       1.576288  2.562244       1.755135  
1 1 1 7  15 10 o 168.2441 1.534136  281.6232       4.958523  277.2138       6.179686  289.5939       8.308536  -3.626160      3.068273  
1 1 1 7  15 11 o 25.82586 1.326595  6.739289       0.6725839 7.037654       0.8825605 6.325957       1.038772  1.382431       2.653190  
1 1 1 7  15 12 o 87.39163 1.074694  79.90657       1.773553  89.53658       2.257199  64.36836       2.867193  14.41578       2.149387  
1 1 1 7  15 13 o 138.5040 1.556257  191.2769       4.064471  195.1768       7.072970  189.3541       4.966360  1.998535       3.112513  
1 1 1 7  15 14 o 41.51393 1.226480  17.19454       0.9833840 17.52392       1.623621  17.00371       1.235852  0.6080589      2.452960  
1 1 1 7  15 15 f 39.55008 1.021200  15.78468       0.8011983 16.83690       1.090182  14.54892       1.181444  2.898567       2.042400  
1 1 1 7  15 16 o 25.36375 1.466015  6.339316       0.7118608 6.033207       0.8773695 6.929052       1.217794  -1.715347      2.932029  
1 1 1 7  15 17 o 36.67136 1.123845  13.29282       0.7773029 12.87541       0.9454886 14.16324       1.365324  -1.694267      2.247689  
1 1 1 7  15 18 o 30.61421 1.114221  9.413020       0.6749298 9.242147       0.8881119 9.646617       1.038402  -0.6245708     2.228442  
1 1 1 7  15 19 o 43.28941 0.9413654 18.73375       0.8035323 18.10733       1.044206  19.64324       1.258215  -1.719433      1.882731  
1 1 1 7  15 20 o 16.61474 1.960100  3.004459       0.6148272 3.469018       0.8187572 2.403781       0.9310138 3.546368       3.920201  
1 1 1 7  15 21 o 28.38515 1.421793  8.027159       0.7784184 7.268563       0.9623606 9.462686       1.323849  -3.564167      2.843586  
1 1 1 7  15 22 o 11.91489 2.638062  1.697709       0.7139231 1.992887       0.9288186 1.271530       1.116051  2.219917       5.276124  
1 1 1 7  15 23 o 11.98172 2.710988  1.736136       0.7430739 1.331050       1.003600  2.227665       1.105507  -2.662441      5.421977  
1 1 1 7  16 0  o 355.0665 4.277818  1262.759       30.35770  1268.516       43.12093  1257.101       42.74606  0.000000       0.000000  
1 1 1 7  16 1  o 467.5809 3.968232  2189.278       37.10914  2184.443       52.36550  2194.155       52.59576  -1.035767      7.936464  
1 1 1 7  16 2  o 104.2901 0.9889005 108.7588       2.062459  109.8469       2.941297  107.7062       2.892822  1.026184       1.977801  
1 1 1 7  16 3  o 371.3514 3.871361  1380.734       27.09624  1379.918       33.16917  1382.370       46.97969  -0.1386414     7.742721  
1 1 1 7  16 4  o 145.6512 1.401248  211.5284       4.023678  216.0663       6.270878  208.3526       5.245983  2.642029       2.802496  
1 1 1 7  16 5  o 179.7978 1.569279  323.1895       5.640669  317.2518       7.839917  329.5619       8.121772  -3.421234      3.138559  
1 1 1 7  16 6  o 120.0824 1.102573  144.1993       2.647535  142.6725       3.703042  145.7958       3.786719  -1.299866      2.205146  
1 1 1 7  16 7  o 220.7861 1.904599  487.8929       8.410147  488.7732       11.91418  487.0187       11.87342  0.3966522      3.809198  
1 1 1 7  16 8  o 253.0432 2.350579  642.0424       11.79459  646.3032       15.71705  636.5497       17.84501  1.982574       4.701159  
1 1 1 7  16 9  o 90.13338 0.9506759 81.12719       1.654388  80.72630       2.081066  81.81562       2.727104  -0.5955505     1.901352  
1 1 1 7  16 10 o 36.49728 1.214762  13.14030       0.8431647 12.73697       1.034628  13.93783       1.454889  -1.635967      2.429524  
1 1 1 7  16 11 o 88.96147 1.070314  82.20802       1.798856  89.93487       2.269633  69.15392       2.950041  11.69729       2.140628  
1 1 1 7  16 12 o 108.0063 1.325157  117.5960       2.839283  124.6680       3.854028  109.2021       4.198795  7.171814       2.650314  
1 1 1 7  16 13 o 77.43005 0.9944019 59.68209       1.527010  62.44828       2.336689  57.62029       2.017366  3.107094       1.988804  
1 1 1 7  16 14 o 84.90606 1.244952  71.95477       2.090959  74.04975       3.223695  70.43330       2.747246  2.103516       2.489904  
1 1 1 7  16 15 o 49.10255 0.9632589 24.27399       0.9396741 25.41602       1.276599  22.92356       1.388205  2.545338       1.926518  
1 1 1 7  16 16 o 28.33172 1.318767  8.064944       0.7468237 7.972583       1.036173  8.164796       1.077368  -0.3335037     2.637534  
1 1 1 7  16 17 o 7.180970 2.234953  -0.2992853     0.6156487 -0.5445656     0.7925602 0.7388368E-01  0.9775830 -1.993023      4.469906  
1 1 1 7  16 18 o 17.14698 2.161985  2.672973       0.6810549 1.985127       0.8063077 4.385553       1.272274  -7.005625      4.323970  
1 1 1 7  16 19 o 32.79304 1.110260  10.68505       0.7190024 9.820224       0.9319799 11.95654       1.130053  -3.193981      2.220520  
1 1 1 7  16 20 o 54.66021 0.9039618 30.15594       0.9866593 30.71699       1.365436  29.54290       1.427315  1.094208       1.807924  
1 1 1 7  16 21 o 24.35234 1.596754  6.416217       0.7455136 7.411845       0.9826300 5.065805       1.144392  4.970072       3.193508  
1 1 1 7  16 22 o 37.87703 1.279283  15.34128       0.9338685 17.31662       1.226284  12.61400       1.440902  6.425320       2.558566  
1 1 1 7  16 23 o 9.364168 2.761617  0.7485954      0.8618678 1.080949       1.012553  -0.1254672     1.642060  0.9362841      5.523234  
1 1 1 7  17 0  o 580.5016 6.978891  3380.720       80.97169  3392.850       114.8774  3368.745       114.1486  0.000000       0.000000  
1 1 1 7  17 1  o 487.3876 4.469646  2383.776       43.22964  2409.585       57.81781  2351.055       65.09990  6.119812       8.939293  
1 1 1 7  17 2  o 119.1203 1.342885  143.6658       3.070856  148.4724       3.872526  135.5227       5.040460  5.441429       2.685770  
1 1 1 7  17 3  o 308.1834 2.630944  950.5226       16.21589  953.9446       23.02663  947.1561       22.83995  1.099304       5.261888  
1 1 1 7  17 4  o 198.1151 1.855808  393.2152       7.294555  388.2497       10.99872  397.1144       9.746533  -2.247833      3.711615  
1 1 1 7  17 5  o 53.71942 1.073530  28.27670       1.131816  31.82870       1.821402  26.04242       1.444574  5.383389       2.147060  
1 1 1 7  17 6  f 134.7071 1.214983  181.4855       3.272764  179.8126       4.577871  183.2343       4.680613  -1.269073      2.429965  
1 1 1 7  17 7  o 264.1896 2.621008  698.1843       13.83231  678.4697       19.00916  720.3708       20.16570  -7.901031      5.242016  
1 1 1 7  17 8  o 91.77626 0.9719178 84.12897       1.721765  83.77041       2.165434  84.74533       2.839036  -0.5229721     1.943836  
1 1 1 7  17 9  o 66.20894 0.8689730 44.03346       1.113265  44.58873       1.411145  43.11827       1.811632  1.115700       1.737946  
1 1 1 7  17 10 f 169.7617 1.840603  286.7301       5.818707  283.3169       7.024187  294.1943       10.38750  -3.084961      3.681206  
1 1 1 7  17 11 o 52.42034 1.005596  27.52518       1.002449  27.58444       1.239503  27.41313       1.704406  0.1750298      2.011193  
1 1 1 7  17 12 o 32.95522 1.240556  10.87149       0.7350538 10.86839       0.8668766 10.87942       1.386626  0.1129150E-02  2.481113  
1 1 1 7  17 13 o 53.66939 0.9541020 28.85889       1.018994  29.13316       1.377512  28.52742       1.514335  0.5687981      1.908204  
1 1 1 7  17 14 o 88.51252 1.032243  78.38229       1.825195  73.20360       2.539708  83.91393       2.624828  -6.045609      2.064485  
1 1 1 7  17 15 f 32.92690 1.245581  11.05118       0.8051234 12.03382       1.072882  9.784468       1.218132  3.430218       2.491161  
1 1 1 7  17 16 o 62.93424 0.9863930 39.65984       1.236926  39.01420       1.672295  40.43975       1.837973  -1.115112      1.972786  
1 1 1 7  17 17 o 9.123823 2.526739  0.5002753      0.6890473 0.4799524E-01  1.046291  0.8466582      0.9156449 -1.515124      5.053478  
1 1 1 7  17 18 o 28.30892 1.341493  8.107111       0.7557284 8.166282       1.021304  8.035502       1.123515  0.2601376      2.682986  
1 1 1 7  17 19 o 41.50795 1.020032  17.39341       0.8454668 17.79438       1.171995  16.95831       1.220841  1.021339       2.040064  
1 1 1 7  17 20 o 14.93972 2.246908  2.270479       0.6663246 1.430104       0.8586273 3.542819       1.056501  -6.921756      4.493815  
1 1 1 7  17 21 o 13.11149 2.611135  1.985300       0.7052560 1.880181       0.9175556 2.137062       1.102480  -0.6943722     5.222270  
1 1 1 7  17 22 o 12.80197 2.681271  2.043150       0.7421081 2.263966       0.9485468 1.694717       1.191524  1.971110       5.362541  
1 1 1 7  17 23 o 11.11889 2.834130  1.566214       0.7907954 1.344576       1.006812  1.923150       1.277677  -1.460407      5.668261  
1 1 1 7  18 0  o 92.54678 1.606308  85.62785       2.789654  85.26776       3.402268  86.36659       4.873184  0.000000       0.000000  
1 1 1 7  18 1  f 317.2402 2.925888  1005.632       18.33047  1018.610       28.34053  996.2973       24.03475  3.464752       5.851775  
1 1 1 7  18 2  o 241.5619 2.247432  582.1921       10.70709  593.8879       16.65983  573.9615       13.97561  4.098495       4.494864  
1 1 1 7  18 3  o 214.5480 2.270292  461.7886       9.219651  456.9675       15.80316  464.2761       11.35172  -1.748749      4.540585  
1 1 1 7  18 4  o 111.6478 1.683147  127.5220       3.375197  118.2436       6.252678  131.3372       4.009533  -5.883148      3.366294  
1 1 1 7  18 5  o 248.8802 2.309742  620.3491       11.38875  618.1662       17.32017  622.0116       15.11613  -0.8091736     4.619484  
1 1 1 7  18 6  f 299.8549 2.566582  900.1801       15.38652  915.5884       22.12088  885.7383       21.41588  4.961548       5.133164  
1 1 1 7  18 7  o 131.7076 1.197837  173.5358       3.155192  174.9970       4.482529  172.1010       4.441978  1.098862       2.395675  
1 1 1 7  18 8  f 128.6897 1.121590  165.9872       2.880498  171.3070       3.985865  160.1716       4.167480  4.329330       2.243180  
1 1 1 7  18 9  o 76.05458 1.059850  58.92326       1.455720  60.38858       1.733080  55.41238       2.682633  3.287941       2.119699  
1 1 1 7  18 10 o 118.6338 1.422693  140.3410       3.308597  143.7870       5.255571  138.0786       4.258348  2.374634       2.845385  
1 1 1 7  18 11 o 110.0929 1.145100  121.5601       2.501549  123.3372       3.348376  119.3152       3.763315  1.838600       2.290200  
1 1 1 7  18 12 o 66.97266 1.047767  44.72081       1.312164  44.40543       1.591637  45.38995       2.318348  -0.7119064     2.095533  
1 1 1 7  18 13 o 52.34512 1.069202  26.86391       0.9827557 26.26913       1.136974  28.62114       1.954287  -2.215717      2.138404  
1 1 1 7  18 14 o 69.72086 0.9976081 48.36292       1.385322  42.83719       1.880059  54.92711       2.049123  -8.659798      1.995216  
1 1 1 7  18 15 o 97.21059 1.082331  95.10510       2.092905  98.26430       2.844910  91.37844       3.089870  3.566353       2.164663  
1 1 1 7  18 16 f 68.96239 0.9081504 47.61318       1.246800  46.91962       1.678840  48.46615       1.861803  -1.101593      1.816301  
1 1 1 7  18 17 o 25.69210 1.621360  6.537777       0.7765179 6.282327       0.9330445 7.113397       1.400610  -1.480099      3.242721  
1 1 1 7  18 18 o 42.69956 0.9990895 18.20175       0.8457147 17.31373       1.113364  19.41305       1.300325  -2.416317      1.998179  
1 1 1 7  18 19 o 29.45704 1.214406  8.734843       0.7058558 8.509471       0.9203979 9.056678       1.099870  -0.8665695     2.428813  
1 1 1 7  18 20 o 10.78330 2.698419  1.109120       0.7747703 1.657871       1.002728  0.2961808      1.220463  3.053491       5.396839  
1 1 1 7  18 21 o 13.76029 2.975749  2.192760       0.8951506 1.704063       1.170252  2.881945       1.389719  -3.212399      5.951498  
1 1 1 7  18 22 o 11.01664 2.735189  1.386559       0.7712513 1.913167       1.088159  0.8549767      1.093287  2.855741       5.470377  
1 1 1 7  18 23 o 6.938901 2.255090  -0.3105816     0.7162308 -0.3176703     0.9581082 -0.3016025     1.078321  -0.4048553     4.510181  
1 1 1 7  19 0  o 173.9503 3.062634  302.9586       10.64754  302.9586       10.64754  302.9586       10.64754  0.000000       0.000000  
1 1 1 7  19 1  o 100.7200 0.9903852 101.4508       1.994944  102.2083       2.837607  100.7104       2.805226  0.7434235      1.980770  
1 1 1 7  19 2  o 153.7660 1.477454  236.7632       4.505611  234.5134       6.811065  238.5139       6.008018  -1.306473      2.954908  
1 1 1 7  19 3  o 328.1386 4.477039  1061.146       22.91987  1110.571       53.53714  1050.054       25.36153  8.568787       8.954079  
1 1 1 7  19 4  o 229.2125 2.136937  524.9125       9.673749  531.7756       14.95245  519.9717       12.68659  2.541199       4.273875  
1 1 1 7  19 5  o 264.2277 2.270564  699.0116       11.99874  698.2880       16.91988  699.7439       17.01812  -0.2736206     4.541128  
1 1 1 7  19 6  o 154.4296 1.373448  238.6100       4.242002  239.5425       6.008372  237.6832       5.989862  0.6017456      2.746896  
1 1 1 7  19 7  o 195.1257 1.838418  380.0269       7.069683  374.4798       9.210454  387.9818       11.02978  -3.417664      3.676836  
1 1 1 7  19 8  o 84.10281 0.9646839 70.27895       1.587894  68.50611       2.033092  73.05185       2.542663  -2.695168      1.929368  
1 1 1 7  19 9  o 81.24834 1.020815  65.98528       1.656408  64.91810       2.274443  67.19051       2.417088  -1.395706      2.041630  
1 1 1 7  19 10 o 121.6818 1.386117  150.6780       3.269748  159.2172       4.210318  137.7019       5.190163  8.874374       2.772234  
1 1 1 7  19 11 o 94.74829 1.052156  90.16863       1.979250  92.78667       2.666002  86.95371       2.954315  3.086128       2.104312  
1 1 1 7  19 12 o 39.22501 1.255041  15.79904       0.8628082 16.24578       1.010013  14.59273       1.659709  2.132748       2.510081  
1 1 1 7  19 13 o 102.9183 1.227698  104.5468       2.223104  102.8768       2.578524  109.3829       4.387990  -3.073555      2.455397  
1 1 1 7  19 14 o 117.1971 1.156086  137.5168       2.704477  135.0648       3.696358  140.3416       3.967430  -2.230804      2.312171  
1 1 1 7  19 15 o 73.65570 1.052244  54.32605       1.546528  53.09082       2.106957  55.76893       2.277192  -1.800072      2.104489  
1 1 1 7  19 16 o 72.89333 1.173217  50.14488       1.479127  47.20724       1.685334  59.99421       3.085953  -8.561066      2.346435  
1 1 1 7  19 17 o 9.736959 2.435015  0.4852894      0.6610230 -0.3434790     0.8592771 1.686765       1.034604  -5.814044      4.870030  
1 1 1 7  19 18 o 11.30939 2.675182  1.283983       0.7115931 1.277730       0.9852061 1.290803       1.028905  -0.1053467     5.350364  
1 1 1 7  19 19 o 27.41349 1.350089  7.572822       0.7342126 7.113646       0.9676164 8.195980       1.127231  -1.901814      2.700178  
1 1 1 7  19 20 o 17.08516 2.177037  3.265446       0.6988072 3.829401       0.9165695 2.482551       1.079927  4.342440       4.354073  
1 1 1 7  19 21 o 30.43671 1.426828  9.501301       0.8323469 9.189432       1.031897  10.08210       1.408197  -1.101391      2.853655  
1 1 1 7  19 22 o 9.645094 2.732042  0.8276983      0.7650113 0.6720144      0.9427086 1.127948       1.309171  -1.640017      5.464084  
1 1 1 7  20 0  f 35.32160 1.738778  12.94509       1.170624  11.48382       1.862840  13.89872       1.504882  0.000000       0.000000  
1 1 1 7  20 1  o 497.6071 5.175734  2500.038       48.96349  2442.052       82.85432  2531.156       60.69590  -9.574097      10.35147  
1 1 1 7  20 2  o 129.4709 1.464458  166.3109       3.535075  171.4813       6.305006  163.9403       4.269238  2.894226       2.928916  
1 1 1 7  20 3  o 380.3936 3.244494  1450.097       24.68359  1447.128       34.84752  1453.087       34.96854  -0.7803955     6.488988  
1 1 1 7  20 4  o 307.4412 2.631280  946.7172       16.17892  944.1768       22.79258  949.2973       22.96934  -0.8289185     5.262559  
1 1 1 7  20 5  f 129.7809 1.285602  168.3781       3.299794  167.6552       4.349414  169.3586       5.065161  -0.6475067     2.571204  
1 1 1 7  20 6  o 76.72652 1.135208  56.87657       1.646286  53.10063       1.992924  64.98901       2.921153  -7.735039      2.270416  
1 1 1 7  20 7  o 152.9722 1.475479  234.3557       4.473213  233.1049       6.789859  235.3148       5.945961  -0.7398529     2.950958  
1 1 1 7  20 8  o 53.26822 0.8994554 28.33207       0.9514513 28.82793       1.439296  27.94719       1.268028  0.8241386      1.798911  
1 1 1 7  20 9  o 19.74699 1.788629  4.026166       0.6797592 4.455414       0.8807800 3.393896       1.068968  2.694643       3.577257  
1 1 1 7  20 10 o 11.82165 2.465024  1.026395       0.6864109 0.1261242      0.8617974 2.588521       1.135211  -7.833577      4.930048  
1 1 1 7  20 11 o 119.6184 1.397217  142.5582       3.120489  141.2306       3.777950  145.4084       5.535650  -1.677177      2.794434  
1 1 1 7  20 12 o 84.67517 0.9732884 72.03799       1.588517  72.80744       2.001528  70.72849       2.611097  1.247627       1.946577  
1 1 1 7  20 13 o 77.27793 1.081710  60.81186       1.498836  62.12613       1.774701  57.54237       2.799122  3.016937       2.163419  
1 1 1 7  20 14 o 90.62154 1.068136  82.05722       1.910787  80.78141       2.499279  83.85205       2.964380  -1.659294      2.136273  
1 1 1 7  20 15 o 100.4102 1.049011  100.5075       2.093458  95.76473       2.783142  106.6877       3.176992  -5.395729      2.098022  
1 1 1 7  20 16 o 49.22203 1.161903  24.10768       1.137383  22.02781       1.513813  26.80369       1.723517  -4.817375      2.323805  
1 1 1 7  20 17 o 34.66042 1.214864  12.14770       0.8402569 11.39482       1.200570  12.87058       1.176404  -2.135212      2.429729  
1 1 1 7  20 18 o 49.98325 0.9569408 25.25826       0.9505071 26.17919       1.288237  24.15782       1.408199  2.053089       1.913882  
1 1 1 7  20 19 o 38.65186 1.225016  15.24201       0.8983868 15.38531       1.111097  14.97143       1.526788  0.7242661      2.450032  
1 1 1 7  20 20 o 14.02454 2.522486  1.851270       0.7326708 0.8838537      0.8944301 3.824362       1.277360  -8.787683      5.044972  
1 1 1 7  20 21 o 9.252186 2.628244  0.6659567      0.7298080 0.5430863      0.9403368 0.8520795      1.157335  -1.203351      5.256489  
1 1 1 7  20 22 o 22.48484 1.867962  5.550916       0.8367915 6.178336       1.201946  4.960776       1.165691  2.639910       3.735924  
1 1 1 7  21 0  o 112.8893 1.521712  127.2863       3.426714  132.7838       5.033248  122.5366       4.678397  0.000000       0.000000  
1 1 1 7  21 1  o 159.5981 1.738640  254.0057       5.213408  257.4078       9.123998  252.3566       6.352584  1.547546       3.477280  
1 1 1 7  21 2  o 141.7727 1.382973  201.1382       3.882152  201.4919       5.142004  200.6693       5.920274  0.2985382      2.765946  
1 1 1 7  21 3  o 353.0399 3.251359  1252.759       22.82974  1283.075       30.92224  1216.435       33.84801  9.518585       6.502718  
1 1 1 7  21 4  o 110.1820 1.145577  121.7004       2.504833  119.3005       3.765505  123.6053       3.354715  -1.957947      2.291153  
1 1 1 7  21 5  o 114.6989 1.174259  131.9427       2.675293  128.6615       3.998155  134.6029       3.599968  -2.595192      2.348517  
1 1 1 7  21 6  o 238.9847 2.063135  571.8366       9.858285  580.9099       14.14998  563.2784       13.74239  3.677551       4.126270  
1 1 1 7  21 7  o 185.2546 1.624504  343.5026       6.018036  348.0655       8.602201  339.1287       8.422229  2.407608       3.249007  
1 1 1 7  21 8  o 161.2910 1.555046  259.6407       4.935970  255.8784       6.408978  265.1259       7.738514  -2.828125      3.110093  
1 1 1 7  21 9  o 170.9273 1.628257  292.9550       5.514381  294.5923       7.326972  290.8158       8.374634  1.146622       3.256514  
1 1 1 7  21 10 o 131.9261 1.503829  175.3376       3.762668  177.5611       4.651603  171.1290       6.399637  2.504333       3.007658  
1 1 1 7  21 11 o 198.8545 1.813133  394.7169       6.932989  389.8911       8.658670  403.3377       11.57298  -3.216736      3.626265  
1 1 1 7  21 12 o 116.9052 1.163834  137.3156       2.636333  138.7390       3.346859  134.9883       4.279387  1.643036       2.327667  
1 1 1 7  21 13 o 103.3572 1.218345  106.9913       2.516835  109.7785       3.640667  104.4399       3.483235  2.571220       2.436690  
1 1 1 7  21 14 o 60.75042 0.9380392 35.92710       1.065920  34.13559       1.281273  39.95398       1.920954  -4.736549      1.876078  
1 1 1 7  21 15 o 36.32253 1.363244  13.09437       0.9405177 12.72910       1.153437  13.81909       1.624688  -1.431698      2.726489  
1 1 1 7  21 16 o 20.57271 1.754345  4.290824       0.7172762 4.239107       0.9594415 4.356354       1.079988  -0.2476158     3.508690  
1 1 1 7  21 17 o 37.40952 1.186266  14.09501       0.8837534 12.38717       1.225092  15.94803       1.276100  -4.746582      2.372533  
1 1 1 7  21 18 o 17.07310 2.113927  2.993853       0.6954968 2.295278       0.9156666 3.946444       1.069261  -4.993910      4.227854  
1 1 1 7  21 19 o 27.81944 1.378381  7.753366       0.7596806 8.944427       1.176724  6.902190       0.9947570 3.579552       2.756763  
1 1 1 7  21 20 f 11.94776 2.817462  1.605736       0.8010792 1.257520       1.171546  1.911513       1.097837  -1.802448      5.634925  
1 1 1 7  21 21 o 21.27648 1.995921  4.922928       0.7941615 4.920987       0.9697956 4.926878       1.383696  0.6212940      3.991841  
1 1 1 7  21 22 o 12.38679 2.733366  1.846279       0.8407644 2.953821       1.178960  0.7001099      1.199343  6.014223       5.466732  
1 1 1 7  22 0  o 333.7160 4.938112  1125.998       31.35736  1144.006       38.99497  1093.043       52.75090  0.000000       0.000000  
1 1 1 7  22 1  o 64.91931 0.9269828 42.02570       1.188240  41.37051       1.555079  42.94491       1.841961  -1.210289      1.853966  
1 1 1 7  22 2  o 286.5497 2.459034  822.2155       14.09048  813.8223       19.71714  830.9756       20.14359  -2.983582      4.918068  
1 1 1 7  22 3  o 178.4388 1.571339  318.5987       5.607400  316.6614       7.877207  320.5889       7.983993  -1.098907      3.142677  
1 1 1 7  22 4  o 131.4670 1.209558  172.7965       3.178685  169.4342       4.410119  176.4318       4.585699  -2.658966      2.419117  
1 1 1 7  22 5  o 135.2351 1.237108  182.9743       3.345754  181.8864       4.697398  184.0944       4.766583  -0.8152161     2.474217  
1 1 1 7  22 6  o 217.5309 1.889726  473.8344       8.220763  478.7084       11.72075  469.1151       11.53335  2.199829       3.779453  
1 1 1 7  22 7  o 42.83978 1.057944  18.77553       0.8797916 20.45306       1.147643  16.38448       1.370143  4.752625       2.115889  
1 1 1 7  22 8  o 124.5488 1.401610  156.7857       3.346138  160.6948       4.201693  150.0078       5.532650  4.329185       2.803219  
1 1 1 7  22 9  o 105.5842 1.182830  111.5243       2.496697  113.7866       3.595260  109.4170       3.469807  2.065498       2.365660  
1 1 1 7  22 10 o 29.72283 1.373292  8.676017       0.8017513 8.003704       1.025374  9.733724       1.286115  -2.900343      2.746583  
1 1 1 7  22 11 o 79.96254 0.9825680 64.04978       1.512214  64.18869       1.897468  63.80796       2.503555  0.2576981      1.965136  
1 1 1 7  22 12 o 99.22926 1.120628  98.91831       2.206751  101.3019       2.963117  95.94984       3.306714  2.712593       2.241256  
1 1 1 7  22 13 o 99.67257 1.057719  99.89352       2.042779  100.9588       2.593626  98.15301       3.315298  1.456833       2.115437  
1 1 1 7  22 14 f 66.26592 0.9480566 44.40453       1.232065  46.16088       1.610989  41.92972       1.912307  3.220154       1.896113  
1 1 1 7  22 15 f 37.48462 1.199064  13.60015       0.8645657 12.35713       1.064694  16.00661       1.481404  -4.805748      2.398127  
1 1 1 7  22 16 o 37.61060 1.197289  14.24094       0.8998768 13.45083       1.256463  15.07302       1.289413  -2.149361      2.394578  
1 1 1 7  22 17 o 31.64726 1.249965  10.10428       0.7868086 10.02242       1.056820  10.20607       1.178535  -0.2563152     2.499930  
1 1 1 7  22 18 o 14.27073 2.714150  2.289801       0.7707303 2.480982       0.9351552 1.884915       1.360903  1.823650       5.428299  
1 1 1 7  22 19 o 15.03771 2.573051  2.496851       0.7542565 2.403148       0.9727000 2.638161       1.194504  -0.5418100     5.146102  
1 1 1 7  22 20 o 13.13821 2.741235  1.993966       0.7607157 1.783565       0.9906010 2.296389       1.187635  -1.481908      5.482470  
1 1 1 7  22 21 o 21.65892 1.884093  5.103017       0.8154289 5.209420       1.182400  5.006514       1.126045  0.3745708      3.768186  
1 1 1 7  22 22 o 10.30328 2.686964  1.114156       0.7913876 0.2399708      1.087865  2.096820       1.153389  -4.459661      5.373928  
1 1 1 7  23 0  o 246.3490 3.010779  608.1877       14.82409  607.1743       20.92920  609.2081       20.99983  0.000000       0.000000  
1 1 1 7  23 1  o 70.35082 0.8605278 49.49741       1.210684  48.65301       1.703137  50.35998       1.721340  -1.213028      1.721056  
1 1 1 7  23 2  o 104.3780 1.026416  108.8452       2.140980  112.3108       3.104931  105.7038       2.956151  3.163292       2.052832  
1 1 1 7  23 3  o 158.8284 1.535598  252.2330       4.819788  250.9933       6.337787  253.9335       7.422410  -0.9061737     3.071196  
1 1 1 7  23 4  o 246.6350 2.298810  610.5255       11.24956  618.0787       15.04536  600.9485       16.94144  3.529984       4.597619  
1 1 1 7  23 5  o 203.8787 1.919472  416.6442       7.754585  418.9116       10.30626  413.6856       11.77275  1.322418       3.838943  
1 1 1 7  23 6  o 102.9389 1.095999  106.0929       2.232446  106.5059       2.952965  105.5419       3.410554  0.4764938      2.191998  
1 1 1 7  23 7  o 212.4138 2.255200  457.1236       9.171525  469.3028       11.50657  435.9059       15.18744  8.020187       4.510401  
1 1 1 7  23 8  o 47.90609 1.017348  23.41811       0.9472207 25.22748       1.232915  20.81170       1.479761  4.614971       2.034697  
1 1 1 7  23 9  o 67.83287 0.8509703 46.03541       1.154413  46.71384       1.637726  45.36543       1.627494  0.9937057      1.701941  
1 1 1 7  23 10 o 42.34713 0.9587181 17.93936       0.8109630 18.09633       1.179026  17.79843       1.117218  0.3499222      1.917436  
1 1 1 7  23 11 o 157.8943 1.479764  248.6882       4.488678  245.7430       5.599580  253.9832       7.508063  -2.511642      2.959529  
1 1 1 7  23 12 o 67.99633 0.9998390 46.31876       1.326085  46.38163       1.697862  46.22042       2.123468  0.1398926      1.999678  
1 1 1 7  23 13 o 20.02034 2.157470  4.798102       0.7136310 5.866317       0.8735431 2.654719       1.237386  8.321209       4.314939  
1 1 1 7  23 14 o 8.261574 2.413265  -0.3973854E-01 0.6287758 -0.4199010     0.7627174 0.7666866      1.110864  -3.992511      4.826530  
1 1 1 7  23 15 o 51.26330 1.087292  26.15365       1.067317  25.57813       1.322999  27.22639       1.806236  -1.538746      2.174585  
1 1 1 7  23 16 o 30.75897 1.578652  9.613437       0.9573553 9.513321       1.479176  9.685606       1.255875  -0.3528385     3.157304  
1 1 1 7  23 17 o 58.08473 0.9587923 34.00949       1.107833  34.55574       1.498143  33.35038       1.645648  1.071739       1.917585  
1 1 1 7  23 18 o 8.630360 2.520798  0.3032520      0.7041245 0.2542987      0.9517720 0.3624374      1.046523  -0.5596361     5.041595  
1 1 1 7  23 19 o 29.52344 1.411070  8.845548       0.8240575 8.525447       1.079858  9.291874       1.275116  -1.192696      2.822140  
1 1 1 7  23 20 o 29.02884 1.522637  8.679429       0.8470678 8.398938       1.050314  9.201318       1.432679  -0.9976349     3.045274  
1 1 1 7  23 21 o 7.650453 2.418213  -0.1450915     0.7627801 -0.4199316     1.057733  0.1527138      1.101038  -1.053250      4.836426  
1 1 1 7  23 22 f 11.69164 2.863471  1.819014       0.8173071 2.111224       1.211283  1.574782       1.107386  1.386153       5.726942  
1 1 1 7  24 0  o 80.88192 1.274673  65.53104       2.059321  65.37489       2.883850  65.69352       2.941649  0.000000       0.000000  
1 1 1 7  24 1  o 140.6514 1.386230  197.8737       3.857167  197.3863       5.090425  198.5310       5.910747  -0.3932037     2.772460  
1 1 1 7  24 2  o 34.84026 1.086970  12.14800       0.7571256 12.44758       1.066303  11.84338       1.075227  0.8672180      2.173940  
1 1 1 7  24 3  o 162.6756 1.451542  264.6477       4.719833  259.2899       6.540838  270.4683       6.817457  -3.430298      2.903084  
1 1 1 7  24 4  o 151.5500 1.364705  229.8059       4.135752  227.4715       5.786698  232.2433       5.913020  -1.571823      2.729409  
1 1 1 7  24 5  o 181.2815 1.598469  328.5988       5.789623  320.2968       7.975191  337.8490       8.418294  -4.829697      3.196938  
1 1 1 7  24 6  o 260.1761 2.756467  680.3818       13.52522  681.8504       16.58040  677.4609       23.38285  1.191498       5.512934  
1 1 1 7  24 7  o 213.0695 1.857896  454.2458       7.907373  469.8721       11.53679  440.4008       10.85935  6.886627       3.715791  
1 1 1 7  24 8  o 155.1218 1.503327  241.4803       4.634979  236.6284       6.914995  245.4383       6.245686  -2.864868      3.006654  
1 1 1 7  24 9  o 68.87440 1.030607  47.09303       1.410432  44.33062       1.870876  50.73023       2.146767  -4.637947      2.061213  
1 1 1 7  24 10 f 64.52236 1.056893  41.41238       1.282026  42.44094       2.246921  40.91591       1.561069  1.158138       2.113787  
1 1 1 7  24 11 o 68.82191 0.9721175 47.95668       1.291286  49.61110       1.640843  45.26523       2.092853  3.174118       1.944235  
1 1 1 7  24 12 o 85.07642 1.005986  72.96833       1.651425  74.30285       2.088219  70.74023       2.698244  2.132164       2.011973  
1 1 1 7  24 13 o 85.88784 1.298177  73.92543       2.229952  73.92543       2.229952  ?              ?         ?              ?         
1 1 1 7  24 14 o 35.65567 1.197385  12.12213       0.7541111 11.45167       0.8693622 14.15990       1.515622  -3.715630      2.394770  
1 1 1 7  24 15 o 60.04973 1.099793  36.13302       1.204055  35.94471       1.432069  36.58719       2.224058  -0.3930855     2.199586  
1 1 1 7  24 16 o 26.33540 1.535058  7.178958       0.7891989 7.936287       1.047000  6.182516       1.200966  3.379038       3.070117  
1 1 1 7  24 17 o 41.65933 1.237806  17.53239       0.9766573 17.46337       1.201213  17.66700       1.677582  -0.8188629E-01 2.475611  
1 1 1 7  24 18 o 24.13183 1.769247  6.166547       0.8309217 7.134717       1.120914  4.985565       1.237992  4.529018       3.538494  
1 1 1 7  24 19 o 23.88050 1.948198  6.004737       0.9292976 6.345894       1.355608  5.702277       1.276415  1.267696       3.896396  
1 1 1 7  24 20 o 23.37224 1.700937  5.846919       0.7859544 6.497337       1.081250  5.118236       1.144456  3.028540       3.401874  
1 1 1 7  24 21 o 14.76614 2.575984  2.657521       0.7539591 2.547219       1.014296  2.793727       1.127126  -0.5325212     5.151968  
1 1 1 7  25 0  o 13.89160 3.578427  2.605385       1.008161  3.657310       1.428664  1.561983       1.422864  0.000000       0.000000  
1 1 1 7  25 1  o 153.4998 1.492703  236.1042       4.542335  237.9406       6.049304  233.7302       6.877818  1.388840       2.985405  
1 1 1 7  25 2  o 39.30297 1.022155  15.45241       0.8031135 15.40724       1.118341  15.50051       1.154048  -0.1181221     2.044311  
1 1 1 7  25 3  o 68.37931 0.8759431 46.64141       1.196247  43.93786       1.642437  49.69590       1.745785  -4.209000      1.751886  
1 1 1 7  25 4  o 85.04959 0.9345260 72.32504       1.589069  70.94812       2.211931  73.79366       2.284386  -1.671753      1.869052  
1 1 1 7  25 5  o 75.68753 1.117266  57.97413       1.576534  59.16868       1.920758  55.50785       2.759878  2.435555       2.234533  
1 1 1 7  25 6  o 45.58221 0.9063995 20.75836       0.8257127 21.63148       1.195261  19.96129       1.142025  1.831005       1.812799  
1 1 1 7  25 7  o 54.81229 0.9626840 30.12169       1.044703  29.64482       1.587962  30.48558       1.387177  -0.7717972     1.925368  
1 1 1 7  25 8  o 94.47762 1.051543  89.36671       1.974165  89.03657       2.961940  89.63062       2.648125  -0.3230209     2.103086  
1 1 1 7  25 9  o 101.2085 1.101810  102.8787       2.217589  99.01089       3.280896  106.1320       3.009004  -3.527290      2.203621  
1 1 1 7  25 10 o 29.55068 1.282909  8.850288       0.7490798 7.558422       1.086426  10.02098       1.034219  -4.168974      2.565819  
1 1 1 7  25 11 o 75.46478 0.9764743 56.61728       1.405388  55.70348       1.735769  58.35643       2.394617  -1.727585      1.952949  
1 1 1 7  25 12 o 28.29376 1.777447  8.172083       0.8209152 8.262415       0.9272101 7.844477       1.765769  0.8315773      3.554894  
1 1 1 7  25 13 o 30.04423 1.296928  8.824592       0.7369426 8.354482       0.8949444 9.814774       1.298834  -2.378164      2.593857  
1 1 1 7  25 14 o 85.19921 1.126531  72.85137       1.918708  75.23490       2.764154  70.63500       2.665462  2.685516       2.253063  
1 1 1 7  25 15 o 58.04283 0.9782926 33.92772       1.104706  34.16883       1.410476  33.54512       1.776766  0.6023064      1.956585  
1 1 1 7  25 16 o 22.81834 1.919484  5.340527       0.8357142 5.379568       1.039906  5.269332       1.404302  0.3914986      3.838969  
1 1 1 7  25 17 o 41.60001 1.130702  17.49775       0.9262156 17.55983       1.209910  17.40987       1.439549  0.2543068      2.261405  
1 1 1 7  25 18 o 29.38790 1.665825  9.057572       0.9069083 9.373013       1.105491  8.408357       1.585956  1.929575       3.331649  
1 1 1 7  25 19 o 19.76610 2.727092  4.822196       0.9350958 5.302850       1.108369  3.635208       1.741772  5.371834       5.454183  
1 1 1 7  25 20 o 23.76911 1.789830  6.057764       0.8484176 5.562335       1.199591  6.553608       1.200097  -2.084507      3.579660  
1 1 1 7  25 21 o 18.17054 2.312242  3.906642       0.8041685 4.619870       1.101659  3.093127       1.176565  4.644478       4.624485  
1 1 1 7  26 0  o 25.57863 2.152983  6.805214       1.067457  5.787156       1.527930  7.775876       1.491938  0.000000       0.000000  
1 1 1 7  26 1  o 117.6145 1.126304  138.1261       2.645773  143.6575       3.866975  133.2578       3.627839  4.416908       2.252607  
1 1 1 7  26 2  o 38.04210 1.059073  14.49257       0.8047976 14.79605       1.118083  14.16628       1.159349  0.8284454      2.118146  
1 1 1 7  26 3  o 203.0541 1.777792  412.9245       7.219327  415.8355       10.27795  410.0895       10.14274  1.410675       3.555584  
1 1 1 7  26 4  o 176.6325 1.925371  311.6402       6.369857  309.8524       7.741212  315.3890       11.20944  -1.441940      3.850743  
1 1 1 7  26 5  o 128.5553 1.200382  165.3004       3.084638  162.2136       4.278491  168.6417       4.451315  -2.495575      2.400763  
1 1 1 7  26 6  o 131.7793 1.223324  173.8438       3.224157  173.9113       4.552806  173.7760       4.566519  0.5175781E-01  2.446648  
1 1 1 7  26 7  o 220.8134 2.073766  490.1602       9.102651  478.9115       13.55829  499.3913       12.28228  -4.704758      4.147532  
1 1 1 7  26 8  o 78.24866 0.9923605 61.42744       1.541426  59.99456       2.311491  62.57492       2.068503  -1.655800      1.984721  
1 1 1 7  26 9  o 69.65900 0.8899114 48.46375       1.238528  46.35794       1.705513  50.81329       1.801512  -3.195114      1.779823  
1 1 1 7  26 10 o 73.17667 0.9617599 53.56830       1.398824  53.90826       2.101627  53.29791       1.874303  0.4085617      1.923520  
1 1 1 7  26 11 o 60.37885 1.205401  36.50202       1.455615  36.50202       1.455615  ?              ?         ?              ?         
1 1 1 7  26 12 o 99.58948 1.117362  99.76584       2.192874  101.2524       2.877724  97.70734       3.386377  1.826942       2.234724  
1 1 1 7  26 13 o 70.92664 1.118744  50.49707       1.485018  50.50367       1.806178  50.48330       2.608886  0.1074524      2.237487  
1 1 1 7  26 14 o 34.05011 1.158113  11.59727       0.7495860 11.47419       0.9237053 11.83464       1.282761  -0.4736519     2.316226  
1 1 1 7  26 15 o 23.08873 1.579391  5.263941       0.6834568 5.009941       0.8237312 5.825132       1.224401  -1.634842      3.158782  
1 1 1 7  26 16 o 35.05682 1.227411  12.40532       0.8552681 12.33760       1.146279  12.49037       1.284562  -0.1777382     2.454822  
1 1 1 7  26 17 f 10.07764 2.686424  0.8405108      0.7453002 1.089884       0.9543955 0.4507518      1.193169  1.000730       5.372848  
1 1 1 7  26 18 o 9.065287 2.825398  -0.3928212     0.9658983 -0.9239801     1.200022  0.5844148      1.627709  -3.564122      5.650796  
1 1 1 7  26 19 o 23.30942 1.822527  5.864757       0.8343313 6.518057       1.127822  5.075056       1.239982  3.232042       3.645054  
1 1 1 7  26 20 o 7.867079 2.471856  -0.1174300     0.7842091 -0.4648207     1.063582  0.2964220      1.160872  -1.525670      4.943711  
1 1 1 7  26 21 o 17.63120 2.826168  3.668818       0.9420813 5.494673       1.637528  2.765532       1.151777  5.961195       5.652336  
1 1 1 7  27 0  o 26.11375 1.940732  6.950092       0.9837182 5.840980       1.311257  8.377920       1.487778  0.000000       0.000000  
1 1 1 7  27 1  o 84.14482 1.001289  70.98756       1.670892  72.02505       2.232158  69.66534       2.519919  1.407440       2.002577  
1 1 1 7  27 2  o 120.8485 1.332302  146.1535       3.219726  144.4426       4.509660  147.9323       4.598398  -1.441574      2.664605  
1 1 1 7  27 3  o 31.35626 1.381053  10.16530       0.8380507 11.86428       1.120623  8.009337       1.262362  6.150827       2.762106  
1 1 1 7  27 4  o 18.44429 1.986244  3.522130       0.6945221 2.591468       0.9800593 4.460978       0.9843601 -5.316216      3.972489  
1 1 1 7  27 5  o 103.6661 1.126023  107.6581       2.314754  106.8320       3.502852  108.2986       3.084100  -0.7192307     2.252045  
1 1 1 7  27 6  o 10.74056 2.761804  0.8043123      0.7544871 1.459845       1.260339  0.4381803      0.9419087 3.533783       5.523608  
1 1 1 7  27 7  o 96.34708 1.002823  92.89658       1.932316  93.97603       2.742621  91.83258       2.722900  1.111801       2.005647  
1 1 1 7  27 8  o 129.3889 1.212131  167.5589       3.135790  170.8883       4.502563  164.4229       4.369770  2.493256       2.424263  
1 1 1 7  27 9  o 47.10941 0.9303617 22.17589       0.8758134 23.42673       1.266649  21.03008       1.212311  2.541916       1.860723  
1 1 1 7  27 10 o 30.65381 1.343190  9.373938       0.8209077 8.865401       1.108694  9.991061       1.221342  -1.828749      2.686381  
1 1 1 7  27 11 o 29.75056 1.198622  8.775099       0.6969745 11.70136       1.045801  6.436822       0.9348469 8.839235       2.397244  
1 1 1 7  27 12 o 23.38881 1.706797  5.332848       0.7718135 4.857041       0.9577714 6.214098       1.303455  -2.843613      3.413594  
1 1 1 7  27 13 o 35.49797 1.210850  12.41335       0.8418087 11.52311       1.070681  13.85459       1.362314  -3.243015      2.421700  
1 1 1 7  27 14 o 36.04729 1.143623  12.89481       0.7948657 12.41004       0.9909603 13.76942       1.331060  -1.815998      2.287246  
1 1 1 7  27 15 o 54.36702 1.176947  30.34836       1.163896  31.16810       1.394024  28.46191       2.114736  2.662502       2.353893  
1 1 1 7  27 16 f 37.56391 1.229195  13.97994       0.9042422 12.91227       1.149372  15.71411       1.464831  -3.621834      2.458390  
1 1 1 7  27 17 o 38.46169 1.207998  14.96411       0.9262964 14.31938       1.251585  15.74498       1.377396  -1.795902      2.415995  
1 1 1 7  27 18 o 32.59321 2.132871  11.28257       1.256251  11.38528       1.495259  11.03609       2.316335  1.272711       4.265742  
1 1 1 7  27 19 o 13.72943 2.777012  2.228361       0.8000170 2.151965       1.095927  2.315515       1.170546  -0.4412136     5.554023  
1 1 1 7  27 20 o 12.00917 2.842554  1.737248       0.8041381 1.422909       1.076805  2.133572       1.209104  -1.988379      5.685109  
1 1 1 7  27 21 o 20.27350 2.283893  4.949412       0.8943034 4.645436       1.324339  5.204222       1.212518  -1.998556      4.567786  
1 1 1 7  28 0  o 141.2176 2.266088  199.0727       5.975793  197.3490       7.245890  202.7383       10.56636  0.000000       0.000000  
1 1 1 7  28 1  o 78.43021 1.077034  61.53984       1.689173  60.66345       2.363232  62.45529       2.415321  -1.141113      2.154068  
1 1 1 7  28 2  f 36.00955 1.515074  12.95433       1.049551  13.10173       1.746014  12.87093       1.313312  0.3056641      3.030149  
1 1 1 7  28 3  o 43.17552 1.080261  18.52759       0.9274696 19.81717       1.404714  17.53094       1.234911  2.643051       2.160521  
1 1 1 7  28 4  o 98.66373 1.083006  97.69466       2.130900  92.55711       3.078434  102.4208       2.952598  -5.002060      2.166011  
1 1 1 7  28 5  o 66.70874 0.9406983 44.64898       1.248510  43.24245       1.846321  45.83401       1.694722  -1.946053      1.881397  
1 1 1 7  28 6  o 122.2344 1.160762  149.4943       2.836896  152.7198       4.071717  146.4514       3.954792  2.560349       2.321524  
1 1 1 7  28 7  o 28.34861 1.314058  8.079124       0.7422219 7.489973       1.068922  8.627645       1.031404  -2.008121      2.628116  
1 1 1 7  28 8  o 56.30420 0.9847361 31.82730       1.101346  32.62634       1.484439  30.84891       1.642622  1.583748       1.969472  
1 1 1 7  28 9  o 17.84540 1.977808  3.191270       0.7047356 3.067679       0.9635271 3.333444       1.033434  -0.7389069     3.955617  
1 1 1 7  28 10 f 49.65592 0.9282436 24.67852       0.9215213 23.83412       1.285407  25.57143       1.321812  -1.747208      1.856487  
1 1 1 7  28 11 o 42.39032 1.117909  18.02114       0.9474510 18.05942       1.358301  17.98487       1.322223  0.8459091E-01  2.235818  
1 1 1 7  28 12 f 56.01852 1.161636  30.21866       1.197308  28.39112       1.416611  34.78893       2.240205  -5.610508      2.323272  
1 1 1 7  28 13 o 36.15482 1.168028  13.31591       0.7956554 13.69273       0.9813375 12.59294       1.359301  1.577442       2.336056  
1 1 1 7  28 14 o 44.13090 1.164861  19.57065       0.9057847 19.52066       1.055210  19.71062       1.765686  -0.6466675E-01 2.329723  
1 1 1 7  28 15 o 38.30811 1.232392  14.69841       0.9342383 14.05832       1.223897  15.59211       1.446172  -1.941189      2.464784  
1 1 1 7  28 16 o 10.74681 2.684855  0.9558647      0.6402894 0.7690899      0.7354317 1.540879       1.301567  -3.278797      5.369709  
1 1 1 7  28 17 o 43.16039 1.392530  18.94384       1.154236  18.79754       1.441877  19.20485       1.925909  -0.2285500     2.785060  
1 1 1 7  28 18 o 11.10563 3.133509  0.9003616      0.9580223 0.5894763      1.126152  1.714639       1.822566  -3.440317      6.267018  
1 1 1 7  28 19 o 22.09199 1.964378  5.290404       0.8671919 5.594495       1.242600  5.001676       1.210808  1.293224       3.928757  
1 1 1 7  28 20 o 8.076771 2.512263  -0.1699537     0.8431499 -1.218302      1.222194  0.7820379      1.164672  -2.787431      5.024526  
1 1 1 7  29 0  o 137.7242 2.241075  189.7281       5.762267  191.9837       10.17620  188.6635       6.991059  0.000000       0.000000  
1 1 1 7  29 1  o 135.3812 1.362689  183.9693       3.662454  179.6729       5.489580  187.4157       4.916638  -2.879303      2.725378  
1 1 1 7  29 2  o 166.9141 1.610966  279.9743       5.359238  265.8642       7.783633  292.6930       7.389901  -8.052643      3.221932  
1 1 1 7  29 3  o 103.7626 1.275831  106.7469       2.483086  110.7836       4.384498  104.8409       3.012808  2.820213       2.551662  
1 1 1 7  29 4  o 70.46382 0.9041919 49.68262       1.274069  49.77037       1.787374  49.59198       1.816591  0.1272659      1.808384  
1 1 1 7  29 5  o 101.3852 1.025240  102.8597       2.078711  104.0124       2.963204  101.7428       2.916827  1.117996       2.050481  
1 1 1 7  29 6  o 98.82594 1.098538  97.87840       2.146031  98.49496       2.832232  97.04719       3.288520  0.7480927      2.197076  
1 1 1 7  29 7  f 69.80843 0.9154512 48.77044       1.277842  50.15792       1.814084  47.40401       1.800279  1.972046       1.830902  
1 1 1 7  29 8  o 28.36448 1.486009  8.292503       0.8114672 7.102036       1.282336  9.087605       1.047984  -3.513107      2.972018  
1 1 1 7  29 9  o 78.42877 1.013938  61.69822       1.578816  60.84212       2.372211  62.37897       2.115364  -0.9939346     2.027876  
1 1 1 7  29 10 o 49.95931 1.086998  25.03057       1.053800  25.07874       1.337976  24.95187       1.710221  0.1539040      2.173995  
1 1 1 7  29 11 o 36.57276 1.091763  13.45400       0.7946513 13.80420       1.080066  13.04071       1.173331  1.053738       2.183525  
1 1 1 7  29 12 o 50.20901 0.8667054 25.25948       0.8697052 25.00213       1.204695  25.53959       1.256860  -0.5300941     1.733411  
1 1 1 7  29 13 o 67.37784 1.126023  46.38516       1.441542  48.10618       1.798289  43.29089       2.411267  3.686287       2.252047  
1 1 1 7  29 14 o 34.52938 1.215826  11.98830       0.7977612 11.89599       0.9836098 12.16576       1.363763  -0.2920341     2.431651  
1 1 1 7  29 15 o 14.93546 2.503250  2.495169       0.7299144 2.809886       0.8986467 1.884981       1.251295  3.228182       5.006501  
1 1 1 7  29 16 o 48.68269 1.234827  23.63871       0.9936559 23.35171       1.121556  24.68618       2.142614  -1.000217      2.469654  
1 1 1 7  29 17 o 49.90703 1.292380  25.35955       1.286230  25.23366       1.751863  25.50677       1.894506  -0.2011452     2.584760  
1 1 1 7  29 18 o 11.54837 2.968555  1.408256       0.8715977 1.198603       1.116769  1.734971       1.394108  -1.609583      5.937109  
1 1 1 7  29 19 o 16.76586 2.591511  3.372174       0.8957669 5.003509       1.282002  1.815958       1.252137  9.011125       5.183021  
1 1 1 7  29 20 o 16.32141 2.582626  3.186466       0.8653452 4.706045       1.287930  1.935949       1.168356  7.935076       5.165252  
1 1 1 7  30 0  o 35.86473 1.876932  12.80998       1.304370  14.43450       2.111559  11.80758       1.658677  0.000000       0.000000  
1 1 1 7  30 1  o 41.11612 1.126541  17.01761       0.9159457 17.63713       1.220639  16.21922       1.385687  1.728989       2.253083  
1 1 1 7  30 2  o 50.91341 1.081280  25.94361       1.100607  25.95559       1.578770  25.93229       1.535133  0.2166367E-01  2.162559  
1 1 1 7  30 3  o 126.1936 1.376325  159.4773       3.473660  158.9900       4.909070  159.9660       4.915933  -0.3864746     2.752651  
1 1 1 7  30 4  o 86.03351 1.128809  74.09766       1.942181  74.40715       2.734517  73.78263       2.758964  0.3637466      2.257617  
1 1 1 7  30 5  o 22.36529 2.032988  5.110765       0.8648935 4.716461       1.438943  5.333792       1.082196  -1.402618      4.065977  
1 1 1 7  30 6  o 88.16682 1.059040  77.77868       1.849686  78.09549       2.819495  77.53931       2.450789  0.3022766      2.118080  
1 1 1 7  30 7  o 79.90273 0.9377205 63.69577       1.495542  60.73504       2.037801  67.15202       2.201731  -4.009811      1.875441  
1 1 1 7  30 8  o 80.93808 0.9435831 65.58512       1.527362  66.07050       2.173165  65.11132       2.147102  0.5913315      1.887166  
1 1 1 7  30 9  o 116.7407 1.247193  136.2820       2.859506  134.6323       3.698287  138.7344       4.509086  -1.691170      2.494386  
1 1 1 7  30 10 f 29.56780 1.333958  8.809694       0.7854407 9.144224       1.075051  8.426676       1.150328  1.222347       2.667916  
1 1 1 7  30 11 o 41.20679 1.064538  16.97812       0.8757922 18.17597       1.283838  15.93552       1.197752  2.708881       2.129076  
1 1 1 7  30 12 o 24.94059 1.344113  6.131352       0.6634369 7.368067       1.026926  5.245426       0.8691666 4.227741       2.688227  
1 1 1 7  30 13 f 20.62822 1.845953  4.421503       0.7173185 4.625536       0.8899341 4.043093       1.211958  1.518175       3.691905  
1 1 1 7  30 14 o 20.26543 2.384114  6.093142       0.7796401 8.102384       0.9293929 1.321201       1.432289  16.16781       4.768228  
1 1 1 7  30 15 f 41.89564 1.113585  17.81851       0.8796475 18.00234       1.080739  17.45768       1.514126  0.7865562      2.227170  
1 1 1 7  30 16 o 13.01092 2.723525  1.746342       0.6947817 1.592438       0.8116953 2.168154       1.343779  -1.877527      5.447051  
1 1 1 7  30 17 o 8.175928 2.559214  -0.2613914     0.8321106 -0.5884884     1.123677  0.1357816      1.238206  -1.545386      5.118427  
1 1 1 7  30 18 o 12.28500 3.039290  1.731399       0.9366145 2.066001       1.254500  1.309979       1.407874  1.794773       6.078580  
1 1 1 7  30 19 o 14.24182 2.890986  2.539051       0.8557435 2.422960       1.111006  2.708388       1.341813  -0.4881506     5.781971  
1 1 1 7  30 20 f 11.38239 3.027104  1.749686       0.9721636 2.172313       1.254054  1.113203       1.538974  2.267379       6.054209  
1 1 1 7  31 0  o 46.54725 1.659520  21.97764       1.490467  22.38101       1.901685  21.33525       2.399868  0.000000       0.000000  
1 1 1 7  31 1  o 50.98139 1.021424  25.77142       1.033161  24.23102       1.362199  27.85759       1.585259  -3.550331      2.042848  
1 1 1 7  31 2  o 132.1433 1.242627  174.8385       3.284006  174.5734       4.625574  175.1080       4.663227  -0.2009277     2.485254  
1 1 1 7  31 3  o 32.43763 1.218250  10.48875       0.7876781 11.08559       1.173650  9.999585       1.062513  1.669830       2.436499  
1 1 1 7  31 4  o 121.7637 1.174863  148.4103       2.860446  146.6076       3.993825  150.3091       4.098780  -1.515915      2.349726  
1 1 1 7  31 5  o 169.4956 1.526075  287.9246       5.173177  289.1925       7.341218  286.6740       7.290994  0.7403259      3.052149  
1 1 1 7  31 6  o 53.09000 0.9655199 28.20087       1.024380  27.92327       1.417714  28.50414       1.481793  -0.5447845     1.931040  
1 1 1 7  31 7  o 65.55039 0.9272048 42.98928       1.215111  44.01175       1.748170  42.03357       1.690151  1.506409       1.854410  
1 1 1 7  31 8  o 52.87051 0.9372190 28.03153       0.9898186 29.12864       1.385782  26.88884       1.414283  2.119911       1.874438  
1 1 1 7  31 9  o 38.56432 1.076175  14.88113       0.8273131 16.64664       1.197392  13.26842       1.144401  4.375561       2.152350  
1 1 1 7  31 10 o 22.85334 1.687264  5.300379       0.7658709 4.722347       1.103511  5.837549       1.063791  -2.446682      3.374528  
1 1 1 7  31 11 f 41.00894 0.9780493 16.86338       0.8007575 15.52816       1.118080  18.26947       1.147372  -3.338947      1.956099  
1 1 1 7  31 12 o 19.19318 1.715214  3.815235       0.6435756 3.047908       0.9408224 4.490071       0.8823004 -3.773544      3.430428  
1 1 1 7  31 13 o 8.532265 2.543859  0.6751096E-01  0.6950962 -0.1304327     0.8374098 0.5060242      1.246403  -2.798903      5.087718  
1 1 1 7  31 14 o 51.23573 1.047678  26.79744       1.017657  27.60948       1.264097  25.30191       1.715504  2.362183       2.095356  
1 1 1 7  31 15 o 44.88741 1.135210  20.68367       0.9537114 21.33176       1.170256  19.40200       1.645697  2.299397       2.270419  
1 1 1 7  31 16 o 25.55737 1.891171  6.790098       0.8579958 6.793867       1.006586  6.780086       1.640781  0.4783669      3.782343  
1 1 1 7  31 17 o 8.435749 2.583199  -0.1401267E-01 0.8259357 0.5317932      1.164171  -0.5671524     1.171967  1.842223       5.166397  
1 1 1 7  31 18 o 12.64627 2.903047  1.920229       0.8447168 1.653701       1.177033  2.203293       1.212999  -1.546970      5.806095  
1 1 1 7  31 19 o 24.19569 2.417474  7.260198       1.028813  8.512444       1.309899  5.243936       1.662136  7.843416       4.834949  
1 1 1 7  32 0  o 32.38375 1.810507  10.59232       1.149163  11.51126       1.763077  9.913553       1.515254  0.000000       0.000000  
1 1 1 7  32 1  o 176.3825 1.579692  311.6677       5.570570  306.6438       7.752629  317.0302       8.009604  -2.931198      3.159384  
1 1 1 7  32 2  o 140.5146 1.408122  198.1026       3.925545  200.2198       5.245975  195.4086       5.917631  1.742981       2.816245  
1 1 1 7  32 3  o 108.1673 1.166835  117.0959       2.498038  116.7569       3.301020  117.5501       3.821339  -0.3462982     2.333670  
1 1 1 7  32 4  o 107.4693 1.167646  115.7414       2.485492  116.3068       3.298349  114.9985       3.780886  0.6282501      2.335292  
1 1 1 7  32 5  o 79.66692 1.015840  63.58925       1.606019  63.95187       2.145205  63.12683       2.422501  0.5285187      2.031680  
1 1 1 7  32 6  o 43.32059 1.357889  19.45918       1.093238  20.74012       1.346081  16.97699       1.873812  4.375732       2.715779  
1 1 1 7  32 7  o 107.3510 1.166078  115.5401       2.477894  115.6493       3.278893  115.3947       3.783590  0.1556244      2.332157  
1 1 1 7  32 8  o 134.7829 1.371263  182.4046       3.659582  182.7670       4.848325  181.9246       5.579149  0.3829956      2.742527  
1 1 1 7  32 9  o 127.9716 1.223114  164.4380       3.130477  164.4267       4.426724  164.4493       4.427603  -0.8735657E-02 2.446229  
1 1 1 7  32 10 o 80.34479 0.9429360 64.72329       1.515167  65.27487       2.150214  64.17928       2.135403  0.6803207      1.885872  
1 1 1 7  32 11 o 38.69934 1.114401  15.20838       0.8461311 14.12694       1.304514  15.99376       1.111701  -2.440262      2.228803  
1 1 1 7  32 12 o 22.49109 1.491364  5.120705       0.6698558 5.460672       0.9503111 4.784986       0.9443555 1.500479       2.982727  
1 1 1 7  32 13 o 31.68055 1.300413  10.20900       0.7755912 10.35197       0.9524108 9.927531       1.336349  0.7745934      2.600826  
1 1 1 7  32 14 o 40.50838 1.160406  17.00652       0.8990726 18.23797       1.142997  15.00813       1.456053  4.087452       2.320812  
1 1 1 7  32 15 o 17.96387 2.291536  3.683261       0.7414410 4.144638       0.9179334 2.817220       1.257629  4.241825       4.583073  
1 1 1 7  32 16 o 23.58082 1.754230  5.026129       0.7699477 3.843978       0.9086790 8.035437       1.449798  -8.522161      3.508460  
1 1 1 7  32 17 o 12.80988 3.249559  1.778972       1.057981  2.661607       1.670765  1.188138       1.366966  3.521704       6.499118  
1 1 1 7  32 18 o 27.48649 1.823471  8.529449       0.9278169 11.64921       1.290428  5.190619       1.334967  11.81233       3.646942  
1 1 1 7  32 19 o 11.59701 2.966422  1.649414       0.8939778 1.948107       1.256946  1.343651       1.271735  1.503624       5.932844  
1 1 1 7  33 0  o 41.17697 1.900081  17.34989       1.493129  17.78276       1.889192  16.62949       2.437161  0.000000       0.000000  
1 1 1 7  33 1  o 115.0056 1.139782  132.2247       2.618613  128.3646       3.600196  136.5609       3.815754  -3.554955      2.279564  
1 1 1 7  33 2  o 135.3817 1.273307  183.5144       3.446805  186.3537       4.941472  180.8240       4.810215  2.036362       2.546614  
1 1 1 7  33 3  o 79.76245 0.9559621 63.65516       1.524424  62.78358       2.121554  64.58547       2.191888  -1.127052      1.911924  
1 1 1 7  33 4  o 46.58475 1.058431  21.62861       0.9834939 19.64452       1.343454  23.91982       1.443691  -4.584373      2.116861  
1 1 1 7  33 5  o 77.64790 0.9522009 60.25905       1.477126  58.06700       2.031892  62.71597       2.151149  -2.987961      1.904402  
1 1 1 7  33 6  o 44.98149 1.025730  20.27803       0.9223273 21.01517       1.304695  19.54163       1.304041  1.637901       2.051461  
1 1 1 7  33 7  o 60.22372 1.001913  36.18195       1.194358  35.28442       1.571077  37.41091       1.838406  -1.747101      2.003826  
1 1 1 7  33 8  o 35.70307 1.149018  12.79352       0.8134422 10.66671       1.126724  15.10881       1.175593  -6.215652      2.298036  
1 1 1 7  33 9  o 108.4021 1.092460  117.8905       2.367859  119.4607       3.396280  116.4053       3.302985  1.398582       2.184920  
1 1 1 7  33 10 o 10.19070 2.554376  0.9088528      0.6685283 0.4993270      0.9885870 1.253948       0.9074935 -1.978245      5.108753  
1 1 1 7  33 11 o 26.94274 1.272929  7.283702       0.6842237 7.957357       1.008210  6.708531       0.9316010 2.299816       2.545857  
1 1 1 7  33 12 o 7.967100 2.354200  0.1275029      0.6351083 0.4096596      0.8829220 -0.1750354     0.9142550 1.171077       4.708400  
1 1 1 7  33 13 o 32.17303 1.103053  10.44735       0.7088620 10.73880       0.9870457 10.13692       1.018667  0.9436760      2.206105  
1 1 1 7  33 14 o 36.21619 1.258213  13.33690       0.8617766 13.45401       1.061788  13.11083       1.475203  0.6187363      2.516426  
1 1 1 7  33 15 o 38.71035 1.475486  15.91624       1.033580  16.85809       1.246601  13.84475       1.848739  4.204311       2.950971  
1 1 1 7  33 16 o 36.76834 1.372769  14.30276       0.9568411 15.28988       1.204539  12.61466       1.575194  3.919250       2.745538  
1 1 1 7  33 17 o 39.03005 1.267189  15.38916       0.9164372 14.85403       1.097504  16.62164       1.665584  -1.762444      2.534378  
1 1 1 7  33 18 o 8.043828 2.513611  -0.6180510E-01 0.8242296 -0.7882916     1.253487  0.4915695      1.093996  -1.510854      5.027222  
1 1 1 7  33 19 o 36.69462 1.697428  14.88178       1.242954  15.05507       1.821761  14.73085       1.700139  0.1733360      3.394855  
1 1 1 7  34 0  o 51.59745 1.622245  26.26273       1.559359  25.29929       1.880662  28.38228       2.789456  0.000000       0.000000  
1 1 1 7  34 1  o 47.20039 1.028386  22.28555       0.9703256 21.39559       1.350641  23.23484       1.394926  -1.946499      2.056772  
1 1 1 7  34 2  f 108.4816 1.105252  117.8583       2.397923  118.1253       3.380810  117.5881       3.401635  0.2486038      2.210504  
1 1 1 7  34 3  f 68.39458 0.9455300 46.81819       1.293104  46.06404       1.805939  47.61165       1.852397  -1.129295      1.891060  
1 1 1 7  34 4  o 49.68855 1.006197  24.73738       0.9973908 22.47640       1.396666  27.09036       1.424802  -4.641273      2.012393  
1 1 1 7  34 5  o 39.09328 1.026168  15.25592       0.8001277 16.04988       1.185904  14.59249       1.084047  1.857178       2.052336  
1 1 1 7  34 6  o 76.02769 1.011411  58.13575       1.529287  60.30401       2.079752  55.58327       2.256522  3.117172       2.022821  
1 1 1 7  34 7  o 29.10163 1.306110  8.514972       0.7575029 9.445442       1.081101  7.617592       1.061704  3.138107       2.612220  
1 1 1 7  34 8  o 25.64451 1.439111  6.658243       0.7329160 5.852124       1.048777  7.427691       1.024644  -3.075558      2.878223  
1 1 1 7  34 9  o 14.77686 2.586814  2.164429       0.7217566 2.833394       1.291974  1.860940       0.8702092 3.034006       5.173628  
1 1 1 7  34 10 o 69.02843 0.9023069 47.78583       1.245246  49.19409       1.789964  46.46505       1.733481  1.968826       1.804614  
1 1 1 7  34 11 o 62.25786 0.9793177 38.93075       1.205247  38.71424       1.586194  39.22651       1.853899  -0.3593178     1.958635  
1 1 1 7  34 12 o 59.06944 0.9173819 35.07200       1.083579  35.02316       1.517243  35.12284       1.548047  -0.7822418E-01 1.834764  
1 1 1 7  34 13 o 17.91288 2.146875  3.145165       0.7250052 2.619320       0.8849291 4.218705       1.264412  -4.459471      4.293751  
1 1 1 7  34 14 o 26.70399 1.498553  7.292421       0.7618534 7.284650       0.9435480 7.306977       1.291371  0.1456642      2.997106  
1 1 1 7  34 15 o 42.02557 1.213602  17.89941       1.013761  17.55721       1.354779  18.33480       1.528182  -0.8444901     2.427205  
1 1 1 7  34 16 o 46.97089 1.134251  22.02506       0.9955993 21.05255       1.198180  24.19414       1.789415  -2.906662      2.268502  
1 1 1 7  34 17 o 12.99045 3.007476  1.658809       0.9183952 0.7443060      1.126423  3.472098       1.586144  -6.903106      6.014952  
1 1 1 7  34 18 o 55.27845 1.203463  31.80199       1.327546  31.67459       1.817051  31.94785       1.944265  -0.9387207E-01 2.406926  
1 1 1 7  35 0  o 52.08425 1.458776  27.32883       1.512467  28.04659       2.105139  26.56302       2.174446  0.000000       0.000000  
1 1 1 7  35 1  o 61.50622 1.050684  38.05168       1.274349  36.93070       1.958513  38.87474       1.678191  -1.596851      2.101368  
1 1 1 7  35 2  o 31.22121 1.383800  9.780704       0.8638695 10.04107       1.222925  9.521379       1.220470  0.8320713      2.767600  
1 1 1 7  35 3  o 125.6647 1.211615  158.3410       3.045115  158.3825       4.297355  158.2992       4.315590  0.3459167E-01  2.423229  
1 1 1 7  35 4  o 115.2818 1.433398  132.1728       3.056348  130.2106       3.666328  136.6426       5.533567  -2.617020      2.866796  
1 1 1 7  35 5  o 39.33850 1.115996  15.52966       0.8773223 16.06084       1.231909  14.98301       1.249724  1.371475       2.231992  
1 1 1 7  35 6  o 22.78242 1.830170  5.271699       0.8134120 5.072630       1.288603  5.403561       1.048764  -0.7674961     3.660340  
1 1 1 7  35 7  o 82.37945 1.478960  68.17373       1.983382  68.52642       4.332063  68.08020       2.230936  -0.3906250E-01 2.957921  
1 1 1 7  35 8  o 37.02767 1.065951  13.78166       0.7865734 13.50586       1.155945  14.01947       1.073402  -0.7037354     2.131903  
1 1 1 7  35 9  o 63.98241 0.9707816 41.12646       1.236525  40.67785       1.833697  41.50058       1.674542  -0.6642570     1.941563  
1 1 1 7  35 10 o 54.49268 1.087696  30.26641       1.143440  31.46755       1.454660  28.32419       1.849754  2.961830       2.175393  
1 1 1 7  35 11 o 19.32102 1.789287  3.805744       0.6866453 4.405596       0.9881924 3.245753       0.9547946 2.988998       3.578574  
1 1 1 7  35 12 o 22.20135 1.861745  5.001874       0.7940391 4.880535       0.9886116 5.222440       1.332888  -0.6111145     3.723490  
1 1 1 7  35 13 o 31.47503 1.254116  9.887476       0.7821144 11.09211       1.211157  9.025829       1.024324  3.215784       2.508231  
1 1 1 7  35 14 o 10.85180 2.435248  0.9734080      0.7679519 2.290327       0.9977334 -0.9408416     1.202913  7.122594       4.870496  
1 1 1 7  35 15 o 69.95937 1.138652  49.99977       1.585559  50.88715       2.151812  48.94563       2.345299  1.506401       2.277304  
1 1 1 7  35 16 o 22.80711 2.453771  6.071167       1.015490  6.737410       1.287120  4.972697       1.652708  4.766230       4.907543  
1 1 1 7  35 17 o 42.14098 1.326519  19.15543       1.055151  20.70208       1.329114  16.51926       1.735217  5.443756       2.653038  
1 1 1 7  35 18 o 25.03139 2.076336  6.963545       1.019584  8.015046       1.644091  6.306438       1.299688  2.603195       4.152672  
1 1 1 7  36 0  o 24.96523 3.453062  7.479462       1.353034  8.410338       1.667211  5.683521       2.315744  0.000000       0.000000  
1 1 1 7  36 1  o 53.25997 1.374212  28.44988       1.412094  28.52524       2.327776  28.40599       1.776250  0.6269073E-01  2.748423  
1 1 1 7  36 2  o 95.17761 1.192645  90.68634       2.267608  93.75719       3.305331  87.95592       3.116736  3.032455       2.385291  
1 1 1 7  36 3  o 55.49235 1.146167  30.86435       1.271742  30.03148       1.776180  31.74047       1.821714  -1.535912      2.292333  
1 1 1 7  36 4  o 52.89014 1.060191  27.90688       1.111336  29.10368       1.704414  27.02175       1.465775  1.945633       2.120382  
1 1 1 7  36 5  o 49.44645 0.9879116 24.50361       0.9766802 23.70147       1.365535  25.34374       1.397488  -1.657562      1.975823  
1 1 1 7  36 6  o 120.4462 1.256156  145.9578       3.005624  143.9358       4.503054  147.5824       4.036331  -1.575317      2.512311  
1 1 1 7  36 7  o 71.73396 0.9340430 51.59932       1.339677  51.38378       1.870812  51.82616       1.919297  -0.3031006     1.868086  
1 1 1 7  36 8  o 32.82545 1.245708  10.86413       0.8122689 11.07536       1.093219  10.60380       1.213639  0.7383003      2.491416  
1 1 1 7  36 9  o 44.09088 1.035327  19.61831       0.9095677 20.75841       1.259005  18.37359       1.315500  2.715137       2.070654  
1 1 1 7  36 10 o 51.55938 1.018770  26.57207       1.041226  25.47894       1.371952  28.05700       1.599026  -2.450203      2.037540  
1 1 1 7  36 11 o 44.73585 0.9910375 20.14191       0.8863996 20.81322       1.257188  19.47830       1.249960  1.490368       1.982075  
1 1 1 7  36 12 o 41.11885 1.116480  17.21020       0.9047740 16.23109       1.380429  17.94759       1.197970  -2.145550      2.232960  
1 1 1 7  36 13 o 16.79650 2.447628  3.076384       0.7938092 2.784972       1.079093  3.420058       1.171869  -1.789451      4.895256  
1 1 1 7  36 14 o 32.24998 1.433609  10.64526       0.8686429 10.67332       1.062153  10.58859       1.509413  0.3721466      2.867218  
1 1 1 7  36 15 o 14.87857 2.918222  2.284116       0.7752856 1.964921       0.8732408 3.472223       1.684744  -3.504410      5.836444  
1 1 1 7  36 16 o 27.49170 1.649369  8.052056       0.8612372 8.154538       1.070037  7.863552       1.451223  1.011555       3.298737  
1 1 1 7  36 17 o 11.91498 2.938865  1.037603       0.8538390 0.1255479      0.9959317 3.567387       1.658672  -8.285131      5.877731  
1 1 1 7  36 18 o 16.56921 3.165218  3.909107       1.078214  3.608497       1.551057  4.190209       1.499881  -1.711319      6.330435  
1 1 1 7  37 0  o 38.87370 2.304694  14.65893       1.500772  17.18637       3.187090  13.93883       1.701186  0.000000       0.000000  
1 1 1 7  37 1  o 58.55420 1.040156  34.45688       1.195565  34.78957       1.552994  33.97282       1.873250  0.7271652      2.080312  
1 1 1 7  37 2  o 10.43716 2.672888  0.9232008      0.7202938 0.8158184      1.030519  1.025774       1.007180  -0.5193281     5.345777  
1 1 1 7  37 3  o 61.56599 0.9472520 37.97211       1.165869  36.47752       1.627194  39.54876       1.671263  -2.490189      1.894504  
1 1 1 7  37 4  o 21.15337 1.891294  4.501828       0.7974208 4.751508       1.188274  4.297261       1.075576  1.051649       3.782587  
1 1 1 7  37 5  o 46.27857 0.9998090 21.48073       0.9253708 21.69859       1.311514  21.26476       1.305848  0.4681206      1.999618  
1 1 1 7  37 6  o 79.80893 1.031255  63.82125       1.627877  63.22787       2.143820  64.62929       2.501729  -0.8334122     2.062509  
1 1 1 7  37 7  o 103.5919 1.150651  107.2094       2.344296  104.4369       3.032288  111.3284       3.696050  -3.223694      2.301302  
1 1 1 7  37 8  o 17.80717 1.849851  3.231976       0.6572469 3.307066       0.9055864 3.148399       0.9553867 0.4624062      3.699703  
1 1 1 7  37 9  o 58.99276 1.017986  34.83522       1.180467  36.00583       1.862379  34.04907       1.526222  1.585304       2.035971  
1 1 1 7  37 10 o 109.6395 1.209788  120.8563       2.622635  124.2102       4.048251  118.4305       3.442803  2.475113       2.419576  
1 1 1 7  37 11 o 51.81783 0.9459168 27.04643       0.9800537 27.66116       1.382987  26.42631       1.389043  1.193123       1.891834  
1 1 1 7  37 12 o 26.82592 1.528574  7.307847       0.8164168 8.347876       1.195009  6.397530       1.118009  3.599485       3.057148  
1 1 1 7  37 13 o 49.27913 1.016998  24.61450       0.9985291 25.31570       1.366204  23.81039       1.463030  1.565147       2.033997  
1 1 1 7  37 14 o 45.56676 1.343095  21.42040       1.216125  24.29598       1.727746  18.59674       1.712082  6.242031       2.686191  
1 1 1 7  37 15 o 34.01881 1.393349  11.83808       0.8995150 11.50079       1.103443  12.50622       1.553044  -1.063854      2.786698  
1 1 1 7  37 16 o 10.69530 3.048391  0.9918991      0.8788242 0.7584866      1.007359  1.735472       1.797976  -2.961890      6.096782  
1 1 1 7  37 17 f 20.36597 2.215977  4.732710       0.8981595 4.724627       1.214718  4.742458       1.334027  0.2248707      4.431955  
1 1 1 7  38 0  f 7.963448 3.428836  0.3987685      1.054136  -0.3861622     1.446019  1.288995       1.539957  0.000000       0.000000  
1 1 1 7  38 1  o 61.61786 1.074353  38.03337       1.322572  39.42862       1.925575  36.78731       1.819711  2.131466       2.148706  
1 1 1 7  38 2  o 61.14387 1.238026  37.39069       1.462593  38.19340       2.413281  36.92468       1.838771  0.9632683      2.476053  
1 1 1 7  38 3  o 20.01569 2.475129  4.024637       0.9215786 4.547845       1.598348  3.764074       1.127949  1.474930       4.950257  
1 1 1 7  38 4  o 29.41851 1.472930  8.744542       0.8624805 8.346938       1.265688  9.089220       1.178443  -1.276016      2.945859  
1 1 1 7  38 5  o 104.6869 1.176992  109.7921       2.427526  112.1691       3.791574  108.1409       3.160131  1.828720       2.353984  
1 1 1 7  38 6  o 55.38904 1.025907  30.87499       1.114964  30.46629       1.749516  31.15451       1.446846  -0.6652641     2.051815  
1 1 1 7  38 7  o 43.80297 1.102469  19.37529       0.9542586 18.85231       1.456284  19.76882       1.263258  -1.085072      2.204939  
1 1 1 7  38 8  o 29.65594 1.214084  8.860121       0.7185426 8.692982       0.9805281 9.053986       1.056010  -0.5892162     2.428168  
1 1 1 7  38 9  o 39.62328 1.072950  15.74944       0.8486238 14.77757       1.157964  16.87702       1.247277  -2.628681      2.145900  
1 1 1 7  38 10 o 20.20700 1.904942  4.311096       0.7262673 5.520900       1.031357  3.121075       1.022890  6.162975       3.809883  
1 1 1 7  38 11 o 41.62201 1.097574  17.56024       0.9056746 18.07030       1.214119  16.92037       1.359873  1.426510       2.195148  
1 1 1 7  38 12 o 6.901649 2.212321  -0.5902120     0.6737972 -0.1505518E-01 0.9760749 -1.113799      0.9312884 1.889720       4.424641  
1 1 1 7  38 13 o 34.39753 1.151159  11.66224       0.7755874 8.847256       1.013626  15.63807       1.204631  -9.785923      2.302319  
1 1 1 7  38 14 o 9.391136 2.534474  0.7549801      0.6729810 1.128237       0.9837412 0.4266288      0.9226695 1.973250       5.068948  
1 1 1 7  38 15 o 16.20806 2.756742  3.327747       0.8793323 3.735838       1.066419  2.460921       1.554231  4.581332       5.513484  
1 1 1 7  38 16 o 14.02281 2.775091  2.606291       0.8439922 3.123250       1.061574  1.718143       1.391442  4.413716       5.550182  
1 1 1 7  38 17 o 9.714642 2.851637  0.9593784      0.9320913 1.315049       1.180473  0.3704864      1.518972  1.259824       5.703274  
1 1 1 7  39 0  o 6.623200 3.159826  -0.4989469     1.107933  -0.6149911     1.400378  -0.3047580     1.811531  0.000000       0.000000  
1 1 1 7  39 1  o 110.6331 1.197545  122.8018       2.622245  124.1175       4.017288  121.8250       3.461334  0.9596481      2.395089  
1 1 1 7  39 2  o 74.71700 0.9426355 55.96217       1.408166  57.82182       2.018952  54.20052       1.965037  2.417168       1.885271  
1 1 1 7  39 3  o 91.09111 1.002920  83.27903       1.827135  82.96619       2.580118  83.59374       2.587816  -0.3434677     2.005841  
1 1 1 7  39 4  o 71.12454 0.9356138 50.67371       1.329460  52.42016       1.935823  49.11469       1.829001  2.310402       1.871228  
1 1 1 7  39 5  o 73.92342 0.9452116 54.86139       1.397184  54.16270       1.952314  55.59492       2.000397  -0.9611664     1.890423  
1 1 1 7  39 6  o 36.57403 1.078093  13.47294       0.7874093 12.66780       1.116485  14.26972       1.110668  -2.191116      2.156186  
1 1 1 7  39 7  f 33.60654 1.167839  11.38023       0.7846038 10.92996       1.095546  11.85435       1.124203  -1.368130      2.335678  
1 1 1 7  39 8  o 36.62537 1.148747  13.51759       0.8413492 13.28983       1.178138  13.75463       1.201913  -0.6286888     2.297494  
1 1 1 7  39 9  o 20.71251 2.356549  4.585673       0.8471418 4.670613       1.003454  4.374946       1.580524  1.387098       4.713097  
1 1 1 7  39 10 o 29.63858 1.428481  9.078441       0.8260497 9.751530       1.082512  8.140110       1.278127  2.797203       2.856961  
1 1 1 7  39 11 o 19.23391 1.840896  3.832034       0.7072002 3.850495       1.027851  3.815439       0.9745415 0.5419350E-01  3.681792  
1 1 1 7  39 12 o 16.22609 2.539633  3.123572       0.7705783 2.165655       1.378917  3.558561       0.9292100 -4.627111      5.079266  
1 1 1 7  39 13 o 31.18124 1.317097  10.00492       0.8211900 10.29953       1.168103  9.717035       1.154690  0.9235554      2.634195  
1 1 1 7  39 14 o 15.90141 2.455676  2.934781       0.7572968 3.164892       1.022176  2.654798       1.127515  1.766434       4.911352  
1 1 1 7  39 15 o 16.21370 2.660628  3.230376       0.8237273 3.328237       1.030727  3.057400       1.370358  1.574429       5.321256  
1 1 1 7  39 16 f 9.782810 2.721881  0.5558131      0.9611472 1.923085       1.214538  -1.735311      1.572200  5.025310       5.443761  
1 1 1 7  40 0  o 65.08378 1.333728  42.54403       1.731524  44.68427       2.503679  40.58183       2.397277  0.000000       0.000000  
1 1 1 7  40 1  o 43.23065 1.004205  18.74525       0.8678503 19.33006       1.250420  18.20174       1.205466  1.298828       2.008410  
1 1 1 7  40 2  o 46.21061 1.049272  21.41579       0.9632687 21.14958       1.286218  21.75580       1.453628  -0.6302338     2.098544  
1 1 1 7  40 3  o 76.69892 1.011286  59.17418       1.544143  59.74590       2.091601  58.48930       2.289256  0.8530579      2.022572  
1 1 1 7  40 4  o 31.38394 1.242869  9.938872       0.7774786 10.98321       1.108128  8.926359       1.091111  3.273052       2.485738  
1 1 1 7  40 5  o 52.40427 1.012674  27.43361       1.051654  26.34870       1.384718  28.91227       1.616585  -2.400829      2.025348  
1 1 1 7  40 6  o 28.58665 1.320813  8.293970       0.7518066 8.836341       1.039954  7.700208       1.088110  2.000832       2.641625  
1 1 1 7  40 7  o 10.80322 2.492865  1.131265       0.6819492 1.780762       0.8907926 0.2116552      1.059960  4.163918       4.985730  
1 1 1 7  40 8  o 24.12003 1.918494  6.230464       0.8583154 6.799246       1.065853  5.181161       1.447686  3.528234       3.836988  
1 1 1 7  40 9  o 13.39212 2.690967  1.930370       0.7498763 1.751533       0.9951115 2.165368       1.140706  -1.329564      5.381934  
1 1 1 7  40 10 o 15.67675 2.266897  2.696570       0.6949921 1.958561       1.010812  3.358258       0.9571190 -4.679787      4.533794  
1 1 1 7  40 11 o 57.17899 1.195509  33.28804       1.279517  32.98046       2.238807  33.43724       1.559265  -0.7106438     2.391018  
1 1 1 7  40 12 o 66.05663 0.9850681 44.23668       1.301154  43.68243       1.818565  44.81800       1.862438  -0.8374023     1.970136  
1 1 1 7  40 13 o 47.53931 1.189957  23.18659       1.129773  23.69166       1.649183  22.73998       1.550830  0.9216423      2.379915  
1 1 1 7  40 14 f 17.53880 2.561533  3.689126       0.8424658 3.967452       1.048219  3.181326       1.415864  3.196075       5.123065  
1 1 1 7  40 15 o 9.185061 2.650955  0.2588342      0.8883129 -1.232418      1.288628  1.609148       1.226223  -4.590020      5.301909  
1 1 1 7  40 16 o 9.712179 2.949815  0.8554392      1.010047  0.8831133      1.274638  0.8087350      1.655875  -0.3708706     5.899630  
1 1 1 7  41 0  o 35.73030 1.556112  12.99372       1.101718  13.05994       1.520893  12.92060       1.598102  0.000000       0.000000  
1 1 1 7  41 1  o 30.97458 1.315629  9.578499       0.8107282 10.87037       1.220719  8.558994       1.084429  3.698273       2.631258  
1 1 1 7  41 2  o 46.59444 0.9854134 21.81982       0.9181656 22.31259       1.302304  21.33280       1.294694  1.050026       1.970827  
1 1 1 7  41 3  o 114.4595 1.150088  131.9696       2.632744  132.8096       3.728672  131.1345       3.717876  0.7292786      2.300176  
1 1 1 7  41 4  o 59.07484 0.9239194 35.07985       1.091592  35.05524       1.539349  35.10474       1.548177  -0.4013824E-01 1.847839  
1 1 1 7  41 5  f 16.38001 2.145504  2.748953       0.6824009 2.181204       0.9050994 3.496786       1.038772  -4.207358      4.291009  
1 1 1 7  41 6  o 61.07748 0.9383412 37.52851       1.145063  37.91383       1.588688  37.11192       1.651886  0.6696892      1.876682  
1 1 1 7  41 7  o 19.24091 2.120451  3.901465       0.7687074 3.992530       0.9795899 3.755511       1.240159  1.044662       4.240903  
1 1 1 7  41 8  o 49.79527 1.000523  24.89479       0.9940188 26.48219       1.469609  23.55614       1.349561  2.903530       2.001046  
1 1 1 7  41 9  o 57.32381 1.079120  33.12730       1.208970  33.63591       1.932399  32.80019       1.549726  0.5937157      2.158239  
1 1 1 7  41 10 o 26.45198 1.511595  7.110991       0.7955304 7.669422       1.201795  6.675452       1.061349  1.800638       3.023190  
1 1 1 7  41 11 o 64.11104 0.9644521 41.53109       1.236374  42.44620       1.770692  40.66047       1.727116  1.375343       1.928904  
1 1 1 7  41 12 o 33.05296 1.409725  11.08179       0.9191673 9.922819       1.186275  12.82294       1.454002  -4.141094      2.819450  
1 1 1 7  41 13 o 16.34070 2.836704  3.224642       0.8799472 3.222534       1.067500  3.229110       1.554283  0.8832445      5.673407  
1 1 1 7  41 14 o 16.43992 2.655160  3.362129       0.8446805 3.637071       1.050146  2.858258       1.421635  3.325735       5.310319  
1 1 1 7  41 15 o 8.642181 2.736393  0.7357162E-01  0.9738659 0.3532137      1.246669  -0.3642471     1.559901  0.2655478      5.472785  
1 1 1 7  42 0  o 23.28773 2.259964  5.715108       1.021079  5.591583       1.371856  5.868540       1.528929  0.000000       0.000000  
1 1 1 7  42 1  o 9.158056 2.594979  0.3987867      0.7272541 0.7976124      1.100319  0.8940416E-01  0.9691144 2.056102       5.189958  
1 1 1 7  42 2  o 75.20123 0.9553592 56.85118       1.436718  57.67132       2.050911  56.06087       2.013263  1.063095       1.910718  
1 1 1 7  42 3  o 9.887159 2.604809  0.7916718      0.6969113 0.5525248      1.000691  1.016902       0.9711364 -1.175406      5.209618  
1 1 1 7  42 4  o 31.60024 1.260075  10.00793       0.7907567 8.468432       1.072853  11.83902       1.170056  -5.306454      2.520150  
1 1 1 7  42 5  o 48.25767 1.419434  24.65844       1.190271  25.88808       1.396990  21.40118       2.273676  4.926033       2.838868  
1 1 1 7  42 6  o 35.68871 1.276854  13.05412       0.8981207 14.10654       1.205239  11.73999       1.346785  3.364540       2.553707  
1 1 1 7  42 7  o 69.57366 1.052456  48.31507       1.435462  51.41851       2.297372  46.32748       1.838538  3.521042       2.104913  
1 1 1 7  42 8  o 26.09912 1.457981  6.956554       0.7599128 6.762843       1.094898  7.136591       1.055540  -0.7351856     2.915962  
1 1 1 7  42 9  o 6.718127 2.171384  -0.5377386     0.6535594 -0.6751260     0.9474309 -0.4130086     0.9027336 -0.2131743     4.342768  
1 1 1 7  42 10 o 24.93951 1.535239  6.515355       0.7407633 4.687735       1.051762  8.314311       1.043482  -7.275465      3.070478  
1 1 1 7  42 11 o 29.31103 1.395988  8.876266       0.8173114 8.939978       1.187774  8.818973       1.126374  0.1543045      2.791977  
1 1 1 7  42 12 o 11.82384 2.795634  1.604459       0.8235152 2.155013       1.075707  0.8249243      1.280006  3.386827       5.591269  
1 1 1 7  42 13 o 10.12895 2.765514  0.9808736      0.8601061 1.591891       1.064592  -0.1676293     1.459561  2.863915       5.531029  
1 1 1 7  42 14 o 19.00103 3.152950  4.713991       1.175598  5.074399       1.743952  4.413815       1.591570  1.220560       6.305900  
1 1 1 7  42 15 o 11.21189 3.150155  1.642843       1.046350  1.462749       1.391755  1.876980       1.586898  -0.8588619     6.300311  
1 1 1 7  43 0  o 36.85075 2.230002  13.80739       1.471866  14.74317       2.753282  13.43295       1.741619  0.000000       0.000000  
1 1 1 7  43 1  o 42.45889 1.029030  18.12547       0.8729913 18.65338       1.268652  17.65068       1.203144  1.165684       2.058061  
1 1 1 7  43 2  o 55.40450 1.046592  31.02103       1.152360  31.98447       1.559315  29.86166       1.710527  1.951878       2.093184  
1 1 1 7  43 3  o 84.61225 1.277952  71.48770       1.973767  70.21410       2.343165  74.59909       3.662381  -2.193863      2.555905  
1 1 1 7  43 4  f 47.76946 1.243773  23.01745       1.185000  22.23400       1.606715  23.95190       1.754738  -1.749146      2.487546  
1 1 1 7  43 5  f 62.86308 1.063453  39.78025       1.320616  40.52674       2.041519  39.24311       1.731745  0.9262466      2.126905  
1 1 1 7  43 6  o 41.73810 1.129810  17.30076       0.9309394 19.42808       1.465537  15.86172       1.205364  4.188927       2.259621  
1 1 1 7  43 7  o 14.56472 2.338013  2.309305       0.7238009 1.017599       1.017207  3.634050       1.030134  -8.278463      4.676026  
1 1 1 7  43 8  o 51.89444 1.064468  27.20421       1.099064  27.65233       1.645816  26.84352       1.476546  0.7133980      2.128936  
1 1 1 7  43 9  o 43.90731 1.282072  19.84488       1.085920  20.54111       1.380499  18.71488       1.758732  2.261772       2.564143  
1 1 1 7  43 10 o 30.98884 1.344787  9.910645       0.8320305 9.526317       1.195783  10.27135       1.158442  -1.231972      2.689573  
1 1 1 7  43 11 o 27.35896 1.492296  7.765887       0.8107525 8.068030       1.230626  7.534177       1.077689  0.8240929      2.984591  
1 1 1 7  43 12 o 12.12675 2.922537  1.582114       0.8126811 1.181567       0.9898428 2.410521       1.423512  -3.422129      5.845074  
1 1 1 7  43 13 o 13.17882 3.239076  2.256453       1.000046  2.253926       1.182453  2.262801       1.874154  0.2858496      6.478152  
1 1 1 7  43 14 o 13.45018 3.191919  2.652058       1.046114  3.049566       1.340477  2.032838       1.673048  2.840506       6.383837  
1 1 1 7  44 0  o 47.60833 1.490883  22.99699       1.412033  23.07907       1.954213  22.90732       2.042547  0.000000       0.000000  
1 1 1 7  44 1  o 64.45664 1.080868  42.16448       1.379389  43.82640       1.847508  40.07113       2.073492  2.980755       2.161736  
1 1 1 7  44 2  f 40.79004 1.233007  16.73442       0.9882510 16.28110       1.275626  17.41494       1.562931  -1.288860      2.466014  
1 1 1 7  44 3  o 36.88272 1.174759  13.76499       0.8658122 14.00875       1.206399  13.50608       1.243322  0.6939316      2.349519  
1 1 1 7  44 4  o 48.71620 1.018000  23.87827       0.9903049 22.09375       1.368783  25.83836       1.434535  -3.824348      2.036000  
1 1 1 7  44 5  o 45.70009 1.196857  21.10078       1.068208  21.37085       1.709671  20.92783       1.368124  0.3580284      2.393713  
1 1 1 7  44 6  o 30.73062 1.400319  9.600636       0.8586740 9.047459       1.167088  10.25346       1.267858  -1.909082      2.800637  
1 1 1 7  44 7  o 11.22309 2.773573  1.229824       0.7730168 0.8898731      1.050223  1.631753       1.141950  -2.191994      5.547146  
1 1 1 7  44 8  o 57.95497 0.9974539 33.88961       1.154275  35.00439       1.690739  32.91647       1.579696  1.758621       1.994908  
1 1 1 7  44 9  o 13.59703 2.676616  1.922607       0.8459896 0.6332542      1.123877  3.608371       1.285083  -8.247281      5.353232  
1 1 1 7  44 10 o 37.81540 1.353348  14.78416       1.007531  14.86918       1.569393  14.72456       1.314088  -0.3961563E-01 2.706695  
1 1 1 7  44 11 o 20.56964 2.507552  4.904499       0.9929351 5.798078       1.398461  3.996041       1.410056  4.723274       5.015104  
1 1 1 7  44 12 o 18.83425 3.377690  4.623202       1.262451  3.918727       1.636129  5.659804       1.984681  -3.334179      6.755380  
1 1 1 7  44 13 o 18.85359 2.831077  4.897967       1.026406  5.943446       1.280309  3.017394       1.717127  8.568764       5.662155  
1 1 1 7  45 0  o 32.47649 2.112784  10.88396       1.312469  11.46872       2.142294  10.53260       1.660603  0.000000       0.000000  
1 1 1 7  45 1  o 44.14664 1.430176  19.62202       1.202886  20.43777       2.056510  19.19780       1.483041  1.171867       2.860352  
1 1 1 7  45 2  o 32.16428 1.595904  10.37111       0.9992802 11.40893       1.641196  9.759694       1.259701  2.383144       3.191809  
1 1 1 7  45 3  o 42.77834 1.451300  18.36464       1.190492  19.72861       2.020115  17.63889       1.473563  2.176891       2.902599  
1 1 1 7  45 4  o 28.67884 1.637547  8.566630       0.9236090 7.731296       1.395462  9.217833       1.232099  -2.691765      3.275095  
1 1 1 7  45 5  f 13.49092 2.831887  2.046489       0.8288128 1.601769       1.307539  2.345192       1.071596  -2.110156      5.663774  
1 1 1 7  45 6  o 73.79251 1.076499  55.10862       1.570906  55.58127       2.412663  54.76078       2.069746  0.4080887      2.152998  
1 1 1 7  45 7  o 19.49837 2.026569  3.982517       0.7854730 4.046538       1.180646  3.931679       1.052089  0.1843643      4.053138  
1 1 1 7  45 8  o 47.05458 1.195592  22.59967       1.105507  23.10403       1.740119  22.25833       1.431521  0.6779480      2.391183  
1 1 1 7  45 9  o 12.23287 2.767233  1.705451       0.8066397 0.9901246      1.158771  2.377970       1.123565  -3.908437      5.534465  
1 1 1 7  45 10 o 9.777269 2.829434  0.7375824      0.8632461 0.7048835      1.103498  0.7891511      1.385795  -0.7453003     5.658868  
1 1 1 7  45 11 o 23.25179 2.785207  6.583537       1.113911  6.680208       1.319636  6.343946       2.077503  2.940619       5.570414  
1 1 1 7  45 12 o 11.05113 3.261392  1.146231       1.247026  1.824807       1.632200  0.1947123      1.932782  2.116880       6.522785  
1 1 1 7  45 13 o 10.75208 3.264337  0.8164304      1.227687  2.857520       2.103584  -0.2378959     1.511876  4.863197       6.528675  
1 1 1 7  46 0  o 13.86247 3.417245  3.034250       1.215085  4.534149       1.483950  -0.1738551E-01 2.116677  0.000000       0.000000  
1 1 1 7  46 1  o 30.10338 1.473169  9.202243       0.8827372 9.910239       1.329526  8.644087       1.180480  2.022493       2.946338  
1 1 1 7  46 2  f 27.03196 1.463433  7.455073       0.7900214 7.271510       1.083166  7.663715       1.154789  -0.6877995     2.926867  
1 1 1 7  46 3  o 45.76485 1.038077  21.17811       0.9500457 20.83551       1.332145  21.53272       1.355289  -0.7527504     2.076154  
1 1 1 7  46 4  o 11.44548 2.708685  1.369406       0.7291086 1.229574       0.9992210 1.528633       1.066272  -0.9697952     5.417370  
1 1 1 7  46 5  o 21.12508 1.760482  4.614656       0.7432628 4.698099       1.037985  4.526847       1.064793  0.4233513      3.520963  
1 1 1 7  46 6  o 16.34452 2.441428  2.968516       0.7729657 3.573694       1.148776  2.467861       1.044873  3.200973       4.882856  
1 1 1 7  46 7  o 31.04766 1.383498  9.945806       0.8571265 10.92116       1.239831  9.052915       1.186262  2.962391       2.766995  
1 1 1 7  46 8  f 21.54850 2.076280  4.977894       0.8646972 4.856008       1.087822  5.187085       1.425116  -0.3057232     4.152560  
1 1 1 7  46 9  o 27.05091 2.090937  7.916763       1.001287  7.796344       1.171946  8.242284       1.926849  0.3683796      4.181874  
1 1 1 7  46 10 o 13.82618 3.488630  2.538053       1.123144  2.604123       1.248404  2.257490       2.572581  1.008727       6.977260  
1 1 1 7  46 11 o 25.57494 3.385015  8.488598       1.629244  7.920271       2.031471  9.513147       2.727586  -0.3179340     6.770030  
1 1 1 7  46 12 o 26.49279 2.570923  8.630669       1.354166  9.715445       2.055129  7.798285       1.800242  2.764011       5.141847  
1 1 1 7  47 0  o 43.87406 1.551269  19.56489       1.350897  18.00847       1.846532  21.35719       1.981517  0.000000       0.000000  
1 1 1 7  47 1  o 38.72682 1.159334  15.22596       0.8965794 15.36394       1.237708  15.07363       1.300533  0.4030037      2.318667  
1 1 1 7  47 2  o 18.59497 1.975309  3.586953       0.7314066 3.769669       1.096203  3.440344       0.9819352 0.7996273      3.950618  
1 1 1 7  47 3  o 24.65287 1.570427  6.229127       0.7636154 6.119368       0.9969261 6.384942       1.187811  -0.4161701     3.140854  
1 1 1 7  47 4  o 14.68991 2.656773  2.397197       0.7950543 1.720450       1.055283  3.285608       1.209102  -4.670809      5.313547  
1 1 1 7  47 5  o 12.73639 2.627052  1.658028       0.7991101 0.4841995      1.072498  3.122983       1.198136  -7.447439      5.254103  
1 1 1 7  47 6  o 52.84058 1.112361  28.57576       1.174353  28.43382       1.622900  28.73176       1.701457  -0.2228012     2.224723  
1 1 1 7  47 7  o 9.855217 2.703601  0.7535973      0.8482684 1.491467       1.046498  -0.6599923     1.448472  3.253988       5.407202  
1 1 1 7  47 8  o 27.61928 2.302138  8.606744       1.044457  8.706803       1.191069  8.273704       2.172966  2.434111       4.604276  
1 1 1 7  47 9  o 15.77564 3.345987  3.570344       1.340332  5.093045       1.714725  1.178727       2.148983  8.326121       6.691973  
1 1 1 7  47 10 o 12.85747 3.399147  2.069276       1.150023  2.962112       1.892290  1.546375       1.448145  2.893911       6.798293  
1 1 1 7  47 11 o 11.78951 3.409142  1.716978       1.314903  3.032871       1.974353  0.6680901      1.762702  3.791533       6.818284  
1 1 1 7  48 0  o 8.754265 3.669286  1.118270       1.088601  1.079105       1.489399  1.163189       1.595054  0.000000       0.000000  
1 1 1 7  48 1  o 19.49005 2.148141  4.142949       0.7986764 5.241180       1.157104  3.143610       1.103779  5.582876       4.296282  
1 1 1 7  48 2  o 11.09247 2.613293  1.166669       0.8123552 -0.3211173     1.232530  2.309374       1.080175  -6.049347      5.226586  
1 1 1 7  48 3  o 57.49607 1.030141  33.65436       1.184120  32.42471       1.652372  34.95246       1.697745  -2.169037      2.060282  
1 1 1 7  48 4  o 26.31458 1.538409  7.234886       0.8092974 7.537664       1.157224  6.945047       1.132224  1.099987       3.076817  
1 1 1 7  48 5  o 14.86353 2.634914  2.571347       0.7861791 3.032882       1.141820  2.155313       1.084076  2.654251       5.269827  
1 1 1 7  48 6  o 37.06665 1.579273  15.11907       1.048036  16.14613       1.261881  12.83529       1.881688  5.167103       3.158545  
1 1 1 7  48 7  o 62.01204 1.455326  41.15424       1.734874  44.08121       2.224915  36.61431       2.770955  6.641464       2.910652  
1 1 1 7  48 8  o 17.29545 3.590524  4.066656       1.324385  3.226692       1.737842  5.230304       2.045458  -4.066841      7.181048  
1 1 1 7  48 9  o 11.77613 3.398660  1.535127       1.258326  2.220415       1.928154  1.026752       1.660724  2.204251       6.797320  
1 1 1 7  48 10 o 12.23853 3.436703  1.085002       1.501371  -1.824385      2.022762  4.654126       2.240396  -8.338211      6.873405  
1 1 1 7  49 0  o 6.885999 3.214926  0.4992145E-01  1.105288  0.3400063      1.431996  -0.3775886     1.738411  0.000000       0.000000  
1 1 1 7  49 1  o 21.63311 2.129894  5.002675       0.9091843 4.608390       1.176775  5.586570       1.432045  -1.894728      4.259788  
1 1 1 7  49 2  o 28.41104 1.739594  8.498940       0.9837190 8.214873       1.319515  8.854366       1.475975  -0.9445572     3.479189  
1 1 1 7  49 3  o 43.50804 1.356637  19.56355       1.178991  20.34313       1.721145  18.87437       1.618293  1.592739       2.713273  
1 1 1 7  49 4  o 17.93496 3.033664  4.255212       1.145075  5.414299       1.465790  2.440196       1.834230  8.117670       6.067329  
1 1 1 7  49 5  o 29.14952 2.184371  9.539645       1.203538  9.944990       1.505627  8.822224       2.003049  2.753273       4.368743  
1 1 1 7  49 6  o 19.67331 3.224301  4.933846       1.226940  4.589281       1.586151  5.447165       1.935983  -1.141926      6.448602  
1 1 1 7  49 7  o 17.79119 3.104643  4.126414       1.437798  0.4754343      2.064105  7.567639       2.003935  -14.37447      6.209286  
1 1 1 7  49 8  o 12.06950 3.616535  1.518307       1.557816  2.463130       2.144730  0.4631704      2.266478  2.562628       7.233069  
1 1 1 7  49 9  o 12.08283 3.589645  2.104538       1.504852  2.633996       1.950096  1.325105       2.366082  1.748495       7.179291  
1 1 1 7  50 0  o 8.786716 3.907955  1.009669       1.274504  1.100399       1.455965  0.7122234      2.636215  0.000000       0.000000  
1 1 1 7  50 1  o 20.34354 2.708691  4.910185       1.003073  5.014234       1.223749  4.697143       1.751073  2.212744       5.417382  
1 1 1 7  50 2  o 27.33437 2.217565  8.017052       1.133362  7.541104       1.364867  9.074119       2.034053  -1.654409      4.435130  
1 1 1 7  50 3  o 14.34730 3.260286  2.674279       1.078128  3.021422       1.429860  2.216862       1.641328  2.148002       6.520573  
1 1 1 7  50 4  o 34.36728 2.105570  13.26191       1.421485  13.99281       1.886298  12.30134       2.162445  2.979931       4.211139  
1 1 1 7  50 5  o 17.21124 3.712393  4.235411       1.409035  3.609208       1.975424  4.883978       2.010389  -2.811275      7.424786  
1 1 1 7  50 6  o 17.93980 3.984597  5.138084       1.708858  6.534314       2.310342  3.451509       2.539222  6.400382       7.969195  
1 1 1 7  50 7  o 19.11455 3.682971  5.323499       1.556831  7.569462       2.247237  3.250816       2.158808  8.928701       7.365942  
1 1 1 7  50 8  o 11.56330 3.251615  1.101057       1.408355  3.759726       1.904866  -2.104549      2.091641  7.183577       6.503229  
1 1 1 7  51 0  o 9.187951 6.050041  0.8883870      2.721197  0.8883870      2.721197  0.8883870      2.721197  0.000000       0.000000  
1 1 1 7  51 1  o 17.65668 4.401294  5.098438       1.996416  3.631593       2.771685  6.680007       2.878034  -4.936363      8.802588  
1 1 1 7  51 2  o 21.04411 4.134439  6.740861       1.988732  10.19137       2.919386  3.753188       2.716541  11.31602       8.268878  
1 1 1 7  51 3  o 11.48047 5.081488  0.000000       0.000000  ?              ?         0.9848166      2.310561  ?              ?         
1 1 1 7  51 4  f 14.90447 5.982402  0.000000       0.000000  ?              ?         3.639186       2.718727  ?              ?         
1 1 1 7  51 5  o 14.08321 5.734652  0.000000       0.000000  ?              ?         2.961004       2.545952  ?              ?         
1 1 1 7  51 6  o 12.19640 5.459859  0.000000       0.000000  ?              ?         1.984276       2.748430  ?              ?         
1 1 1 7  51 7  o 16.76863 6.170681  0.000000       0.000000  ?              ?         5.592488       2.720870  ?              ?         
1 1 1 7  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7  52 2  o 26.98278 4.970253  0.000000       0.000000  ?              ?         9.837672       2.581670  ?              ?         
1 1 1 7  52 3  o 21.92220 5.830335  0.000000       0.000000  ?              ?         7.546498       2.601328  ?              ?         
1 1 1 7  52 4  o 14.91894 5.773374  0.000000       0.000000  ?              ?         4.088149       2.456661  ?              ?         
1 1 1 7  52 5  o 14.16138 5.949626  0.000000       0.000000  ?              ?         3.968864       2.856415  ?              ?         
1 1 1 7  53 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7  53 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7  53 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8  0  0  o 96.10280 1.674095  92.47881       3.211733  90.88771       4.457609  94.19648       4.631534  0.000000       0.000000  
1 1 1 8  0  1  o 139.6031 1.690497  194.7618       4.710738  188.7728       6.465192  201.5398       6.877926  0.000000       0.000000  
1 1 1 8  0  2  o 105.0997 1.288050  110.5298       2.704932  108.6773       3.772362  112.4902       3.880637  0.000000       0.000000  
1 1 1 8  0  3  o 172.0148 2.513232  301.0266       8.395113  275.3509       13.23148  318.3274       10.86129  0.000000       0.000000  
1 1 1 8  0  4  o 459.4431 7.831025  2121.859       71.79484  2068.124       98.92661  2181.656       104.3574  0.000000       0.000000  
1 1 1 8  0  5  o 451.0602 7.683117  2042.622       69.14971  1988.660       95.20812  2102.869       100.5994  0.000000       0.000000  
1 1 1 8  0  6  o 380.3281 5.243776  1468.904       35.19945  1409.760       67.54079  1490.959       41.24324  0.000000       0.000000  
1 1 1 8  0  7  o 366.4383 5.014228  1379.224       33.08168  1267.470       60.76187  1426.307       39.43955  0.000000       0.000000  
1 1 1 8  0  8  o 115.1071 1.773406  135.0384       3.882069  124.8202       6.449601  140.8436       4.861305  0.000000       0.000000  
1 1 1 8  0  9  o 102.2428 1.801560  104.6466       3.681376  104.6466       3.681376  104.6466       3.681376  0.000000       0.000000  
1 1 1 8  0  10 o 51.15124 1.281798  25.37369       1.099257  27.93001       2.346328  24.65480       1.244259  0.000000       0.000000  
1 1 1 8  0  11 o 156.5843 2.759242  245.9644       8.628899  243.8638       12.14541  248.1054       12.26164  0.000000       0.000000  
1 1 1 8  0  12 o 11.70031 3.659540  1.627357       0.6125080 1.978598       2.262018  1.599566       0.6362785 0.000000       0.000000  
1 1 1 8  0  13 o 82.35906 1.477600  67.04691       1.903357  69.57185       4.411710  66.46944       2.109812  0.000000       0.000000  
1 1 1 8  0  14 o 66.22810 1.496200  40.86413       1.611435  49.62009       3.671827  38.77542       1.793366  0.000000       0.000000  
1 1 1 8  0  15 o 80.91573 1.660873  68.04001       2.430909  60.11302       4.369267  71.59380       2.925501  0.000000       0.000000  
1 1 1 8  0  16 o 73.14783 1.595867  52.17122       1.971879  56.78952       4.156972  50.83033       2.239922  0.000000       0.000000  
1 1 1 8  0  17 o 18.40798 3.908610  3.133117       0.7838685 5.571268       2.733001  2.914568       0.8182465 0.000000       0.000000  
1 1 1 8  0  18 o 43.73347 2.003241  19.01705       1.140984  20.14733       3.265569  18.85988       1.217733  0.000000       0.000000  
1 1 1 8  0  19 o 17.89014 4.105834  4.423870       0.8144218 3.610906       3.172426  4.481228       0.8426628 0.000000       0.000000  
1 1 1 8  0  20 o 50.88829 1.997794  27.65436       1.230886  25.05079       3.678210  27.98269       1.306195  0.000000       0.000000  
1 1 1 8  0  21 o 13.14596 4.093271  2.399445       0.8131551 1.572411       3.717322  2.441007       0.8333372 0.000000       0.000000  
1 1 1 8  0  22 o 14.70916 4.170291  3.092745       0.9464936 3.259199       3.139938  3.076109       0.9926664 0.000000       0.000000  
1 1 1 8  0  23 o 26.97768 3.833676  11.81313       0.9775495 5.860686       2.723437  12.69345       1.047344  0.000000       0.000000  
1 1 1 8  0  24 o 6.051517 3.950764  0.1866868      1.130739  0.1866868      1.130739  0.1866868      1.130739  0.000000       0.000000  
1 1 1 8  1  0  o 62.73408 0.8184305 39.39474       1.025963  39.21728       1.438279  39.57859       1.463922  0.000000       0.000000  
1 1 1 8  1  1  o 197.4619 1.677511  390.0573       6.624547  392.2847       9.425846  387.8833       9.312237  1.113449       3.355021  
1 1 1 8  1  2  f 221.0847 1.877903  489.0507       8.302949  485.1953       11.65976  493.0169       11.82630  -1.766907      3.755806  
1 1 1 8  1  3  f 238.3926 2.864875  569.1626       13.65866  566.0020       19.20510  572.3974       19.42939  -1.337051      5.729750  
1 1 1 8  1  4  o 195.0176 2.145283  381.9150       8.242811  388.6223       10.81869  372.6336       12.72649  4.121353       4.290566  
1 1 1 8  1  5  o 145.8177 1.537992  213.1661       4.235985  211.2333       7.294961  214.1493       5.203037  -1.013443      3.075983  
1 1 1 8  1  6  o 210.3283 2.209713  437.8197       8.631686  455.3800       15.53886  429.9830       10.38058  5.998947       4.419425  
1 1 1 8  1  7  o 172.6601 1.482366  298.1695       5.118891  297.6139       7.227965  298.7286       7.250496  -0.3226929     2.964732  
1 1 1 8  1  8  o 173.8208 1.493835  301.8977       5.188947  309.7173       7.524129  294.8058       7.165555  4.287125       2.987670  
1 1 1 8  1  9  o 267.1241 2.789117  714.5388       14.05210  714.1370       24.32010  714.7402       17.21692  -0.2230835     5.578235  
1 1 1 8  1  10 o 122.3714 1.419359  150.5799       3.425959  145.0147       5.248975  154.7103       4.521976  -3.970673      2.838717  
1 1 1 8  1  11 o 110.7374 1.099031  122.6251       2.412943  123.1080       3.665130  122.2558       3.205670  0.3783417      2.198063  
1 1 1 8  1  12 o 85.76590 0.8845185 73.22785       1.469094  75.00146       2.412697  72.18282       1.852003  1.634918       1.769037  
1 1 1 8  1  13 o 25.02613 1.174908  6.420828       0.5556482 5.784515       0.9309068 6.773004       0.6925488 -1.981655      2.349816  
1 1 1 8  1  14 o 74.76838 1.016998  55.28146       1.351468  57.40088       2.621122  54.51398       1.577297  1.902191       2.033996  
1 1 1 8  1  15 o 72.25655 0.8920311 52.38308       1.249752  51.70536       2.027460  52.79839       1.587141  -0.7697449     1.784062  
1 1 1 8  1  16 o 21.76727 1.554374  4.760024       0.6748737 4.801538       0.9234976 4.712444       0.9886623 0.2105160      3.108748  
1 1 1 8  1  17 o 58.28938 0.8031273 33.99480       0.9351361 33.27369       1.285781  34.80455       1.362517  -1.307354      1.606255  
1 1 1 8  1  18 o 46.55514 0.8685737 21.49751       0.8015052 23.44057       1.236576  20.08979       1.052535  3.578358       1.737147  
1 1 1 8  1  19 o 92.13831 0.9539715 85.31653       1.757430  84.57298       2.451481  86.10268       2.520727  -0.8167572     1.907943  
1 1 1 8  1  20 o 20.34114 1.375551  4.191709       0.5592510 4.113000       0.7746048 4.277405       0.8082696 -0.3921623     2.751103  
1 1 1 8  1  21 o 23.59405 1.271408  5.662210       0.5998947 5.657515       0.8541286 5.666781       0.8427444 -0.2506065E-01 2.542816  
1 1 1 8  1  22 o 16.05022 2.075741  2.814332       0.6490842 3.087006       0.9048357 2.525265       0.9316383 2.056098       4.151482  
1 1 1 8  1  23 o 7.723003 2.440477  -0.9461765E-01 0.7352993 -0.4581711     1.330765  0.6515260E-01  0.8821964 0.6338658      4.880954  
1 1 1 8  1  24 o 12.39364 2.832184  1.968307       0.7993689 1.820638       1.102365  2.132064       1.160859  -0.8568983     5.664369  
1 1 1 8  2  0  o 329.9763 3.960399  1090.319       26.10600  1069.410       36.21271  1112.944       37.66928  0.000000       0.000000  
1 1 1 8  2  1  o 127.0780 1.092835  161.5156       2.777458  160.9218       3.914035  162.1178       3.941951  -0.4703674     2.185669  
1 1 1 8  2  2  o 326.7869 2.776005  1069.017       18.13734  1084.763       26.05124  1054.206       25.26687  4.661102       5.552010  
1 1 1 8  2  3  o 279.2734 3.356151  781.5574       18.74531  785.1689       26.61192  778.0006       26.40897  1.278870       6.712302  
1 1 1 8  2  4  o 177.2442 1.954532  315.1031       6.810091  318.6004       8.876067  310.0980       10.61824  2.416458       3.909064  
1 1 1 8  2  5  o 204.8375 2.016456  419.7251       8.259905  416.0217       11.57306  423.5703       11.79257  -1.840729      4.032912  
1 1 1 8  2  6  o 396.0626 4.092059  1586.201       31.04626  1517.671       51.40423  1625.554       38.95330  -13.78891      8.184118  
1 1 1 8  2  7  f 207.3040 1.822545  432.0164       7.375791  419.7884       11.70196  440.0764       9.500618  -4.905441      3.645090  
1 1 1 8  2  8  o 120.2159 1.097015  145.0841       2.566422  142.1449       4.116214  146.9534       3.282580  -2.003723      2.194029  
1 1 1 8  2  9  o 170.4050 1.791770  292.0350       5.805604  285.6402       9.828095  295.4624       7.195124  -2.908844      3.583539  
1 1 1 8  2  10 o 56.78743 0.8792542 32.60920       0.9231310 31.31690       1.642595  33.20578       1.116051  -1.667179      1.758508  
1 1 1 8  2  11 o 115.1720 1.285926  133.5529       2.818510  130.0108       4.756670  135.4695       3.498898  -2.390480      2.571852  
1 1 1 8  2  12 o 53.83787 0.7698097 27.93592       0.7834628 32.19274       1.391895  25.96177       0.9478803 5.780983       1.539619  
1 1 1 8  2  13 o 82.87279 0.9330590 68.20597       1.530216  72.14401       2.367732  65.38136       2.005260  4.071739       1.866118  
1 1 1 8  2  14 o 66.88396 0.9636926 44.95790       1.178546  44.29457       2.152765  45.24179       1.408339  -0.7274094     1.927385  
1 1 1 8  2  15 o 47.89209 0.9050368 23.01456       0.8439901 22.69073       1.353713  23.22047       1.079474  -0.5615654     1.810074  
1 1 1 8  2  16 o 58.26128 1.088047  33.74406       1.214629  34.93246       2.050385  33.10154       1.507636  1.536854       2.176093  
1 1 1 8  2  17 o 25.13640 1.563316  6.368709       0.7834232 5.754702       1.102682  6.994543       1.113250  -2.464668      3.126632  
1 1 1 8  2  18 o 35.35674 0.9511306 12.50830       0.6703284 12.93509       0.9960083 12.15492       0.9063036 1.092365       1.902261  
1 1 1 8  2  19 o 77.27354 0.8799090 59.95437       1.359304  59.17368       1.890452  60.79007       1.955912  -1.034126      1.759818  
1 1 1 8  2  20 o 47.53665 0.8314341 22.71943       0.7897179 22.87965       1.095378  22.54602       1.139593  0.3605003      1.662868  
1 1 1 8  2  21 f 27.31754 1.167855  7.518457       0.6343996 7.119781       0.8448114 8.033977       0.9606661 -1.622833      2.335711  
1 1 1 8  2  22 o 22.48218 1.500519  5.256752       0.6720260 5.407774       0.9195050 5.083588       0.9846082 0.7786102      3.001037  
1 1 1 8  2  23 o 30.01540 1.434917  8.723145       0.8083072 11.53684       1.485047  7.538640       0.9635410 6.067728       2.869834  
1 1 1 8  2  24 o 20.09269 2.074634  4.583132       0.7835691 6.166790       1.155716  3.235844       1.065983  7.349989       4.149268  
1 1 1 8  3  0  o 41.07288 0.8603593 16.72918       0.6580451 17.42872       1.174239  16.40891       0.7945281 0.000000       0.000000  
1 1 1 8  3  1  o 246.9755 2.269445  608.9586       11.05728  601.3053       14.44791  619.7788       17.17904  -3.702545      4.538889  
1 1 1 8  3  2  o 368.2502 3.233771  1352.560       22.91072  1381.469       38.19543  1336.313       28.63381  5.923950       6.467541  
1 1 1 8  3  3  o 104.1212 1.111155  108.7122       2.184032  107.5997       3.764387  109.2767       2.681484  -0.8129196     2.222309  
1 1 1 8  3  4  o 210.5832 2.311392  445.9976       9.617159  459.1217       12.75884  428.7306       14.63477  7.238083       4.622785  
1 1 1 8  3  5  o 317.8259 3.114307  1011.229       19.79534  1006.083       27.84505  1016.488       28.14709  -1.633057      6.228613  
1 1 1 8  3  6  o 175.5367 1.505686  308.1413       5.285420  311.5804       7.546827  304.8307       7.404629  1.921860       3.011373  
1 1 1 8  3  7  o 283.5677 2.489803  805.8392       13.70893  799.1129       22.18624  809.9934       17.43574  -1.954956      4.979606  
1 1 1 8  3  8  o 230.5227 2.029009  532.5524       9.081038  527.9722       14.69951  535.3792       11.54831  -1.633438      4.058018  
1 1 1 8  3  9  o 99.36450 1.170027  98.71009       2.278589  98.98595       3.603388  98.52628       2.941306  0.2266693      2.340053  
1 1 1 8  3  10 f 210.7051 2.141046  445.0494       8.164560  443.1810       15.21637  445.8047       9.675259  -0.7283325     4.282092  
1 1 1 8  3  11 o 20.64750 1.375928  4.169149       0.5605026 4.872571       0.8861970 3.700140       0.7236250 2.836201       2.751857  
1 1 1 8  3  12 o 75.99522 0.9559006 59.42913       1.354059  53.05726       2.324853  62.70024       1.665750  -6.355064      1.911801  
1 1 1 8  3  13 o 67.84324 0.9967130 46.68049       1.315754  43.18340       2.076191  49.02765       1.700928  -4.316422      1.993426  
1 1 1 8  3  14 o 103.4000 1.181930  105.8288       2.190977  109.7486       4.189112  104.3528       2.570597  2.557129       2.363860  
1 1 1 8  3  15 o 118.7313 1.153701  141.1958       2.663571  140.9830       4.301795  141.3280       3.391997  -0.1814880     2.307403  
1 1 1 8  3  16 o 80.42909 0.9113269 65.21007       1.443366  62.16008       2.217265  67.45297       1.901401  -3.307625      1.822654  
1 1 1 8  3  17 o 94.73231 1.083276  90.08466       2.051017  87.84634       2.930767  92.23306       2.871299  -2.321472      2.166552  
1 1 1 8  3  18 o 50.95662 1.112012  26.34866       1.074325  25.22988       1.818524  26.94846       1.331520  -1.754883      2.224023  
1 1 1 8  3  19 o 59.08910 0.9349509 34.98127       1.085336  35.69377       1.710523  34.50111       1.404204  0.9498711      1.869902  
1 1 1 8  3  20 o 25.59345 1.118707  6.587686       0.5712038 6.288239       0.7751862 6.943428       0.8449194 -1.259308      2.237414  
1 1 1 8  3  21 o 12.20712 2.386595  1.634703       0.5900995 1.683558       0.7387520 1.548581       0.9808434 0.4812469      4.773189  
1 1 1 8  3  22 o 9.117489 2.503697  0.5410809      0.6781882 1.206172       1.025803  0.2464543E-01  0.9039230 3.212371       5.007394  
1 1 1 8  3  23 o 14.24578 2.725037  2.346218       0.7652780 2.873411       1.308975  2.072446       0.9432812 1.965751       5.450073  
1 1 1 8  3  24 o 38.44988 1.146845  15.39682       0.8807728 15.53767       1.280768  15.27044       1.213180  0.2601776      2.293690  
1 1 1 8  4  0  o 262.0035 3.151512  684.8387       16.45058  654.6778       22.21812  721.4365       24.47447  0.000000       0.000000  
1 1 1 8  4  1  o 76.63707 0.8555086 59.63070       1.259953  55.38789       2.053813  62.19104       1.595447  -4.441055      1.711017  
1 1 1 8  4  2  o 283.2843 2.601405  800.8036       14.52110  819.3121       22.67888  787.9432       18.90444  5.469727       5.202810  
1 1 1 8  4  3  o 168.7247 1.443196  284.7741       4.869925  285.9861       6.917597  283.5833       6.857032  0.7115173      2.886391  
1 1 1 8  4  4  o 144.8235 1.248046  209.7302       3.614149  207.3492       5.048782  212.2326       5.175946  -1.685226      2.496092  
1 1 1 8  4  5  o 189.5472 1.874440  359.1501       7.101575  351.9882       9.838597  366.9400       10.26100  -3.940918      3.748880  
1 1 1 8  4  6  o 335.5689 2.847343  1126.478       19.10432  1143.455       27.40953  1110.437       26.64200  4.912750       5.694685  
1 1 1 8  4  7  o 615.9313 5.403766  3793.573       64.21786  3842.225       106.1206  3765.463       80.66367  5.794861       10.80753  
1 1 1 8  4  8  o 267.6912 2.471093  715.3722       13.04794  727.5510       20.27778  706.7667       17.04545  3.847717       4.942186  
1 1 1 8  4  9  o 132.0252 1.491012  175.1657       3.888278  169.0822       5.931040  179.7510       5.149186  -4.047791      2.982024  
1 1 1 8  4  10 o 348.8536 3.509542  1225.198       22.23487  1210.766       41.10509  1231.167       26.43643  -3.393646      7.019083  
1 1 1 8  4  11 o 230.2742 2.042498  529.6777       9.080542  536.5519       14.98438  525.6881       11.41540  2.261414       4.084996  
1 1 1 8  4  12 o 37.50887 0.8650151 13.92438       0.6133626 14.53010       1.067741  13.62606       0.7493368 1.200272       1.730030  
1 1 1 8  4  13 o 53.39920 0.9412625 27.99164       0.9121084 29.81632       1.720001  27.27776       1.075837  2.361923       1.882525  
1 1 1 8  4  14 o 121.4396 1.322014  147.8521       2.926395  147.2672       5.388486  148.0968       3.485136  -0.4110489     2.644029  
1 1 1 8  4  15 o 90.19716 0.9641355 81.74900       1.698398  79.92380       2.695688  82.95042       2.187076  -1.694839      1.928271  
1 1 1 8  4  16 o 69.39426 0.8880858 48.65914       1.213906  45.42929       1.850772  51.09761       1.608132  -4.097389      1.776172  
1 1 1 8  4  17 o 134.5700 1.349189  182.3079       3.620419  177.3907       5.286451  186.6513       4.968426  -3.482254      2.698377  
1 1 1 8  4  18 o 68.38431 1.131472  47.11830       1.505137  46.39507       2.419027  47.57517       1.922632  -0.9350662     2.262945  
1 1 1 8  4  19 o 63.54321 0.9359556 40.66625       1.177845  40.02332       1.787753  41.15939       1.565695  -0.9378815     1.871911  
1 1 1 8  4  20 o 46.90619 0.9832202 22.05753       0.8894842 22.57010       1.474330  21.76418       1.115336  0.7641029      1.966440  
1 1 1 8  4  21 o 27.53462 1.580189  7.589738       0.8590742 9.047357       1.351973  6.602663       1.112554  4.301460       3.160378  
1 1 1 8  4  22 f 20.48364 1.731256  4.159921       0.6879426 5.893002       1.129332  3.137379       0.8674663 6.455486       3.462513  
1 1 1 8  4  23 o 20.90317 1.994568  4.847878       0.8099673 4.301009       1.252740  5.240704       1.061742  -2.549797      3.989136  
1 1 1 8  4  24 o 13.32079 2.579265  2.227403       0.7056068 2.021913       0.9513032 2.478719       1.052041  -1.293850      5.158530  
1 1 1 8  5  0  o 147.8965 2.550936  218.8628       7.525153  226.4643       10.99640  212.1676       10.32011  0.000000       0.000000  
1 1 1 8  5  1  f 78.85770 0.9429215 62.59773       1.475701  58.20325       2.178975  66.32104       2.005689  -5.148216      1.885843  
1 1 1 8  5  2  o 276.3591 2.712642  763.7455       14.97721  786.7628       21.79857  743.1638       20.61306  7.866577       5.425283  
1 1 1 8  5  3  o 283.5926 2.411486  804.2841       13.66780  823.3106       19.78527  786.9161       18.90327  6.404449       4.822972  
1 1 1 8  5  4  o 250.5352 2.131340  627.2794       10.66934  645.0520       15.50280  611.2865       14.70614  6.730743       4.262680  
1 1 1 8  5  5  o 27.44769 0.7544488 7.276422       0.4030306 10.19165       0.6319183 5.277447       0.5232729 8.951626       1.508898  
1 1 1 8  5  6  o 178.2426 1.656137  318.6578       5.865726  326.1489       7.912709  309.5194       8.739567  4.669022       3.312273  
1 1 1 8  5  7  o 271.6679 2.313429  738.3621       12.56894  734.5054       17.66179  742.3193       17.89075  -1.436401      4.626858  
1 1 1 8  5  8  o 449.9238 4.132626  2020.870       36.61583  2072.299       57.33233  1985.443       47.58455  9.474823       8.265251  
1 1 1 8  5  9  o 285.6502 2.979862  817.3046       16.04364  817.4803       27.80784  817.2170       19.64250  -0.1163330     5.959724  
1 1 1 8  5  10 o 274.1931 2.882187  747.3349       14.72544  770.5116       26.28711  736.7364       17.77634  5.925690       5.764373  
1 1 1 8  5  11 o 61.50144 0.8784333 37.14616       0.9758142 39.43745       1.853308  36.26730       1.147802  2.568890       1.756867  
1 1 1 8  5  12 o 83.92631 1.042649  71.63755       1.674328  66.32034       2.753690  74.75635       2.108954  -5.037842      2.085298  
1 1 1 8  5  13 o 114.0889 1.348569  129.0451       2.968870  135.1552       4.943448  125.5980       3.713062  4.146744       2.697138  
1 1 1 8  5  14 o 72.69705 0.8609858 52.79571       1.220166  53.25867       1.962325  52.50389       1.557966  0.5091476      1.721972  
1 1 1 8  5  15 o 76.24559 0.9741839 58.20131       1.483633  54.40760       2.084262  62.09803       2.112369  -5.042229      1.948368  
1 1 1 8  5  16 o 80.59219 1.057505  65.25240       1.574336  64.63570       2.827639  65.52946       1.895263  -0.6160965     2.115011  
1 1 1 8  5  17 o 21.52182 1.634608  4.770430       0.6748711 4.266507       1.090776  5.082971       0.8590283 -1.933319      3.269217  
1 1 1 8  5  18 o 43.94678 1.145828  19.41945       0.9459033 19.36936       1.648740  19.44402       1.154869  -0.1575966     2.291655  
1 1 1 8  5  19 f 32.03715 1.188095  10.47301       0.7482429 9.594830       1.140577  11.13648       0.9913889 -2.443821      2.376191  
1 1 1 8  5  20 o 40.57352 1.026151  16.47250       0.8123686 17.16433       1.312429  16.04280       1.034330  1.303047       2.052302  
1 1 1 8  5  21 o 37.96955 1.243818  14.55034       0.9405477 15.64369       1.411561  13.67732       1.261349  2.522217       2.487637  
1 1 1 8  5  22 o 26.19971 3.508875  7.506475       1.160670  9.670366       3.460896  7.232259       1.232020  -0.1566830     7.017750  
1 1 1 8  5  23 o 9.951948 2.709780  0.8889625      0.7656820 1.447363       1.181545  0.4846887      1.005345  2.615387       5.419560  
1 1 1 8  5  24 o 29.74295 1.224287  9.035500       0.7068825 8.246940       0.8836224 10.43721       1.178092  -3.240204      2.448573  
1 1 1 8  6  0  o 53.76006 1.200633  28.75300       1.282494  31.73236       1.925036  26.37528       1.719722  0.000000       0.000000  
1 1 1 8  6  1  o 110.2109 1.252392  119.6724       2.655437  115.1063       3.299391  128.0689       4.474119  -5.870911      2.504784  
1 1 1 8  6  2  o 79.31042 0.9485586 63.28370       1.482010  65.22775       1.951837  60.63710       2.277377  2.896034       1.897117  
1 1 1 8  6  3  o 81.95214 0.7583752 67.08832       1.241776  65.49998       1.711078  68.85571       1.804953  -2.046997      1.516750  
1 1 1 8  6  4  o 216.4445 1.847753  468.5482       7.996743  463.0128       11.16176  474.3859       11.46244  -2.624832      3.695507  
1 1 1 8  6  5  o 277.1376 2.357833  767.6680       13.05742  749.7678       18.01789  787.4664       18.94927  -6.793243      4.715667  
1 1 1 8  6  6  o 384.5115 3.262388  1479.812       25.08850  1480.756       35.48490  1478.868       35.47610  0.2454529      6.524775  
1 1 1 8  6  7  o 334.6616 4.024868  1121.019       26.92554  1144.851       38.83961  1098.968       37.36039  6.834137       8.049737  
1 1 1 8  6  8  o 308.3746 2.622317  951.4607       16.16900  965.5563       23.18547  938.1150       22.56018  4.441895       5.244633  
1 1 1 8  6  9  o 91.95610 0.9495941 84.74223       1.740047  82.41710       2.552606  86.76054       2.378234  -2.362900      1.899188  
1 1 1 8  6  10 o 326.9186 2.866169  1078.834       18.36062  1031.573       28.67902  1111.659       23.90084  -12.38495      5.732339  
1 1 1 8  6  11 o 136.4006 1.312634  186.3346       3.552416  184.9309       5.362774  187.4322       4.742046  -0.9284210     2.625268  
1 1 1 8  6  12 o 219.9156 2.046521  484.7089       8.910995  484.6069       13.59706  484.7858       11.79772  -0.1091461     4.093041  
1 1 1 8  6  13 o 26.80064 1.364985  7.443635       0.6751494 6.514531       1.173642  7.903170       0.8253956 -2.602264      2.729970  
1 1 1 8  6  14 o 46.12042 0.9133478 21.33768       0.8233101 21.03837       1.306931  21.53461       1.060106  -0.5446053     1.826696  
1 1 1 8  6  15 o 130.9965 1.307216  171.8862       3.399410  172.0324       5.130177  171.7719       4.538920  0.7141113E-01  2.614432  
1 1 1 8  6  16 o 59.75282 1.042367  35.91978       1.224008  34.97403       1.904617  36.58521       1.597594  -1.368874      2.084733  
1 1 1 8  6  17 o 64.37759 1.001081  40.93519       1.193337  43.21715       2.167042  39.94203       1.429627  2.470577       2.002161  
1 1 1 8  6  18 o 47.61821 0.9780423 22.83182       0.9282336 21.44819       1.341760  24.10183       1.285488  -2.793610      1.956085  
1 1 1 8  6  19 o 58.98613 1.024131  35.10715       1.154618  34.70454       1.937101  35.32902       1.437981  -0.6383400     2.048261  
1 1 1 8  6  20 o 30.91570 1.258043  9.703955       0.7557498 9.572878       1.217935  9.786026       0.9637300 -0.4348373     2.516086  
1 1 1 8  6  21 o 39.21741 1.106416  15.72794       0.8482664 14.77365       1.325870  16.38923       1.103713  -2.147572      2.212833  
1 1 1 8  6  22 o 10.23602 2.613934  1.039937       0.6705971 0.9163879      0.8475643 1.246738       1.096551  -1.318275      5.227868  
1 1 1 8  6  23 o 18.35286 1.893137  3.653366       0.6923347 3.555991       0.9353529 3.771361       1.029643  -0.4328785     3.786273  
1 1 1 8  6  24 o 32.19548 1.188585  10.86355       0.7278169 10.80007       0.9005964 10.98307       1.235731  0.2160568      2.377170  
1 1 1 8  7  0  o 122.8132 2.160078  151.1430       5.297445  149.5995       7.406508  152.7597       7.579941  0.000000       0.000000  
1 1 1 8  7  1  f 217.2858 2.140209  472.4828       9.300097  469.5722       13.06120  475.4761       13.24538  -1.356049      4.280417  
1 1 1 8  7  2  o 114.7726 1.242779  131.5513       2.678757  131.1540       3.265482  132.3687       4.683980  -0.5191574     2.485559  
1 1 1 8  7  3  o 96.82823 0.9406057 94.03651       1.813290  97.00204       2.473287  90.58996       2.666340  3.311958       1.881211  
1 1 1 8  7  4  o 300.8612 2.556112  905.8725       15.38068  905.4305       21.73246  906.3162       21.77071  -0.1467896     5.112223  
1 1 1 8  7  5  o 211.8713 1.812711  449.0325       7.681157  451.0764       10.89089  447.0094       10.83492  0.9594269      3.625421  
1 1 1 8  7  6  o 491.5256 4.501807  2425.187       43.96074  2373.361       65.70229  2467.195       59.15210  -9.631927      9.003613  
1 1 1 8  7  7  o 164.4347 2.024235  268.8080       6.629170  288.6636       9.946145  252.9373       8.892255  10.85539       4.048469  
1 1 1 8  7  8  o 473.1481 4.336281  2248.281       40.72025  2277.975       54.52581  2210.835       61.22967  7.231232       8.672562  
1 1 1 8  7  9  o 308.6332 3.227580  952.2826       18.71867  961.8226       32.71633  947.6399       22.82351  2.054230       6.455160  
1 1 1 8  7  10 o 110.9319 1.320063  123.0481       2.916668  108.4382       4.053130  138.7389       4.200394  -13.65533      2.640125  
1 1 1 8  7  11 o 69.44931 0.8664744 48.02219       1.195529  50.11950       1.813479  46.41003       1.589953  2.667824       1.732949  
1 1 1 8  7  12 o 97.43605 1.113431  94.76465       1.969884  95.56674       3.662879  94.43826       2.336548  0.5514450      2.226863  
1 1 1 8  7  13 o 73.54871 0.9171374 54.15977       1.348236  52.39872       1.917379  55.88211       1.896185  -2.368576      1.834275  
1 1 1 8  7  14 o 45.79235 0.8966975 21.18329       0.8110771 19.48668       1.217661  22.53639       1.087428  -3.333469      1.793395  
1 1 1 8  7  15 o 74.79045 0.9485781 55.94612       1.411132  56.39966       2.112870  55.58091       1.895985  0.5396500      1.897156  
1 1 1 8  7  16 o 83.22153 1.117004  69.07857       1.785511  70.62786       2.988701  68.21871       2.226522  1.392326       2.234008  
1 1 1 8  7  17 o 62.32967 0.9766633 39.81353       1.156828  36.07023       1.918299  41.95285       1.450197  -4.764851      1.953327  
1 1 1 8  7  18 f 81.32533 0.9862368 66.42071       1.602506  62.84575       2.261952  70.02319       2.270644  -4.411629      1.972474  
1 1 1 8  7  19 o 39.63063 1.106880  15.99874       0.8396248 15.19258       1.388878  16.46304       1.054038  -1.680874      2.213759  
1 1 1 8  7  20 f 29.75879 1.267316  8.718439       0.7397917 10.27850       1.197330  7.755109       0.9408732 4.145990       2.534633  
1 1 1 8  7  21 o 42.66948 0.9449974 18.38121       0.8049246 18.43081       1.105793  18.32532       1.173931  0.1475754      1.889995  
1 1 1 8  7  22 o 40.16232 1.083512  16.50312       0.8583515 16.63778       1.127767  16.31771       1.323338  0.5354424      2.167023  
1 1 1 8  7  23 o 14.17835 2.710719  2.460419       0.7849935 2.331203       1.064596  2.614387       1.162098  -0.7221251     5.421438  
1 1 1 8  7  24 o 23.74466 1.614768  6.248484       0.7542613 6.776611       1.014452  5.595605       1.127921  2.722443       3.229537  
1 1 1 8  8  0  o 146.5926 2.206078  213.9900       6.045865  211.6777       7.333143  218.8976       10.68318  0.000000       0.000000  
1 1 1 8  8  1  o 136.9771 1.283831  188.1482       3.495987  183.0870       5.199580  192.3239       4.722871  -3.375168      2.567663  
1 1 1 8  8  2  o 148.2664 1.386048  220.0289       4.071331  220.9062       5.405237  218.8784       6.189607  0.6894684      2.772096  
1 1 1 8  8  3  o 224.2019 2.068941  501.5702       9.148255  494.8880       11.94270  511.0589       14.23131  -3.584946      4.137883  
1 1 1 8  8  4  o 87.43089 0.8838961 76.31403       1.529825  75.52612       2.019087  77.37603       2.344111  -1.056801      1.767792  
1 1 1 8  8  5  o 296.2811 2.722947  878.6238       15.97907  879.8860       21.18443  876.9579       24.33798  0.5218811      5.445894  
1 1 1 8  8  6  o 227.7809 1.948968  519.0109       8.878756  519.2810       12.55719  518.7406       12.55573  0.1186371      3.897937  
1 1 1 8  8  7  o 74.58723 0.8464745 55.87570       1.247560  57.28216       1.653312  54.01592       1.901172  2.190376       1.692949  
1 1 1 8  8  8  f 140.5891 1.749532  197.6961       4.919305  197.6961       4.919305  ?              ?         ?              ?         
1 1 1 8  8  9  o 42.89096 1.029967  18.32103       0.8812006 20.26689       1.291267  16.62491       1.205555  4.244900       2.059934  
1 1 1 8  8  10 o 220.7953 1.967620  485.2516       8.352550  498.3725       13.96620  477.9456       10.42173  4.548233       3.935240  
1 1 1 8  8  11 o 26.97488 1.279844  7.291360       0.6889774 7.110723       1.000645  7.454190       0.9500454 -0.6375999     2.559687  
1 1 1 8  8  12 o 130.5452 1.400157  168.3046       3.265933  175.7340       6.288661  165.5608       3.821728  3.829330       2.800314  
1 1 1 8  8  13 o 79.71281 0.9334760 63.60912       1.481712  63.27234       2.197570  63.88983       2.006373  -0.3918076     1.866952  
1 1 1 8  8  14 o 87.47588 1.158818  77.13198       1.999403  73.21970       3.050104  80.07981       2.647592  -3.935730      2.317636  
1 1 1 8  8  15 o 54.56347 0.9070113 29.91291       0.9642552 29.28583       1.541138  30.31631       1.236095  -0.9550629     1.814023  
1 1 1 8  8  16 o 23.84082 1.677518  5.667700       0.7720536 5.886869       1.281500  5.542827       0.9673055 0.6872578      3.355035  
1 1 1 8  8  17 o 82.81491 1.056839  69.72729       1.638940  66.14748       2.836875  71.52071       2.007939  -3.333740      2.113678  
1 1 1 8  8  18 o 99.45851 1.014076  99.24500       2.013109  97.86716       2.752429  100.8298       2.951964  -1.459671      2.028152  
1 1 1 8  8  19 o 69.98535 1.004686  49.41587       1.400276  51.08493       1.914397  47.49547       2.053490  2.593842       2.009371  
1 1 1 8  8  20 o 24.90911 1.426676  6.403675       0.6632676 6.589871       0.8116373 6.029357       1.150790  1.261202       2.853352  
1 1 1 8  8  21 o 20.87080 1.574915  4.411246       0.6518613 3.996004       0.8566223 4.982492       1.004733  -2.272062      3.149829  
1 1 1 8  8  22 o 35.05378 1.193322  12.90082       0.8154361 14.42927       1.085465  10.92083       1.235437  5.122509       2.386644  
1 1 1 8  8  23 o 15.57492 2.520339  2.820660       0.7646214 2.246348       0.9962064 3.644065       1.192840  -3.897252      5.040677  
1 1 1 8  8  24 o 20.04300 1.910502  4.563029       0.7643477 4.646449       1.057215  4.471674       1.106361  0.5585747      3.821003  
1 1 1 8  9  0  o 177.4711 2.680043  304.5177       8.571422  341.0987       16.50367  291.0056       10.03030  0.000000       0.000000  
1 1 1 8  9  1  o 258.6528 2.695338  672.7172       13.24195  660.0511       22.48408  679.4437       16.38509  -3.831390      5.390676  
1 1 1 8  9  2  o 149.7784 1.297758  224.0068       3.882508  231.5324       5.667331  217.3513       5.329609  4.731964       2.595516  
1 1 1 8  9  3  o 215.6614 1.992878  465.6208       8.517737  467.5978       11.32215  463.0429       12.92892  1.069427       3.985757  
1 1 1 8  9  4  o 598.5415 5.241515  3601.524       60.97039  3630.479       77.72241  3555.198       98.31161  6.682251       10.48303  
1 1 1 8  9  5  o 361.0383 3.170720  1300.617       22.06785  1289.793       27.67747  1319.508       36.56314  -4.030823      6.341441  
1 1 1 8  9  6  o 382.7369 3.344314  1475.682       25.05997  1514.375       32.52444  1419.151       39.31321  12.51312       6.688628  
1 1 1 8  9  7  o 210.4512 2.206071  444.9724       8.811170  448.9850       10.88971  437.3648       14.99436  2.798737       4.412142  
1 1 1 8  9  8  o 44.38764 0.9820796 19.38054       0.8431926 20.95572       1.405105  18.49406       1.054082  2.770973       1.964159  
1 1 1 8  9  9  o 78.00495 0.9034966 59.61365       1.340469  57.01637       1.640647  64.82889       2.324838  -5.002411      1.806993  
1 1 1 8  9  10 o 205.6389 1.922361  423.3568       7.832541  423.7409       11.92051  423.0650       10.39027  0.1291809      3.844723  
1 1 1 8  9  11 o 172.4469 1.562334  296.2563       5.196307  303.0901       8.616331  292.3502       6.514247  3.063766       3.124668  
1 1 1 8  9  12 o 197.9520 2.448204  0.000000       0.000000  ?              ?         392.5515       9.692537  ?              ?         
1 1 1 8  9  13 o 176.5650 1.673628  313.0949       5.878950  304.8970       8.710845  319.9525       7.967038  -4.295044      3.347256  
1 1 1 8  9  14 o 103.2169 1.196299  106.1027       2.243388  108.0498       4.176900  105.3133       2.659549  1.268105       2.392598  
1 1 1 8  9  15 o 25.56130 1.439406  6.708159       0.7156558 7.445099       0.9438052 5.711254       1.097724  3.400616       2.878812  
1 1 1 8  9  16 o 49.02869 0.8707566 23.88803       0.8362398 23.19491       1.071611  24.96741       1.337270  -1.792061      1.741513  
1 1 1 8  9  17 o 69.28236 0.9058948 47.83614       1.230539  46.73842       1.581968  49.51786       1.958067  -1.970093      1.811790  
1 1 1 8  9  18 o 50.99442 0.8155946 26.09138       0.8314362 27.02310       1.176646  25.16225       1.175012  1.824341       1.631189  
1 1 1 8  9  19 o 65.50740 0.8961178 43.11732       1.171291  43.12937       1.716227  43.10681       1.602525  -0.4295349E-02 1.792236  
1 1 1 8  9  20 o 53.10106 0.8638639 28.42834       0.9142749 31.16607       1.293904  25.69841       1.292058  5.147900       1.727728  
1 1 1 8  9  21 o 30.10732 1.421210  8.869651       0.7988632 8.208827       0.9550182 10.40949       1.457828  -3.367739      2.842420  
1 1 1 8  9  22 o 20.83315 1.765679  4.659310       0.7204089 4.976316       0.9515321 4.233555       1.102733  1.961935       3.531358  
1 1 1 8  9  23 o 8.599763 2.508629  0.4548658      0.7034799 0.8745451      1.051362  0.1146528      0.9466053 1.918613       5.017258  
1 1 1 8  9  24 o 8.720940 2.584752  0.6301466      0.7576138 0.6857089      1.017405  0.5609877      1.135084  0.3988361E-01  5.169504  
1 1 1 8  10 0  o 80.52239 1.356273  64.49055       2.020074  63.73633       2.427714  66.18804       3.642118  0.000000       0.000000  
1 1 1 8  10 1  o 82.24199 1.015842  66.92300       1.616365  64.89996       2.027610  70.44998       2.677230  -3.371208      2.031685  
1 1 1 8  10 2  o 417.2522 4.089423  1744.298       34.12303  1759.186       48.67187  1729.908       47.85305  3.494141       8.178846  
1 1 1 8  10 3  o 293.3001 3.226823  861.2795       18.55856  861.4543       23.99381  861.0191       29.28006  0.1403198      6.453645  
1 1 1 8  10 4  o 255.7404 2.576412  656.5629       11.96308  659.5267       14.21746  649.3763       22.13918  2.051163       5.152824  
1 1 1 8  10 5  o 191.4566 1.937188  370.9944       6.824683  377.9609       8.221124  355.5507       12.24037  5.874939       3.874376  
1 1 1 8  10 6  o 284.2305 3.789781  823.6044       17.73061  835.0532       20.09821  783.4185       37.65437  9.308258       7.579563  
1 1 1 8  10 7  o 276.7881 2.550665  767.0036       13.98243  768.6168       18.53709  764.8743       21.29729  0.7073669      5.101329  
1 1 1 8  10 8  o 147.8832 1.499970  218.5847       4.433414  224.0090       6.414270  213.6231       6.134661  3.508804       2.999941  
1 1 1 8  10 9  o 13.57855 1.875017  2.183494       0.4879822 3.126501       0.6328884 0.8009443      0.7663194 8.199377       3.750034  
1 1 1 8  10 10 o 84.49385 1.015273  72.57351       1.562092  74.29108       1.869661  68.60277       2.842763  3.378426       2.030546  
1 1 1 8  10 11 o 109.6205 1.030948  119.9309       2.255499  115.9722       3.072830  124.5552       3.321137  -3.910721      2.061897  
1 1 1 8  10 12 o 43.53915 1.207308  0.000000       0.000000  ?              ?         18.96556       1.051303  ?              ?         
1 1 1 8  10 13 o 55.25230 0.8660551 30.44208       0.9433189 29.95159       1.229367  31.14436       1.471032  -1.073948      1.732110  
1 1 1 8  10 14 o 95.98938 1.026576  92.42679       1.956956  90.50053       2.930713  93.97676       2.628925  -1.820961      2.053153  
1 1 1 8  10 15 o 29.15700 1.308794  8.312743       0.7492872 7.507199       0.9558077 9.597067       1.206877  -3.568901      2.617587  
1 1 1 8  10 16 o 61.04778 0.8798847 36.69764       1.044991  34.77062       1.316665  39.97744       1.717733  -4.238663      1.759769  
1 1 1 8  10 17 o 63.70909 0.9565812 40.69172       1.217983  40.49165       1.688844  40.90855       1.758225  -0.3201561     1.913162  
1 1 1 8  10 18 o 44.69594 0.8548658 20.04918       0.7613766 20.02428       1.033187  20.07877       1.126330  -0.4665375E-01 1.709732  
1 1 1 8  10 19 o 40.63940 0.8830661 16.54907       0.7113412 16.26575       0.9413348 16.92624       1.086101  -0.7850609     1.766132  
1 1 1 8  10 20 o 29.58180 1.127487  8.881110       0.6584722 9.118292       0.8713409 8.565316       1.005427  0.9772263      2.254973  
1 1 1 8  10 21 o 17.93683 1.984165  3.679625       0.6388870 5.032870       0.8664039 2.066787       0.9458612 8.528537       3.968329  
1 1 1 8  10 22 o 52.22251 1.039906  28.02042       1.078219  30.40726       1.484962  25.35884       1.568096  4.891014       2.079811  
1 1 1 8  10 23 o 7.694963 2.321892  0.1394025E-01  0.6808314 -0.7991771     0.9882386 0.7485283      0.9393060 -2.683237      4.643785  
1 1 1 8  11 0  o 235.6901 2.854360  555.8792       13.43879  567.2168       19.39344  545.4058       18.63960  0.000000       0.000000  
1 1 1 8  11 1  o 251.1210 2.142189  630.9551       10.75894  629.9066       15.19318  632.0100       15.23780  -0.4184113     4.284378  
1 1 1 8  11 2  o 69.73070 0.7738314 48.76804       1.075958  52.21925       1.505278  45.16264       1.538536  5.060005       1.547663  
1 1 1 8  11 3  o 369.7719 3.853775  1364.734       26.73407  1382.681       46.91460  1356.104       32.53302  3.399170       7.707550  
1 1 1 8  11 4  o 81.98282 0.8780625 67.33776       1.431444  68.41229       1.932286  66.03085       2.131008  1.452934       1.756125  
1 1 1 8  11 5  o 209.3759 1.945315  438.5842       8.065110  438.9309       10.68186  438.1245       12.30015  0.2022705      3.890630  
1 1 1 8  11 6  o 134.1529 1.458466  179.6831       3.692650  179.0214       4.522544  181.0064       6.395885  -0.7292023     2.916933  
1 1 1 8  11 7  o 187.9609 1.756318  354.1106       6.554264  359.2620       8.790592  347.6619       9.835419  3.094437       3.512636  
1 1 1 8  11 8  o 73.64786 0.9620140 54.11917       1.272894  53.95237       1.499308  54.54975       2.408897  -0.3992157     1.924028  
1 1 1 8  11 9  o 63.79057 0.9582587 41.29932       1.156854  42.63444       1.434494  38.81578       1.956471  2.997952       1.916517  
1 1 1 8  11 10 o 174.6254 1.577048  302.1989       5.261021  295.2578       6.500370  315.3789       8.957397  -5.708557      3.154095  
1 1 1 8  11 11 o 48.06704 0.8170413 23.11662       0.7846157 23.21390       1.086027  23.01040       1.134809  0.2123795      1.634083  
1 1 1 8  11 12 o 24.02856 1.338705  5.817101       0.6392839 5.304302       0.9291604 6.278049       0.8809340 -2.027822      2.677409  
1 1 1 8  11 13 o 88.52328 1.050101  78.42953       1.859099  77.53206       2.625282  79.33234       2.633061  -1.016632      2.100202  
1 1 1 8  11 14 o 83.80630 0.8905754 70.28886       1.492696  70.42029       2.106608  70.15632       2.115401  0.1577530      1.781151  
1 1 1 8  11 15 f 71.74527 0.9191325 51.02021       1.301914  54.64432       2.037274  48.51857       1.692628  4.253166       1.838265  
1 1 1 8  11 16 o 46.70967 0.8591577 21.70128       0.7989018 20.33209       1.068866  23.43437       1.202548  -3.311306      1.718315  
1 1 1 8  11 17 o 25.90434 1.257802  6.716589       0.6501062 7.129931       0.9607311 6.367456       0.8829623 1.460979       2.515605  
1 1 1 8  11 18 o 34.67318 1.090501  12.10560       0.7536144 11.98287       1.109781  12.21063       1.026615  -0.3450546     2.181001  
1 1 1 8  11 19 o 48.27966 0.9487270 23.00482       0.8769424 21.99863       1.081844  24.93274       1.497509  -2.951038      1.897454  
1 1 1 8  11 20 o 59.01408 0.8738458 35.08612       1.026255  35.48354       1.388442  34.60751       1.523650  0.7763557      1.747692  
1 1 1 8  11 21 o 28.00545 1.265600  7.982056       0.6919330 7.996343       0.8879653 7.959970       1.104032  0.1683235      2.531201  
1 1 1 8  11 22 o 8.003173 2.421478  -0.4424458E-01 0.7395571 -0.9002419     1.084221  0.7005698      1.011360  -2.578091      4.842955  
1 1 1 8  11 23 o 22.85614 1.580072  5.585791       0.7200234 6.071678       1.019231  5.101738       1.017305  2.118927       3.160143  
1 1 1 8  12 0  o 468.4864 5.629935  2200.469       52.71626  2193.982       74.33058  2207.034       74.77550  0.000000       0.000000  
1 1 1 8  12 1  o 208.2601 1.935664  434.1568       7.983491  435.7740       10.58642  432.0245       12.15644  0.9117279      3.871329  
1 1 1 8  12 2  o 102.0156 1.020845  103.9578       2.056401  103.3057       2.697418  104.8626       3.177607  -0.7613297     2.041690  
1 1 1 8  12 3  o 464.9764 4.258329  2170.055       39.32544  2125.570       58.87390  2205.893       52.84279  -8.718567      8.516659  
1 1 1 8  12 4  o 271.6353 2.317936  738.1851       12.59263  737.1024       17.78528  739.2736       17.83216  -0.3993225     4.635873  
1 1 1 8  12 5  f 381.9787 3.962809  1470.561       28.83368  1492.360       35.83805  1430.552       48.55151  8.260864       7.925617  
1 1 1 8  12 6  o 65.57040 0.7976687 43.11071       1.018467  43.49915       1.302657  42.49990       1.633517  0.7630920      1.595337  
1 1 1 8  12 7  o 271.4821 2.679018  737.5607       14.54202  748.2869       20.86551  727.4299       20.27812  3.832947       5.358036  
1 1 1 8  12 8  o 167.0606 1.725155  281.4409       5.261421  284.6369       6.288255  273.9808       9.607226  3.234894       3.450310  
1 1 1 8  12 9  o 272.7980 2.398072  751.3005       12.84388  778.5649       16.81609  713.1251       19.89848  12.07321       4.796144  
1 1 1 8  12 10 o 96.49803 0.9603257 93.14970       1.790958  93.13830       2.258731  93.16898       2.939150  -0.6568909E-02 1.920651  
1 1 1 8  12 11 o 199.9070 1.786913  400.8115       6.928375  402.4136       8.794432  398.1902       11.24895  1.137283       3.573826  
1 1 1 8  12 12 o 36.23803 1.088322  12.91564       0.7652887 12.25788       0.9604744 14.05928       1.266475  -2.477097      2.176644  
1 1 1 8  12 13 o 134.1645 1.408421  180.2135       3.778076  177.4406       5.265589  183.1558       5.423941  -2.123611      2.816843  
1 1 1 8  12 14 o 82.68741 0.9814123 68.83804       1.608060  71.85799       2.161925  65.09814       2.405863  4.095840       1.962825  
1 1 1 8  12 15 o 115.3341 1.173196  133.2469       2.681418  133.8108       4.081200  132.8187       3.556843  0.3951874      2.346392  
1 1 1 8  12 16 o 32.87765 1.080662  10.87081       0.7086826 11.48596       0.9870268 10.21625       1.018155  1.934021       2.161324  
1 1 1 8  12 17 f 34.86799 1.005116  12.19129       0.6976036 12.12042       0.9405574 12.27794       1.040049  -0.2140045     2.010232  
1 1 1 8  12 18 o 8.216955 2.301766  0.1326367      0.6238346 0.9219028      0.8801230 -0.6642522     0.8843629 3.591626       4.603533  
1 1 1 8  12 19 o 25.32368 1.286063  6.592220       0.6363723 7.115885       0.8374855 5.876770       0.9789053 2.488096       2.572125  
1 1 1 8  12 20 o 13.08468 2.470996  1.950627       0.6440653 2.174000       0.7737979 1.446886       1.162025  2.364198       4.941992  
1 1 1 8  12 21 o 18.09802 2.179550  3.492588       0.7663921 3.574798       1.155727  3.428064       1.023892  -0.2174377E-03 4.359099  
1 1 1 8  12 22 o 44.46136 1.132079  20.25201       0.9960628 20.44162       1.525230  20.11101       1.315267  0.2037811      2.264159  
1 1 1 8  12 23 o 10.40291 2.707565  1.226554       0.7437317 1.066864       1.029744  1.400696       1.075327  -0.9312334     5.415130  
1 1 1 8  13 0  o 224.1867 2.722847  502.2567       12.18164  486.8647       16.67922  519.8528       17.83354  0.000000       0.000000  
1 1 1 8  13 1  o 333.0963 2.833957  1110.362       18.87929  1113.944       26.79339  1106.829       26.60627  1.066284       5.667913  
1 1 1 8  13 2  o 365.9882 3.112543  1340.195       22.77719  1358.899       32.66192  1322.486       31.77982  4.965942       6.225085  
1 1 1 8  13 3  o 260.9268 2.579617  680.9783       13.45850  690.9692       19.29470  671.5114       18.78204  3.724701       5.159234  
1 1 1 8  13 4  o 381.4659 3.499353  1458.439       26.47057  1469.977       35.28666  1443.589       40.03056  3.511047       6.998706  
1 1 1 8  13 5  o 454.0870 6.072197  2098.073       44.98372  2118.917       50.77715  2022.044       96.97553  11.69400       12.14439  
1 1 1 8  13 6  o 108.2280 1.200167  117.5192       2.354924  118.0224       2.795650  116.2899       4.369657  0.8087158      2.400335  
1 1 1 8  13 7  o 164.4324 1.757990  273.3841       5.536863  280.8696       6.950709  260.3864       9.159100  6.253052       3.515980  
1 1 1 8  13 8  o 209.5845 1.956296  438.5468       8.086643  433.0137       10.56008  446.3920       12.57431  -3.156876      3.912593  
1 1 1 8  13 9  o 113.9706 1.214167  129.2030       2.757865  138.9356       4.116795  121.2794       3.714567  7.740143       2.428333  
1 1 1 8  13 10 o 61.48493 0.8312428 38.11718       1.008181  39.88986       1.338852  35.79556       1.532192  3.331909       1.662486  
1 1 1 8  13 11 o 140.4860 1.362225  196.7235       3.768735  192.8878       4.895699  202.3028       5.904528  -3.323898      2.724451  
1 1 1 8  13 12 o 152.4177 1.476231  232.5121       4.443657  231.6721       5.835308  233.6718       6.855902  -0.6182709     2.952463  
1 1 1 8  13 13 o 99.35382 1.291103  99.94582       2.530130  107.0958       3.388364  90.93481       3.803861  8.148994       2.582207  
1 1 1 8  13 14 o 27.60859 1.315466  7.721435       0.7180384 8.481116       0.9783751 6.834564       1.057108  2.985651       2.630933  
1 1 1 8  13 15 o 26.19399 1.363792  6.872941       0.7102039 6.784566       0.9509312 6.984413       1.067990  -0.3713722     2.727584  
1 1 1 8  13 16 o 55.84832 0.9344262 31.28567       1.024270  31.37573       1.327753  31.15329       1.609696  0.2243652      1.868852  
1 1 1 8  13 17 o 36.04016 1.012797  13.20275       0.7198108 14.38672       0.9701991 11.75307       1.073563  3.667030       2.025594  
1 1 1 8  13 18 o 29.09745 1.109191  8.598024       0.6387882 9.866822       0.8947527 7.279066       0.9122678 4.450489       2.218382  
1 1 1 8  13 19 o 39.87831 0.9437095 15.92145       0.7442927 15.48903       0.9762424 16.52171       1.150198  -1.254593      1.887419  
1 1 1 8  13 20 o 17.68688 1.937911  3.459278       0.6261774 3.947302       0.8016078 2.695322       1.002941  3.940338       3.875821  
1 1 1 8  13 21 o 34.14445 1.230149  11.88149       0.8380166 11.54607       1.139795  12.27615       1.236353  -1.009659      2.460298  
1 1 1 8  13 22 o 8.626577 2.507196  0.3654888      0.7036452 -0.5797277E-01 0.9287650 0.9360191      1.078048  -2.557427      5.014392  
1 1 1 8  13 23 o 9.199471 2.600170  0.7548780      0.7225438 0.5833927      0.9783293 0.9606603      1.071705  -1.060335      5.200341  
1 1 1 8  14 0  o 240.6280 2.919754  579.6539       14.04065  585.3607       20.04018  574.1517       19.67774  0.000000       0.000000  
1 1 1 8  14 1  o 361.6436 3.073502  1308.426       22.22390  1328.298       31.89303  1289.668       30.98530  5.332489       6.147003  
1 1 1 8  14 2  o 593.2983 5.031276  3527.132       59.69677  3552.650       85.03268  3502.332       83.82816  4.222656       10.06255  
1 1 1 8  14 3  o 443.8838 3.767815  1972.293       33.44316  1996.088       47.85843  1949.585       46.75251  5.225372       7.535630  
1 1 1 8  14 4  o 283.7357 2.966485  805.8149       15.87639  805.8858       19.45230  805.6736       27.47679  0.1217041      5.932969  
1 1 1 8  14 5  o 116.0283 1.062420  134.5718       2.464439  132.2139       3.427275  137.0964       3.546256  -2.103470      2.124840  
1 1 1 8  14 6  f 206.2607 2.057980  425.6906       8.489607  425.6372       12.00383  425.7439       12.00840  -0.2583313E-01 4.115960  
1 1 1 8  14 7  o 303.9398 2.676574  930.4355       15.89237  950.6159       20.51489  900.1495       25.13186  8.395111       5.353149  
1 1 1 8  14 8  o 231.5481 2.055909  537.5211       9.237334  539.9097       11.73479  533.6300       14.97793  1.420029       4.111818  
1 1 1 8  14 9  f 142.1123 1.309128  202.6157       3.616088  204.3625       4.610824  199.8247       5.828344  1.617264       2.618256  
1 1 1 8  14 10 o 106.8715 1.045875  114.1748       2.157542  113.9013       2.714805  114.6437       3.554667  -0.3332596     2.091749  
1 1 1 8  14 11 o 139.2679 1.540762  192.6453       3.982772  190.0221       4.792328  198.5027       7.161143  -2.966675      3.081523  
1 1 1 8  14 12 o 115.4724 1.098696  133.2657       2.535510  138.6474       3.671786  128.3604       3.505497  4.449699       2.197392  
1 1 1 8  14 13 f 104.5429 1.121241  109.0389       2.324195  112.2095       3.548615  106.6571       3.075696  2.638794       2.242481  
1 1 1 8  14 14 o 102.1549 1.186890  104.5624       2.422690  105.6800       3.365044  103.3597       3.490821  1.141457       2.373781  
1 1 1 8  14 15 o 98.82256 0.9967020 97.84314       1.969754  98.26218       2.770519  97.41479       2.801037  0.4307251      1.993404  
1 1 1 8  14 16 o 11.23886 2.355010  1.303409       0.5680698 1.402742       0.7926828 1.198532       0.8145058 0.7174482      4.710021  
1 1 1 8  14 17 o 46.71814 0.9445863 21.57917       0.8657952 20.36156       1.107679  23.49123       1.388066  -3.314819      1.889173  
1 1 1 8  14 18 f 15.92949 2.168561  2.551883       0.6694816 1.980837       0.8620609 3.419662       1.062692  -4.660007      4.337122  
1 1 1 8  14 19 o 14.16716 2.047190  2.117361       0.5587047 1.848076       0.7503479 2.452424       0.8369892 -2.062692      4.094379  
1 1 1 8  14 20 o 7.688687 2.296316  0.9245691E-01  0.6207938 0.4337820      0.8055143 -0.4068122     0.9742188 1.113217       4.592633  
1 1 1 8  14 21 o 49.64196 0.9677312 25.07918       0.9575382 25.88047       1.314803  24.17420       1.397285  1.764637       1.935462  
1 1 1 8  14 22 o 13.98848 2.600055  2.292055       0.7256334 2.130844       0.9346015 2.536725       1.151381  -0.9992800     5.200109  
1 1 1 8  14 23 f 24.64729 1.904674  6.715638       0.9298297 6.960527       1.250544  6.412858       1.390522  1.371376       3.809349  
1 1 1 8  15 0  o 31.54454 1.288251  10.02420       0.8057763 9.309983       1.110004  10.81984       1.171567  0.000000       0.000000  
1 1 1 8  15 1  f 195.2156 1.825118  381.0640       7.048478  380.2850       9.302998  382.1138       10.79973  -0.4602051     3.650236  
1 1 1 8  15 2  o 142.0517 1.263425  201.7797       3.588946  203.8819       5.126864  199.7597       5.025719  1.450577       2.526850  
1 1 1 8  15 3  o 287.9541 2.658660  828.9106       15.13371  824.2315       19.91395  835.3071       23.28350  -1.891663      5.317320  
1 1 1 8  15 4  o 243.9536 2.092070  595.4167       10.20716  598.1412       14.49081  592.7338       14.38002  1.107330       4.184140  
1 1 1 8  15 5  o 73.74403 0.8175878 54.32121       1.205096  56.36562       1.741510  52.44279       1.669309  2.659492       1.635176  
1 1 1 8  15 6  o 219.6059 1.964905  476.4409       8.224289  462.9528       10.12215  502.6428       14.10792  -8.988754      3.929811  
1 1 1 8  15 7  o 185.7003 1.668391  345.5316       6.011538  346.9718       7.635408  343.1831       9.750444  1.049622       3.336781  
1 1 1 8  15 8  o 229.0479 2.044923  523.0492       9.017922  517.1053       11.28297  533.5613       15.00492  -3.510681      4.089845  
1 1 1 8  15 9  o 7.685252 2.292907  -0.1196693     0.5836748 -0.4260246     0.7164348 0.4850025      1.006524  -3.278770      4.585814  
1 1 1 8  15 10 o 97.57825 0.9931441 94.91383       1.864136  94.00526       2.330456  96.52797       3.106215  -1.279083      1.986288  
1 1 1 8  15 11 o 88.35130 1.055035  78.38809       1.704467  78.78654       2.036246  77.45539       3.115422  0.7805481      2.110071  
1 1 1 8  15 12 o 79.09395 1.091568  61.19811       1.560012  59.40361       1.833156  65.91006       2.970490  -4.080978      2.183136  
1 1 1 8  15 13 o 89.26904 0.9622275 79.79459       1.716903  82.88123       2.425663  76.69571       2.430479  3.464691       1.924455  
1 1 1 8  15 14 o 43.15129 0.9935507 18.65230       0.8537312 18.74806       1.156327  18.53756       1.265803  0.2485657      1.987101  
1 1 1 8  15 15 o 14.30371 2.680168  1.999785       0.7596236 1.573725       0.9427273 2.788504       1.282660  -3.905757      5.360337  
1 1 1 8  15 16 o 13.09457 2.493624  1.826633       0.7341974 0.6674234      1.102157  2.751399       0.9844148 -6.217730      4.987247  
1 1 1 8  15 17 o 24.74330 1.482377  6.138582       0.7262627 7.452301       1.070915  5.019873       0.9882404 4.897894       2.964754  
1 1 1 8  15 18 o 41.52461 0.9973110 17.34645       0.8282399 17.50573       1.172852  17.18801       1.169770  0.3819199      1.994622  
1 1 1 8  15 19 o 38.76652 1.122646  15.15398       0.8220348 15.09758       1.008133  15.26589       1.420009  -0.8669662E-01 2.245292  
1 1 1 8  15 20 o 26.90474 1.281386  7.395051       0.6777672 7.567306       0.8871729 7.153591       1.050378  0.8434734      2.562773  
1 1 1 8  15 21 o 8.858248 2.496290  0.5715926      0.6690295 0.7575868      0.8774064 0.3132425      1.034083  0.6504927      4.992580  
1 1 1 8  15 22 o 11.35432 2.564055  1.212582       0.7011091 0.4060380      0.8859045 2.564428       1.146929  -6.393961      5.128109  
1 1 1 8  15 23 o 26.40141 1.591924  7.426035       0.8255503 9.521637       1.233317  5.724833       1.111215  6.981594       3.183847  
1 1 1 8  16 0  o 54.22381 1.290610  30.05700       1.357028  26.85823       2.119932  32.27771       1.766347  0.000000       0.000000  
1 1 1 8  16 1  o 241.3228 2.237170  584.1429       10.72949  597.0059       14.47638  568.4634       15.98280  5.925232       4.474339  
1 1 1 8  16 2  o 350.3662 3.230924  1229.357       22.41763  1232.256       29.71346  1225.525       34.15524  1.012909       6.461849  
1 1 1 8  16 3  o 59.64670 0.9324369 35.31676       1.107629  40.10105       1.642988  31.33082       1.499654  7.351273       1.864874  
1 1 1 8  16 4  o 166.5500 1.576138  277.4610       5.197496  277.5822       7.932524  277.3699       6.880058  0.5636597E-01  3.152276  
1 1 1 8  16 5  o 302.2460 3.176788  905.2146       17.83954  940.9683       32.08309  889.2126       21.46358  8.386566       6.353575  
1 1 1 8  16 6  o 207.2671 1.793595  429.7532       7.433006  424.3659       10.36715  435.4521       10.66280  -2.670349      3.587189  
1 1 1 8  16 7  o 152.4970 1.400456  232.9075       4.139173  233.6261       5.246594  231.7228       6.735964  0.6433563      2.800912  
1 1 1 8  16 8  o 269.8470 2.501215  730.9519       13.39842  740.0246       17.94999  719.5370       20.13399  3.862640       5.002430  
1 1 1 8  16 9  f 104.7733 1.095606  110.0937       2.280363  112.2535       3.069418  107.4330       3.406734  2.305969       2.191213  
1 1 1 8  16 10 o 40.38408 0.9649346 16.36357       0.7584546 16.52299       0.9695640 16.11218       1.217525  0.5131569      1.929869  
1 1 1 8  16 11 o 69.69354 0.9913808 49.53226       1.352282  59.56674       1.879267  38.75717       1.947383  14.93101       1.982762  
1 1 1 8  16 12 o 89.38318 1.159111  78.63680       1.891804  76.76767       2.242129  83.25592       3.524676  -3.588646      2.318223  
1 1 1 8  16 13 o 14.09244 2.650745  2.070356       0.7711554 2.535065       1.083636  1.593545       1.097656  2.949451       5.301489  
1 1 1 8  16 14 o 73.48226 0.9049096 54.12800       1.328121  55.98327       1.852890  52.16759       1.904673  2.598648       1.809819  
1 1 1 8  16 15 o 82.00038 1.041432  67.19919       1.653785  66.60341       2.087701  68.20287       2.709708  -0.9253922     2.082863  
1 1 1 8  16 16 o 65.11858 0.8774794 42.48442       1.140576  42.22416       1.562700  42.78113       1.668535  -0.4178238     1.754959  
1 1 1 8  16 17 o 35.21861 1.210472  12.45551       0.8511534 13.12505       1.249405  11.87568       1.162693  1.755562       2.420943  
1 1 1 8  16 18 o 25.52529 1.339799  6.567527       0.6718829 6.491528       0.8699458 6.679872       1.057709  -0.3159790     2.679598  
1 1 1 8  16 19 o 20.15103 1.622873  4.162948       0.6404008 4.227687       0.8298182 4.067609       1.007010  0.4791870      3.245746  
1 1 1 8  16 20 o 10.01906 2.624417  0.7908579      0.7171426 1.402389       1.080378  0.3091686      0.9588486 3.138082       5.248833  
1 1 1 8  16 21 o 27.54839 1.606784  7.948386       0.8849608 7.659924       1.237079  8.250726       1.266487  -1.041306      3.213568  
1 1 1 8  16 22 o 37.34038 1.244096  14.51728       0.9259245 15.03623       1.273952  13.93616       1.348102  1.554325       2.488191  
1 1 1 8  16 23 o 26.89124 1.625674  7.968182       0.8660722 7.300828       1.273332  8.542695       1.181445  -2.496647      3.251348  
1 1 1 8  17 0  o 309.5717 3.741192  958.6681       23.12518  986.8622       33.62328  933.3596       31.85611  0.000000       0.000000  
1 1 1 8  17 1  o 162.4879 1.753191  264.3055       5.378817  264.6947       6.599157  263.5350       9.284169  0.3752747      3.506383  
1 1 1 8  17 2  o 434.8110 4.001131  1886.332       34.24191  1851.215       44.43353  1937.683       53.73131  -9.787628      8.002262  
1 1 1 8  17 3  o 100.2382 0.9693580 100.4148       1.942374  102.7666       2.801175  98.23671       2.695723  2.259132       1.938716  
1 1 1 8  17 4  o 260.8147 2.749307  674.7927       13.35769  697.8627       23.87784  664.2843       16.11524  6.332489       5.498613  
1 1 1 8  17 5  o 174.1501 1.526110  302.8629       5.308426  313.7954       7.752887  293.2140       7.283569  5.904251       3.052221  
1 1 1 8  17 6  o 322.0927 2.749237  1039.322       17.71017  1038.751       25.03131  1039.894       25.06064  -0.1767273     5.498473  
1 1 1 8  17 7  o 119.3311 1.110405  142.4513       2.650093  141.6308       3.744811  143.2744       3.750793  -0.6885986     2.220810  
1 1 1 8  17 8  o 81.32617 0.9177058 66.20220       1.444976  66.32605       1.828093  65.99597       2.358932  0.2095184      1.835412  
1 1 1 8  17 9  o 168.4153 1.532073  284.8263       5.015206  287.7560       6.397821  280.1562       8.077369  2.297867       3.064146  
1 1 1 8  17 10 o 135.5324 1.506148  183.3658       3.816714  182.3328       4.630867  185.5538       6.739574  -1.122177      3.012296  
1 1 1 8  17 11 o 60.56664 0.9010687 36.81577       1.081518  37.57962       1.443846  35.83931       1.632459  1.440945       1.802137  
1 1 1 8  17 12 o 70.54590 0.9804398 49.83032       1.382654  51.33147       1.948356  48.30737       1.962456  2.143768       1.960880  
1 1 1 8  17 13 o 159.5237 1.477765  252.3562       4.492246  246.4411       5.534029  263.7844       7.692128  -5.323639      2.955530  
1 1 1 8  17 14 o 50.44038 1.060372  25.56593       1.025886  25.76082       1.283322  25.22091       1.707531  0.5615158      2.120744  
1 1 1 8  17 15 f 29.83941 1.482158  9.194914       0.8603565 10.94075       1.173191  7.163532       1.265501  6.341337       2.964316  
1 1 1 8  17 16 o 33.83714 1.219065  11.53419       0.8163279 13.73513       1.173395  9.469792       1.136417  6.297661       2.438130  
1 1 1 8  17 17 o 60.58859 0.8900464 36.67566       1.069648  35.49399       1.414535  38.25369       1.634647  -2.241501      1.780093  
1 1 1 8  17 18 f 73.93818 1.004088  54.89171       1.435209  54.54270       1.808534  55.48537       2.358712  -0.5164337     2.008176  
1 1 1 8  17 19 o 27.72879 1.253249  7.719440       0.6856363 7.402391       0.8912188 8.179205       1.073221  -1.336147      2.506497  
1 1 1 8  17 20 o 47.51750 1.029077  22.85309       0.9775695 22.59481       1.398108  23.10015       1.367387  -0.5442390     2.058154  
1 1 1 8  17 21 o 25.74526 1.763053  6.994679       0.9053046 6.329917       1.240853  7.751233       1.323753  -2.661339      3.526107  
1 1 1 8  17 22 o 16.63422 2.506381  3.177041       0.7765625 2.876944       0.9558436 3.759723       1.331899  -1.703597      5.012761  
1 1 1 8  17 23 o 22.91598 1.646031  5.785360       0.7527462 5.442476       1.072344  6.118446       1.056911  -1.507990      3.292061  
1 1 1 8  18 0  o 152.0596 1.918202  231.4946       5.829433  231.4886       8.228570  231.5005       8.259645  0.000000       0.000000  
1 1 1 8  18 1  o 184.3605 2.090201  335.8779       7.428469  324.9406       9.265857  355.5540       12.42796  -8.273468      4.180402  
1 1 1 8  18 2  o 261.8726 2.423794  687.5627       12.60355  675.3022       18.90385  697.3740       16.91049  -4.236298      4.847588  
1 1 1 8  18 3  o 140.8012 1.543929  198.1328       4.100389  198.8705       7.103888  197.7642       5.021294  0.3769226      3.087859  
1 1 1 8  18 4  o 96.00063 1.021957  92.01020       1.940272  93.29248       2.984364  91.07136       2.553630  1.154015       2.043914  
1 1 1 8  18 5  o 214.4877 2.007375  458.8698       8.488976  469.8395       13.23355  451.1997       11.06567  4.310242       4.014750  
1 1 1 8  18 6  o 53.06366 0.9713112 27.66006       0.9782395 26.62910       1.196036  29.74343       1.700226  -2.929878      1.942622  
1 1 1 8  18 7  o 167.7436 1.475449  281.5338       4.949058  278.8684       6.921692  284.3217       7.079009  -1.622681      2.950898  
1 1 1 8  18 8  o 131.2749 1.249077  170.7422       3.133525  166.8362       3.873260  178.1419       5.331046  -4.279694      2.498154  
1 1 1 8  18 9  o 136.8988 1.472544  189.6884       3.689965  192.8560       4.425059  182.4583       6.685366  3.856735       2.945087  
1 1 1 8  18 10 o 49.99782 1.024299  25.79202       0.9316456 26.99800       1.121643  23.10887       1.673041  3.902622       2.048598  
1 1 1 8  18 11 o 39.97139 1.133352  15.89829       0.9030479 14.85193       1.218219  17.17461       1.345442  -2.901688      2.266704  
1 1 1 8  18 12 o 50.01895 0.9444204 25.34413       0.8989431 26.07310       1.120293  24.02614       1.506366  2.057735       1.888841  
1 1 1 8  18 13 o 54.49291 0.9276109 29.72711       0.9611263 29.73689       1.187682  29.70855       1.636042  0.4188156E-01  1.855222  
1 1 1 8  18 14 o 90.15080 0.9775619 81.41389       1.761781  84.67802       2.504296  78.21544       2.478966  3.582710       1.955124  
1 1 1 8  18 15 o 18.25377 2.449527  3.430197       0.8408484 3.223581       1.063171  3.775297       1.374022  -1.355295      4.899055  
1 1 1 8  18 16 o 56.30181 1.008288  31.85492       1.129651  32.22763       1.527948  31.40559       1.677664  0.7492790      2.016577  
1 1 1 8  18 17 o 58.06210 1.053921  33.62719       1.198086  32.56903       1.533368  35.28571       1.919695  -2.262386      2.107842  
1 1 1 8  18 18 f 50.33657 0.9179550 25.21926       0.9093963 24.10158       1.174031  26.89574       1.437871  -2.718861      1.835910  
1 1 1 8  18 19 o 13.01201 2.417506  1.641308       0.6359502 1.050811       0.7878348 2.745655       1.077406  -5.706189      4.835013  
1 1 1 8  18 20 o 18.40499 2.126187  3.984769       0.6982344 5.560111       0.9373804 2.021257       1.046514  9.838666       4.252374  
1 1 1 8  18 21 o 7.090302 2.278201  -0.4041925     0.7040693 -0.5228019     0.9544969 -0.2626344     1.042756  -0.7358847     4.556402  
1 1 1 8  18 22 o 12.54696 2.541896  1.975712       0.7247357 2.641540       0.9533240 1.063994       1.115551  4.905423       5.083792  
1 1 1 8  19 0  o 119.6405 1.936118  144.4558       4.395810  139.9795       7.432378  146.8640       5.451500  0.000000       0.000000  
1 1 1 8  19 1  o 278.2777 2.388241  774.9828       13.29154  778.6991       18.87981  771.3307       18.71543  1.321960       4.776483  
1 1 1 8  19 2  o 106.3497 1.181327  112.7068       2.506077  107.6479       3.397727  118.7424       3.711246  -5.213997      2.362655  
1 1 1 8  19 3  f 253.1682 2.514682  639.9332       12.70617  667.8875       18.71449  616.0270       17.30647  10.21904       5.029364  
1 1 1 8  19 4  o 148.2893 1.325017  219.8598       3.928177  224.2240       5.652398  215.7831       5.463004  2.844116       2.650033  
1 1 1 8  19 5  o 85.61295 0.9656987 73.50921       1.642763  75.16673       2.214995  71.48293       2.449031  2.153473       1.931397  
1 1 1 8  19 6  o 141.7039 1.378184  199.7310       3.838583  194.7404       4.958719  207.1933       6.063596  -4.377335      2.756368  
1 1 1 8  19 7  o 118.3106 1.190670  140.2430       2.789684  141.4555       3.703577  138.6528       4.241283  1.193222       2.381339  
1 1 1 8  19 8  o 101.6877 1.191814  105.1738       2.230267  107.9686       2.692569  99.06544       3.980643  4.401413       2.383629  
1 1 1 8  19 9  o 70.49213 0.9169368 49.81279       1.269070  50.23775       1.648540  49.19459       1.988303  0.7460556      1.833874  
1 1 1 8  19 10 o 41.72318 1.035134  17.42956       0.8560087 17.48193       1.137772  17.36125       1.299429  0.1488380      2.070268  
1 1 1 8  19 11 f 73.35506 0.9536877 53.90487       1.379011  54.18830       1.806146  53.50868       2.135369  0.4718933      1.907375  
1 1 1 8  19 12 o 89.61505 0.9794292 80.67223       1.698570  81.55289       2.152554  79.21899       2.765179  1.322166       1.958858  
1 1 1 8  19 13 o 204.2240 2.120551  421.5117       7.854996  424.4197       9.337414  414.4717       14.52844  2.913528       4.241103  
1 1 1 8  19 14 o 119.6447 1.253282  143.6463       2.986785  142.7455       4.420520  144.4031       4.051471  -0.7235489     2.506563  
1 1 1 8  19 15 o 24.68501 1.823219  5.891400       0.8361787 5.485625       0.9959060 6.860927       1.539413  -2.683107      3.646439  
1 1 1 8  19 16 o 23.89563 1.667862  5.771230       0.7952426 5.746651       1.163484  5.792781       1.089449  -0.1129169     3.335724  
1 1 1 8  19 17 o 76.45688 1.089055  58.50289       1.645009  56.59034       2.148888  61.21020       2.556679  -2.926186      2.178110  
1 1 1 8  19 18 o 60.25467 0.9226030 36.39224       1.101308  35.54956       1.453072  37.52972       1.688212  -1.587044      1.845206  
1 1 1 8  19 19 f 31.67530 1.295622  10.24429       0.8180203 10.96002       1.141772  9.489449       1.172553  2.336252       2.591243  
1 1 1 8  19 20 o 43.20830 1.063829  19.07667       0.9117629 20.04609       1.233772  17.91019       1.353365  2.534092       2.127658  
1 1 1 8  19 21 o 24.93866 1.738909  6.523006       0.8413058 6.244124       1.059172  6.999742       1.384822  -1.095434      3.477819  
1 1 1 8  19 22 o 10.78810 2.672957  1.267161       0.7214274 0.7608370      0.9374405 2.002558       1.129771  -3.571392      5.345915  
1 1 1 8  20 0  o 244.0653 3.674834  585.2022       16.47042  627.5703       30.40756  567.6106       19.59364  0.000000       0.000000  
1 1 1 8  20 1  o 144.1661 1.500278  207.6137       4.320722  214.1015       6.296918  201.8414       5.939574  4.248550       3.000556  
1 1 1 8  20 2  o 326.8057 3.445076  1053.867       20.77351  1113.911       37.97839  1028.234       24.81473  12.78342       6.890152  
1 1 1 8  20 3  o 124.4376 1.246113  155.4569       3.089430  163.7048       4.263978  146.3422       4.482432  6.978630       2.492226  
1 1 1 8  20 4  o 111.1967 1.140079  123.5946       2.507273  123.0662       3.304919  124.3110       3.848464  -0.5541916     2.280159  
1 1 1 8  20 5  o 162.3330 1.553258  264.1210       5.000207  266.9888       6.671690  260.4457       7.552700  2.029541       3.106516  
1 1 1 8  20 6  o 107.0071 1.111648  114.8814       2.358569  117.1835       3.153450  111.9584       3.553268  2.447159       2.223295  
1 1 1 8  20 7  o 55.27608 1.065749  32.16965       1.102981  36.23285       1.394690  25.38516       1.802200  9.818424       2.131498  
1 1 1 8  20 8  o 41.71608 1.075506  17.45713       0.8942534 18.06320       1.228418  16.77385       1.304323  1.546864       2.151011  
1 1 1 8  20 9  o 50.56869 1.098126  25.16440       1.042275  24.39375       1.261789  26.81967       1.849228  -2.383797      2.196253  
1 1 1 8  20 10 o 52.94027 0.9690096 27.90974       1.012791  27.23069       1.322582  28.87251       1.574818  -1.544464      1.938019  
1 1 1 8  20 11 o 48.99644 1.015827  24.21011       0.9636700 24.78542       1.226398  23.28158       1.558037  1.544720       2.031655  
1 1 1 8  20 12 o 59.76768 1.076923  36.23479       1.149091  36.82983       1.355008  34.71107       2.168327  1.802254       2.153846  
1 1 1 8  20 13 o 25.17187 1.514033  6.675549       0.6899710 7.187764       0.8357104 5.578886       1.222831  3.226204       3.028065  
1 1 1 8  20 14 o 32.82853 1.294821  10.96457       0.8326738 11.66708       1.094917  10.00101       1.282321  2.556894       2.589643  
1 1 1 8  20 15 f 42.95821 1.319316  17.92790       1.003722  17.25291       1.163065  19.89750       1.986751  -2.965103      2.638631  
1 1 1 8  20 16 o 49.06503 1.099766  24.42844       1.015552  24.88174       1.247885  23.53942       1.747579  1.454906       2.199531  
1 1 1 8  20 17 o 24.53011 1.469870  6.059439       0.7132901 5.863668       0.9355187 6.331278       1.102385  -0.9012890     2.939740  
1 1 1 8  20 18 o 20.87943 1.877372  4.190212       0.7211353 2.678061       0.9027849 6.856026       1.198675  -10.05139      3.754744  
1 1 1 8  20 19 o 9.874147 2.676401  0.7816240      0.7405877 0.7086022      1.020319  0.8629309      1.076648  -0.5339346     5.352802  
1 1 1 8  20 20 o 22.15747 2.361980  4.780328       0.9715739 3.881400       1.143070  7.120162       1.844179  -6.321987      4.723959  
1 1 1 8  20 21 o 30.58848 1.446819  9.787777       0.8843416 9.762033       1.224965  9.815800       1.278017  -0.2799416E-01 2.893638  
1 1 1 8  20 22 o 15.54486 2.668767  3.102329       0.8268652 3.463793       1.018060  2.401717       1.417362  4.153413       5.337534  
1 1 1 8  21 0  o 85.05324 1.267734  72.43623       2.153797  71.87963       3.006824  73.02274       3.086599  0.000000       0.000000  
1 1 1 8  21 1  o 101.7149 1.086706  102.6237       2.170937  107.9353       3.447484  99.13328       2.794629  4.321060       2.173412  
1 1 1 8  21 2  o 25.62879 1.486874  6.633313       0.7506198 6.176953       1.143412  6.978932       0.9950563 -1.566471      2.973749  
1 1 1 8  21 3  o 227.4622 1.967200  517.9112       8.949269  518.0059       12.65810  517.8164       12.65425  0.4158020E-01  3.934399  
1 1 1 8  21 4  o 84.39590 0.9789678 71.42058       1.637935  69.88099       2.471982  72.62553       2.186906  -1.628876      1.957936  
1 1 1 8  21 5  o 169.7887 1.931134  290.4859       6.497351  304.6069       8.749721  273.1274       9.701020  9.292587       3.862267  
1 1 1 8  21 6  o 119.5028 1.207924  143.2762       2.873418  138.5103       4.234446  147.3439       3.911943  -3.701546      2.415847  
1 1 1 8  21 7  o 48.70026 0.9474519 23.29805       0.9088867 26.14216       1.443289  21.42896       1.170022  4.834759       1.894904  
1 1 1 8  21 8  o 45.48922 0.9758621 20.61362       0.8857477 22.58944       1.299703  18.90018       1.210338  4.053371       1.951724  
1 1 1 8  21 9  o 82.91550 0.9525650 69.13785       1.528510  70.18936       1.939287  67.41323       2.483594  1.687057       1.905130  
1 1 1 8  21 10 o 107.7606 1.147865  116.3679       2.446507  117.1216       3.234102  115.3595       3.740687  0.8330841      2.295729  
1 1 1 8  21 11 o 143.4981 1.615482  206.6364       4.351223  207.0635       5.308896  205.7622       7.594793  0.5719147      3.230965  
1 1 1 8  21 12 o 88.44888 1.001855  78.42952       1.700595  78.71766       2.126595  77.91843       2.832309  0.4787521      2.003709  
1 1 1 8  21 13 o 77.60537 1.093770  60.60584       1.517398  60.91558       1.785615  59.80082       2.878650  0.7930450      2.187541  
1 1 1 8  21 14 o 82.66628 0.9875099 68.42941       1.598239  68.10049       2.057398  68.92996       2.538030  -0.4572525     1.975020  
1 1 1 8  21 15 o 21.07950 1.898458  4.642608       0.7045327 4.821760       0.8297967 4.179929       1.333523  1.628775       3.796915  
1 1 1 8  21 16 o 17.07764 2.205740  3.010546       0.7227502 1.944348       0.9684053 4.351163       1.085902  -7.195045      4.411480  
1 1 1 8  21 17 o 14.83103 2.373985  2.439089       0.7069278 3.090809       0.9331160 1.561108       1.083049  5.118780       4.747969  
1 1 1 8  21 18 o 9.132243 2.510525  0.3799967      0.6987450 -0.2622829     0.9415299 1.167447       1.042518  -3.675488      5.021049  
1 1 1 8  21 19 o 12.81081 2.430098  1.878511       0.6795155 2.557865       0.8906826 0.9324605      1.051071  5.149248       4.860195  
1 1 1 8  21 20 o 15.70409 2.482807  2.648381       0.7495425 1.969897       0.9422671 3.817459       1.236875  -5.247055      4.965613  
1 1 1 8  21 21 o 18.67491 2.046967  3.710008       0.7311817 2.869725       0.9390651 5.003836       1.165255  -5.568383      4.093934  
1 1 1 8  21 22 o 23.76604 1.688756  6.046732       0.7951646 5.364374       1.041485  7.000407       1.231251  -3.085842      3.377511  
1 1 1 8  22 0  o 14.94415 2.851913  2.703431       0.9682262 5.193234       1.413744  0.5039618      1.328762  0.000000       0.000000  
1 1 1 8  22 1  o 15.45663 2.241972  2.598429       0.6746596 3.437015       0.9034684 1.541363       1.014355  6.150542       4.483944  
1 1 1 8  22 2  o 60.24237 1.002205  36.17592       1.205413  33.86596       1.649724  38.82176       1.765590  -4.112076      2.004410  
1 1 1 8  22 3  o 46.12307 0.9213263 21.22176       0.8487438 22.60957       1.237346  19.98853       1.166404  2.840652       1.842653  
1 1 1 8  22 4  o 100.5954 0.9999584 101.2197       2.011725  102.2714       2.862037  100.1926       2.828280  1.032852       1.999917  
1 1 1 8  22 5  o 93.03024 1.021824  86.58067       1.880229  86.57300       2.481544  86.59100       2.881047  -0.3982544E-02 2.043648  
1 1 1 8  22 6  o 98.83419 0.9895287 97.67803       1.955481  99.76691       2.804583  95.70174       2.727944  2.055389       1.979057  
1 1 1 8  22 7  o 85.35022 1.005979  73.16790       1.690896  74.57542       2.217959  71.21456       2.612851  1.976204       2.011957  
1 1 1 8  22 8  o 158.7272 1.419387  252.0062       4.502864  259.6476       6.516225  245.0225       6.229471  4.597382       2.838773  
1 1 1 8  22 9  f 49.92185 0.9769928 24.94615       0.9745905 24.75795       1.405527  25.12044       1.352556  -0.3643608     1.953986  
1 1 1 8  22 10 o 135.8856 1.492207  186.4119       3.684825  188.4438       4.389478  181.5626       6.780933  2.633499       2.984415  
1 1 1 8  22 11 o 108.2256 1.159313  117.4637       2.480414  118.5231       3.276839  116.0422       3.795765  1.166618       2.318626  
1 1 1 8  22 12 o 101.4130 1.225477  102.5323       2.224030  101.9026       2.611463  104.1950       4.243319  -1.041374      2.450955  
1 1 1 8  22 13 o 62.78501 1.066754  39.40755       1.337890  41.87397       1.947201  37.20197       1.841356  3.713169       2.133509  
1 1 1 8  22 14 o 37.25188 1.088390  14.15624       0.7634922 14.64911       0.9428037 13.21720       1.301351  1.960838       2.176779  
1 1 1 8  22 15 o 10.61378 2.999667  0.6265647      0.9602743 0.7157464      1.286348  0.5143059      1.443214  -0.3239727E-01 5.999334  
1 1 1 8  22 16 o 30.57979 1.369931  9.446476       0.8301100 9.445032       1.101941  9.448368       1.262220  0.3667831E-01  2.739862  
1 1 1 8  22 17 o 18.62400 2.150073  3.647430       0.7762417 3.932942       1.065326  3.324279       1.133374  1.943968       4.300146  
1 1 1 8  22 18 o 29.26409 1.363433  8.857495       0.7788803 9.642466       1.026862  7.794039       1.195213  3.224285       2.726866  
1 1 1 8  22 19 o 23.17099 1.900896  5.744108       0.8192648 6.084635       1.010323  5.090251       1.399990  2.422920       3.801793  
1 1 1 8  22 20 o 16.24186 2.367615  3.325898       0.7549896 4.509611       0.9772548 1.573439       1.189073  8.896744       4.735229  
1 1 1 8  22 21 o 13.34657 2.855951  2.249947       0.8094323 2.324337       0.9822598 2.092548       1.428792  1.121243       5.711902  
1 1 1 8  22 22 o 7.150678 2.347460  -0.4731160     0.8052613 -0.6923880E-01 1.176742  -0.8288146     1.104327  1.187734       4.694920  
1 1 1 8  23 0  o 205.9185 2.543715  424.6468       10.46518  418.1454       14.57035  431.5748       15.04086  0.000000       0.000000  
1 1 1 8  23 1  o 165.2721 1.470789  273.1139       4.858822  267.1654       6.734271  279.5730       7.017287  -3.749069      2.941578  
1 1 1 8  23 2  o 120.9234 1.133692  146.1157       2.739123  142.6414       3.775059  149.9784       3.980511  -3.031029      2.267383  
1 1 1 8  23 3  o 123.4564 1.250942  151.9724       3.044261  149.4627       3.966327  155.5705       4.749110  -2.461189      2.501884  
1 1 1 8  23 4  o 176.5127 1.687973  311.8056       5.891495  311.1570       7.765519  312.6853       9.043378  -0.4026794     3.375946  
1 1 1 8  23 5  o 157.5985 1.726321  247.2560       5.084803  244.7049       6.160148  252.7107       9.007675  -2.466339      3.452643  
1 1 1 8  23 6  o 121.2942 1.224453  147.6278       2.951174  150.9748       3.980063  143.5402       4.398403  3.073814       2.448907  
1 1 1 8  23 7  o 145.5231 1.604041  212.1130       4.406771  212.1519       5.404384  212.0358       7.612471  0.1133575      3.208081  
1 1 1 8  23 8  o 192.0080 1.824927  366.0011       6.860555  386.4984       11.00808  352.9834       8.772647  8.624710       3.649855  
1 1 1 8  23 9  o 86.41957 0.9879169 74.86421       1.698868  73.42179       2.519793  76.06629       2.300305  -1.535789      1.975834  
1 1 1 8  23 10 o 40.02556 1.102674  16.12248       0.8478015 16.34772       1.064304  15.73141       1.402403  0.7817154      2.205347  
1 1 1 8  23 11 o 45.93729 1.055318  20.60566       0.9133437 19.64649       1.106119  22.66096       1.619171  -3.261452      2.110637  
1 1 1 8  23 12 o 75.99567 1.144573  57.27029       1.627470  56.19403       1.969793  59.58521       2.888878  -2.171364      2.289145  
1 1 1 8  23 13 o 29.35973 1.356928  8.848543       0.7514185 9.279366       0.9332196 8.054290       1.267110  2.122320       2.713856  
1 1 1 8  23 14 o 65.29150 1.354752  42.66491       1.305030  42.56954       1.425600  43.15824       3.242403  -0.2085648     2.709504  
1 1 1 8  23 15 o 24.95611 1.517313  6.257967       0.7265687 6.185702       0.9053228 6.388745       1.217885  -0.3388252     3.034626  
1 1 1 8  23 16 o 10.06296 2.594950  0.8759168      0.6958694 1.216281       0.8843657 0.3225990      1.127580  1.755606       5.189900  
1 1 1 8  23 17 o 14.69503 2.477130  2.289231       0.7138874 1.925540       0.9368321 2.792872       1.102443  -2.720061      4.954260  
1 1 1 8  23 18 o 26.05103 1.538953  6.990417       0.7954464 7.952578       1.122198  6.018825       1.127685  3.714558       3.077906  
1 1 1 8  23 19 o 38.34601 1.386900  15.06073       1.054262  15.13463       1.403775  14.96512       1.596688  0.3363876      2.773801  
1 1 1 8  23 20 o 10.08119 2.543653  0.5378002      0.7395261 -0.5170026     0.9502472 2.157900       1.177665  -6.748996      5.087306  
1 1 1 8  23 21 o 19.77311 2.121647  4.329202       0.8303116 4.041149       1.086036  4.734437       1.288136  -1.348364      4.243295  
1 1 1 8  23 22 o 17.99686 2.544866  4.071777       0.8840009 3.938646       1.250184  4.204901       1.250148  -0.7519836     5.089732  
1 1 1 8  24 0  o 38.20206 1.463461  14.68094       1.108612  13.38910       1.524382  16.13126       1.615183  0.000000       0.000000  
1 1 1 8  24 1  o 173.5742 1.536726  301.3692       5.332273  296.0495       7.406968  307.0920       7.682525  -3.175323      3.073451  
1 1 1 8  24 2  o 23.74114 1.493687  5.717962       0.6996421 6.455966       0.9598689 4.881440       1.021932  3.317289       2.987374  
1 1 1 8  24 3  o 166.6098 1.482189  277.8376       4.938936  278.3623       6.983970  277.3127       6.985453  0.3150024      2.964378  
1 1 1 8  24 4  o 64.76447 0.9684052 40.85375       1.213619  37.88602       1.511157  46.24535       2.036835  -6.445831      1.936810  
1 1 1 8  24 5  o 113.6297 1.176572  128.9411       2.639475  127.5811       3.457258  130.8415       4.086783  -1.421661      2.353145  
1 1 1 8  24 6  o 68.09338 0.9263328 46.50321       1.247654  47.18593       1.653221  45.59990       1.901644  1.169174       1.852666  
1 1 1 8  24 7  o 59.33045 0.8660969 35.22008       1.027665  35.25546       1.446410  35.18401       1.460367  0.6052399E-01  1.732194  
1 1 1 8  24 8  o 88.25766 1.077964  77.65645       1.897871  73.94632       2.573734  82.07826       2.809760  -4.600464      2.155928  
1 1 1 8  24 9  o 47.69753 0.9022374 22.74623       0.8600776 22.27453       1.189692  23.26269       1.244849  -1.034393      1.804475  
1 1 1 8  24 10 o 78.22123 0.9771454 61.22299       1.472997  61.17218       1.850061  61.31097       2.434508  -0.6954956E-01 1.954291  
1 1 1 8  24 11 o 20.38707 2.124436  4.176281       0.8526965 4.164526       1.111432  4.193098       1.329427  -0.5053711E-01 4.248872  
1 1 1 8  24 12 o 15.36050 2.613904  2.096626       0.7160913 1.650481       0.8233005 3.482844       1.451229  -5.618220      5.227808  
1 1 1 8  24 13 o 32.86897 1.413522  9.579855       0.7769464 8.668652       0.8666950 13.30860       1.753234  -6.938976      2.827045  
1 1 1 8  24 14 o 44.19328 1.042869  19.83991       0.9082712 21.40484       1.217115  17.87316       1.364454  4.013302       2.085738  
1 1 1 8  24 15 f 47.86558 1.110621  23.03143       1.061563  22.61886       1.455817  23.49988       1.551278  -0.9009285     2.221243  
1 1 1 8  24 16 o 67.73227 1.021333  46.19271       1.382446  45.19692       1.981226  47.13762       1.929932  -1.443672      2.042666  
1 1 1 8  24 17 o 34.08587 1.248767  11.68826       0.8401484 11.30468       1.094885  12.23753       1.310192  -1.291008      2.497533  
1 1 1 8  24 18 o 23.06584 1.588994  5.458436       0.7287751 6.241916       1.047366  4.723071       1.014698  3.273821       3.177988  
1 1 1 8  24 19 o 8.402157 2.501081  -0.7364132E-01 0.7597679 -0.8635653     1.009423  0.9587207      1.153975  -3.787022      5.002161  
1 1 1 8  24 20 o 8.147210 2.570576  -0.2928213     0.8609388 -0.8629788     1.142832  0.4553598      1.309147  -2.461107      5.141152  
1 1 1 8  24 21 o 8.999609 2.636440  0.6073883      0.7830042 0.8440090      1.053464  0.3153133      1.170417  0.8356209      5.272881  
1 1 1 8  25 0  o 209.3551 2.587990  439.0734       10.82478  447.3825       15.56802  431.2961       15.06163  0.000000       0.000000  
1 1 1 8  25 1  f 167.5443 1.493251  280.9710       5.003709  280.7040       7.073072  281.2384       7.079560  -0.1593323     2.986501  
1 1 1 8  25 2  o 55.08633 0.8815047 30.36435       0.9705309 30.63036       1.351492  30.08109       1.394599  0.4991341      1.763009  
1 1 1 8  25 3  o 137.9001 1.263142  190.2010       3.482293  186.9946       4.841108  193.6389       5.012790  -2.405640      2.526284  
1 1 1 8  25 4  f 202.8697 1.918833  410.5157       7.665709  402.2785       9.956152  422.5081       12.01318  -4.915237      3.837666  
1 1 1 8  25 5  o 74.99728 1.489154  54.54184       1.661246  53.69478       1.812163  59.00133       4.157990  -3.472496      2.978308  
1 1 1 8  25 6  o 173.0767 1.534521  299.9837       5.311162  303.6747       7.583102  296.4295       7.441146  2.087784       3.069042  
1 1 1 8  25 7  f 151.5247 1.668511  230.7496       4.804471  227.7959       8.161484  232.3160       5.943413  -1.583160      3.337022  
1 1 1 8  25 8  f 136.6630 1.257309  186.9857       3.436219  186.2669       4.822063  187.7272       4.897919  -0.5316620     2.514619  
1 1 1 8  25 9  o 46.34587 1.009633  21.65060       0.9257143 20.33706       1.391330  22.69396       1.240013  -2.547657      2.019266  
1 1 1 8  25 10 o 47.89363 0.8969159 22.94438       0.8588961 22.36474       1.198314  23.55678       1.231699  -1.243378      1.793832  
1 1 1 8  25 11 o 20.93894 1.950574  4.547350       0.7505785 4.785365       0.9122736 4.048645       1.320524  1.800627       3.901148  
1 1 1 8  25 12 f 29.35711 1.739965  9.087847       0.8434929 9.443584       0.9643404 7.929348       1.740258  2.669731       3.479929  
1 1 1 8  25 13 o 80.86778 1.102319  64.82068       1.586835  63.87716       1.853720  67.40810       3.069731  -2.047180      2.204638  
1 1 1 8  25 14 o 12.10251 2.229755  1.645854       0.6251612 2.372597       0.7696815 0.2368538      1.071707  6.424174       4.459509  
1 1 1 8  25 15 o 36.91752 1.264336  13.62389       0.9293402 12.20379       1.250051  15.37867       1.389563  -4.266651      2.528671  
1 1 1 8  25 16 o 15.39266 2.497765  2.599879       0.7468930 2.844241       0.9754344 2.253566       1.161224  1.952723       4.995530  
1 1 1 8  25 17 o 18.25157 2.445696  3.618033       0.7979592 3.721921       0.9556725 3.378854       1.450061  1.604628       4.891391  
1 1 1 8  25 18 o 22.31456 1.814382  5.067043       0.8017474 4.283757       1.057418  6.126286       1.229659  -4.004000      3.628763  
1 1 1 8  25 19 o 9.129716 2.617980  0.5746628      0.7469615 0.5665743      1.047783  0.5830219      1.065158  -0.8171654E-01 5.235959  
1 1 1 8  25 20 o 11.48301 2.726122  1.385148       0.7810973 0.6284572      1.038119  2.372506       1.185837  -4.845747      5.452243  
1 1 1 8  25 21 o 11.09159 2.666816  1.212780       0.8318371 2.633696       1.193871  -0.1278811     1.159665  6.549578       5.333632  
1 1 1 8  26 0  o 117.9656 1.595497  137.9966       3.733951  150.7350       5.712974  128.4969       4.933559  0.000000       0.000000  
1 1 1 8  26 1  o 115.4789 1.110104  133.4313       2.563867  133.0736       3.621979  133.7906       3.629744  -0.3103104     2.220209  
1 1 1 8  26 2  o 174.7770 1.552086  305.5893       5.422163  299.0211       7.512812  312.7301       7.833427  -3.913071      3.104173  
1 1 1 8  26 3  o 123.7929 1.257880  153.4091       3.082901  153.6150       4.081809  153.1356       4.703813  0.2082443      2.515761  
1 1 1 8  26 4  o 47.68117 1.044436  22.34463       0.9638058 21.23417       1.204994  24.31663       1.605783  -3.223881      2.088872  
1 1 1 8  26 5  o 96.43498 1.062172  93.21829       2.029994  94.20985       2.702850  91.93517       3.074641  1.188942       2.124343  
1 1 1 8  26 6  o 132.3464 1.498033  175.7010       3.758840  174.5954       6.427415  176.2757       4.633862  -0.7013245     2.996067  
1 1 1 8  26 7  o 72.49100 0.8839563 52.55363       1.280286  52.01696       1.767315  53.14631       1.857226  -0.7768631     1.767913  
1 1 1 8  26 8  o 125.0793 1.276100  156.9996       3.171237  153.6552       4.738378  159.7130       4.268021  -2.439995      2.552200  
1 1 1 8  26 9  o 98.97710 1.007839  98.02988       1.994741  100.1720       2.849821  95.97227       2.793018  2.119621       2.015677  
1 1 1 8  26 10 o 42.86280 0.9728743 18.39502       0.8338928 18.53943       1.172739  18.24733       1.185978  0.3412857      1.945749  
1 1 1 8  26 11 o 44.61146 1.244990  19.62467       0.9781342 19.26533       1.134561  20.66495       1.930420  -1.505806      2.489980  
1 1 1 8  26 12 o 33.20093 1.238054  10.85748       0.7713774 10.48200       0.9330330 11.66835       1.371139  -1.737312      2.476107  
1 1 1 8  26 13 o 58.02909 1.002542  33.84663       1.147114  34.20818       1.505793  33.34665       1.770753  0.7706146      2.005083  
1 1 1 8  26 14 o 43.34718 1.250873  19.19652       1.031251  19.87423       1.287267  17.98229       1.723035  2.264523       2.501747  
1 1 1 8  26 15 o 42.35135 1.124529  18.05970       0.9412293 17.97589       1.238295  18.17438       1.448480  -0.1834259     2.249058  
1 1 1 8  26 16 o 35.56884 1.371469  12.81878       0.9390585 12.81012       1.178447  12.83385       1.554314  0.9608459E-01  2.742938  
1 1 1 8  26 17 o 8.664862 2.598681  0.1002678      0.7536737 -0.1084810     0.9400244 0.4759528      1.261070  -2.238694      5.197362  
1 1 1 8  26 18 o 8.407500 2.632074  -0.4727435     0.9247508 0.4093095      1.246565  -1.552228      1.379036  2.306136       5.264149  
1 1 1 8  26 19 o 7.300808 2.342036  -0.5244052     0.7382621 -0.9824249     0.9640480 0.1250806      1.147999  -2.324154      4.684073  
1 1 1 8  26 20 o 9.627857 2.658286  0.7984427      0.7488104 0.3564950      0.9852785 1.402767       1.152149  -2.766589      5.316571  
1 1 1 8  26 21 o 11.80364 2.846446  1.847130       0.8307011 2.371019       1.171118  1.316620       1.178495  2.849590       5.692893  
1 1 1 8  27 0  o 87.91788 1.897786  77.44110       3.333524  77.44110       3.333524  77.44110       3.333524  0.000000       0.000000  
1 1 1 8  27 1  o 67.41100 0.9560913 45.28954       1.275573  44.29483       1.678108  46.65079       1.963096  -1.742203      1.912183  
1 1 1 8  27 2  o 141.6994 1.302858  200.8993       3.691307  204.4120       5.295240  197.5787       5.148448  2.407364       2.605716  
1 1 1 8  27 3  f 126.7242 1.295201  159.7419       3.219880  155.7293       4.142216  165.8684       5.118316  -3.972610      2.590402  
1 1 1 8  27 4  o 67.62326 0.8788649 45.57667       1.184746  43.70143       1.599874  47.85365       1.762938  -3.066544      1.757730  
1 1 1 8  27 5  f 114.5240 1.790659  131.0209       3.566195  132.3392       7.104354  130.5768       4.123325  0.6397934      3.581319  
1 1 1 8  27 6  o 90.37827 1.039496  81.44602       1.854486  83.58093       2.880312  79.93436       2.423681  2.005051       2.078992  
1 1 1 8  27 7  o 31.54136 1.154073  9.983152       0.7253628 8.995474       1.025325  10.97273       1.026311  -3.134352      2.308146  
1 1 1 8  27 8  o 22.09942 1.557727  4.879304       0.6859212 4.315844       0.9436471 5.510524       0.9987769 -2.700117      3.115454  
1 1 1 8  27 9  o 26.43081 1.363175  7.003048       0.7201448 6.882717       1.031369  7.117527       1.005983  -0.4454937     2.726350  
1 1 1 8  27 10 o 39.16077 1.101734  15.42885       0.8560820 15.93486       1.152024  14.80483       1.279323  1.450527       2.203468  
1 1 1 8  27 11 o 38.95010 1.191963  15.28515       0.8948827 15.48712       1.128422  14.94287       1.469018  0.7268219      2.383926  
1 1 1 8  27 12 o 10.39983 2.754417  0.8306145      0.6943831 0.8327241      0.7978792 0.8240287      1.409781  -1.604136      5.508835  
1 1 1 8  27 13 o 60.62083 0.9954053 36.80829       1.180175  36.54483       1.515424  37.21434       1.881350  -0.5065041     1.990811  
1 1 1 8  27 14 o 30.27412 1.511675  9.181149       0.7804469 9.096975       0.8931364 9.452997       1.605077  -0.3975563     3.023350  
1 1 1 8  27 15 o 32.65847 1.446498  10.04272       0.8832456 8.830013       1.050159  12.97431       1.632787  -6.165361      2.892997  
1 1 1 8  27 16 o 20.19709 1.733220  3.928333       0.6211659 3.659970       0.7168332 4.737278       1.244560  -2.406309      3.466439  
1 1 1 8  27 17 o 29.33472 1.529699  8.687900       0.8898639 7.870839       1.169131  9.813091       1.371984  -3.196299      3.059399  
1 1 1 8  27 18 o 22.28577 2.242813  5.201359       0.9326767 4.960184       1.122896  5.737904       1.674853  -1.098188      4.485627  
1 1 1 8  27 19 o 11.33201 2.681406  1.324585       0.7353677 0.7285658      0.9603686 2.169332       1.143329  -4.265851      5.362813  
1 1 1 8  27 20 o 15.01662 2.576960  2.614336       0.8038356 1.467270       1.052073  4.223125       1.245952  -7.841726      5.153919  
1 1 1 8  27 21 o 10.51332 3.023831  0.9470779      0.9566782 2.512820       1.705383  0.2280869      1.155643  4.701381       6.047662  
1 1 1 8  28 0  o 78.69941 1.594046  60.24044       2.282963  57.69783       2.692469  66.74457       4.306302  0.000000       0.000000  
1 1 1 8  28 1  o 193.2695 1.841575  375.1277       7.063886  380.6801       9.462579  368.1387       10.61637  3.294968       3.683149  
1 1 1 8  28 2  o 189.7021 1.675434  360.5789       6.356661  360.4980       8.995780  360.6595       8.983584  -0.4307556E-01 3.350869  
1 1 1 8  28 3  o 39.02765 1.124540  15.32604       0.8727394 14.24615       1.274936  16.27827       1.197207  -2.605633      2.249079  
1 1 1 8  28 4  o 36.08652 1.323991  13.26093       0.9166036 12.21327       1.496047  13.89055       1.159776  -2.334957      2.647982  
1 1 1 8  28 5  o 79.81688 0.9135467 63.70860       1.457893  65.56729       2.091445  61.95176       2.033327  2.263504       1.827093  
1 1 1 8  28 6  o 28.77331 1.295467  8.374471       0.7367017 7.006810       1.053843  9.681617       1.030264  -4.648947      2.590935  
1 1 1 8  28 7  o 27.60296 1.338094  7.638975       0.7379967 7.942806       1.036933  7.327099       1.050571  1.115889       2.676188  
1 1 1 8  28 8  o 85.68433 1.021973  73.57870       1.735749  74.13706       2.310598  72.85546       2.629681  0.7593918      2.043945  
1 1 1 8  28 9  o 85.76552 0.9674963 73.65784       1.658739  74.01016       2.312845  73.28470       2.380228  0.4259262      1.934993  
1 1 1 8  28 10 o 46.52478 1.137437  22.25782       1.014207  23.95208       1.293343  19.55220       1.634392  4.753288       2.274875  
1 1 1 8  28 11 o 20.27029 1.839017  4.237315       0.7277747 3.575910       1.098769  4.754282       0.9714144 -2.927706      3.678034  
1 1 1 8  28 12 o 46.35742 1.145606  21.59135       1.061083  22.63974       1.497729  20.53489       1.503485  2.270935       2.291212  
1 1 1 8  28 13 o 53.33822 0.9898126 28.70635       1.039837  29.46716       1.367386  27.66304       1.601255  1.722919       1.979625  
1 1 1 8  28 14 o 34.71306 1.322058  11.81844       0.7937502 11.48256       0.9102783 12.88415       1.621453  -1.831303      2.644116  
1 1 1 8  28 15 o 29.04497 1.444019  8.446957       0.8245214 8.018124       1.060699  9.101730       1.310671  -1.782202      2.888037  
1 1 1 8  28 16 o 60.81401 1.012203  37.54665       1.177466  38.20635       1.472379  36.37627       1.961148  1.642826       2.024405  
1 1 1 8  28 17 o 19.17160 2.421441  3.895474       0.9027025 4.577391       1.389197  3.397109       1.187604  3.174751       4.842882  
1 1 1 8  28 18 o 12.14999 2.599051  1.604358       0.8144500 2.787353       1.087679  0.9446948E-01  1.228802  6.896180       5.198101  
1 1 1 8  28 19 o 9.330700 2.573275  0.5206145      0.7950100 1.502658       1.055461  -0.7672438     1.208678  4.139997       5.146550  
1 1 1 8  28 20 o 34.73296 1.384238  12.73982       0.9577680 12.29083       1.401205  13.13355       1.312153  -1.334702      2.768477  
1 1 1 8  29 0  o 51.10667 1.731284  25.54870       1.616000  28.27279       3.009458  24.44498       1.915602  0.000000       0.000000  
1 1 1 8  29 1  o 244.0795 2.604195  596.5627       11.92872  604.5708       20.91338  592.7009       14.52284  2.019714       5.208390  
1 1 1 8  29 2  o 180.1514 1.727664  325.1987       6.161107  325.4778       9.411643  324.9893       8.150119  0.8094788E-01  3.455328  
1 1 1 8  29 3  f 28.33772 1.445155  8.009871       0.8149719 8.354342       1.225056  7.736387       1.091551  1.085411       2.890309  
1 1 1 8  29 4  o 126.4167 1.195518  159.9016       3.021037  157.5928       4.192286  162.3957       4.357273  -1.894348      2.391035  
1 1 1 8  29 5  o 120.5065 1.244192  145.3402       2.967542  144.9563       3.921831  145.8544       4.538955  -0.3501129     2.488383  
1 1 1 8  29 6  o 21.47838 1.857256  4.647018       0.7914056 4.796457       1.064295  4.462190       1.183624  0.7853317      3.714511  
1 1 1 8  29 7  o 77.38029 0.9340640 59.87289       1.444774  58.28373       2.003111  61.59602       2.085837  -2.137589      1.868128  
1 1 1 8  29 8  o 29.45754 1.268788  8.670741       0.7461126 7.968969       1.028486  9.450355       1.084028  -2.511511      2.537577  
1 1 1 8  29 9  o 34.97398 1.271288  12.48060       0.8733134 10.68543       1.300535  13.95482       1.178558  -4.683434      2.542575  
1 1 1 8  29 10 o 30.97809 1.311079  9.461002       0.8023602 10.71384       1.260222  8.606941       1.040503  3.378984       2.622158  
1 1 1 8  29 11 o 59.05485 0.9375903 34.94555       1.096226  35.08978       1.674828  34.83745       1.449966  0.1921082      1.875181  
1 1 1 8  29 12 o 47.51412 1.033127  22.38086       0.9560217 21.49028       1.209711  23.86236       1.560256  -2.451431      2.066253  
1 1 1 8  29 13 o 44.55141 1.165097  19.85287       0.9228011 19.69472       1.079097  20.28328       1.780220  -0.5151024     2.330194  
1 1 1 8  29 14 o 44.59755 1.065417  20.20536       0.8919266 20.56444       1.093087  19.48998       1.542876  1.303921       2.130834  
1 1 1 8  29 15 o 59.17256 1.242162  35.09246       1.435417  36.94810       2.318052  33.93837       1.828077  2.379635       2.484324  
1 1 1 8  29 16 o 50.23917 1.039630  25.48786       0.9663411 25.44971       1.163731  25.57260       1.734298  0.8246231E-01  2.079260  
1 1 1 8  29 17 o 22.17030 2.005581  5.170545       0.8685587 5.351806       1.127924  4.906469       1.361415  1.180855       4.011162  
1 1 1 8  29 18 o 15.28374 2.818178  2.785701       0.8983901 3.683429       1.284134  1.925070       1.257321  5.021600       5.636356  
1 1 1 8  29 19 o 10.43174 2.796956  1.130032       0.8177372 0.7439212      1.141123  1.537614       1.172422  -1.952306      5.593912  
1 1 1 8  29 20 o 16.10916 3.003867  3.437763       0.9569303 3.535448       1.607952  3.384193       1.190754  -0.7005310     6.007734  
1 1 1 8  30 0  o 95.75861 1.441452  91.68775       2.753873  95.60391       4.028850  88.25342       3.772870  0.000000       0.000000  
1 1 1 8  30 1  o 195.2830 2.109079  386.3441       7.867096  369.7477       13.10743  395.6894       9.835729  -6.820694      4.218158  
1 1 1 8  30 2  o 110.1291 1.261559  121.4259       2.778568  119.8499       3.916488  123.0229       3.942618  -1.439705      2.523117  
1 1 1 8  30 3  o 27.69165 1.566273  7.646721       0.8646596 8.128378       1.287338  7.250831       1.167110  1.579172       3.132546  
1 1 1 8  30 4  o 90.07895 1.054285  81.37923       1.885194  79.86745       2.830964  82.58379       2.526988  -1.517509      2.108570  
1 1 1 8  30 5  o 125.8430 1.380664  158.6167       3.474570  156.7506       4.870426  160.5508       4.958321  -1.505875      2.761329  
1 1 1 8  30 6  o 127.8070 1.307347  163.3561       3.302397  165.3239       5.089121  161.9248       4.340333  1.295937       2.614694  
1 1 1 8  30 7  o 44.01991 1.129257  19.34776       0.9772442 19.71461       1.536633  19.09862       1.266323  0.6875534      2.258515  
1 1 1 8  30 8  o 31.62283 1.231341  9.893811       0.7725459 8.365123       1.033202  11.83221       1.163449  -5.473063      2.462682  
1 1 1 8  30 9  o 109.1746 1.197670  119.6089       2.575215  120.0815       3.364920  118.9408       4.000899  0.5725403      2.395339  
1 1 1 8  30 10 o 90.56572 1.110304  82.28316       2.010978  83.24493       2.863776  81.34757       2.824536  1.043373       2.220608  
1 1 1 8  30 11 o 41.56195 0.9645396 17.32417       0.8016772 17.15297       1.138267  17.49267       1.129272  -0.4095840     1.929079  
1 1 1 8  30 12 o 49.73149 1.133728  25.29104       1.009730  25.86367       1.195288  23.86412       1.886830  2.113884       2.267456  
1 1 1 8  30 13 o 45.52269 1.050761  20.66110       0.9091879 20.25495       1.117969  21.45437       1.562406  -1.226826      2.101521  
1 1 1 8  30 14 o 19.98734 2.174273  4.235440       0.8324353 4.792809       1.134072  3.584315       1.225748  3.344709       4.348547  
1 1 1 8  30 15 o 27.48409 1.569640  7.686774       0.8376581 7.629594       1.062947  7.780477       1.360701  -0.1413002     3.139279  
1 1 1 8  30 16 o 47.56724 1.233071  22.69070       1.071625  22.28169       1.273271  23.68405       1.984299  -1.164799      2.466142  
1 1 1 8  30 17 o 27.33792 1.645605  7.905550       0.8843018 8.917815       1.204423  6.721693       1.302512  4.103519       3.291209  
1 1 1 8  30 18 o 18.97229 2.426538  4.236065       0.8658351 4.985573       1.142506  3.224844       1.327068  5.223074       4.853076  
1 1 1 8  30 19 o 13.01019 2.998382  2.100470       0.9657444 1.074964       1.374966  3.098990       1.356754  -5.058964      5.996764  
1 1 1 8  30 20 o 14.46061 3.109302  2.869049       0.9717356 3.765860       1.541355  2.277482       1.251856  3.346472       6.218605  
1 1 1 8  31 0  o 87.56110 1.706900  77.70123       2.854351  79.66786       3.577194  74.25472       4.735548  0.000000       0.000000  
1 1 1 8  31 1  o 78.91205 1.107609  62.34044       1.747935  61.62851       2.476929  63.04668       2.467008  -0.8989029     2.215218  
1 1 1 8  31 2  o 11.54373 2.491021  1.120671       0.7231757 2.304422       1.039094  0.8684025E-02  1.007105  6.598590       4.982043  
1 1 1 8  31 3  o 119.6693 1.161279  143.3840       2.779369  143.9238       3.929343  142.8436       3.931901  0.4513855      2.322558  
1 1 1 8  31 4  o 140.1522 1.302191  196.1506       3.642114  188.3039       4.955884  205.3651       5.370522  -6.068588      2.604381  
1 1 1 8  31 5  o 205.3957 1.808511  423.1396       7.428089  428.9953       10.61826  417.5273       10.39511  2.777527       3.617021  
1 1 1 8  31 6  o 24.54580 1.583741  6.024189       0.7610245 4.477611       1.035698  7.839168       1.121975  -6.842192      3.167481  
1 1 1 8  31 7  o 101.6092 1.054136  103.3411       2.141191  101.1070       2.972929  105.7491       3.086463  -2.278000      2.108272  
1 1 1 8  31 8  o 82.20458 1.069524  66.97729       1.704175  64.82829       2.143080  70.67339       2.810554  -3.508804      2.139049  
1 1 1 8  31 9  o 54.13915 1.002876  29.43310       1.081473  29.97393       1.472383  28.79950       1.593676  1.095322       2.005751  
1 1 1 8  31 10 o 81.42719 1.159404  66.66565       1.854408  66.04308       2.903012  67.09481       2.410253  -0.7054062     2.318807  
1 1 1 8  31 11 o 83.04609 0.9940884 68.62852       1.628613  72.64778       2.550567  65.86171       2.116189  4.030701       1.988177  
1 1 1 8  31 12 f 46.65554 0.8818907 21.83501       0.8225048 20.99421       1.144450  22.73325       1.182897  -1.857487      1.763781  
1 1 1 8  31 13 o 42.39021 1.151304  18.07228       0.9647829 17.85145       1.267954  18.37596       1.486862  -0.5651703     2.302609  
1 1 1 8  31 14 o 71.26189 0.9952548 50.34064       1.339036  48.77944       1.630760  53.57172       2.346028  -3.182648      1.990510  
1 1 1 8  31 15 o 69.39922 1.229810  48.85021       1.624540  48.99663       2.012540  48.57638       2.752215  0.5750046      2.459620  
1 1 1 8  31 16 o 15.06588 2.543351  2.338692       0.7125062 2.004571       0.8527827 3.111196       1.296693  -3.097176      5.086702  
1 1 1 8  31 17 o 33.10982 1.446711  11.41476       0.8922210 11.49570       1.084707  11.24542       1.568880  0.8113480      2.893421  
1 1 1 8  31 18 o 19.40377 2.491261  4.338785       0.9423409 3.927160       1.340695  4.740700       1.324790  -2.452904      4.982522  
1 1 1 8  31 19 o 31.42132 1.496345  10.46025       0.9385833 11.34582       1.371040  9.679182       1.287600  2.527645       2.992691  
1 1 1 8  32 0  o 96.10046 1.459926  92.53185       2.801932  93.90558       4.032256  91.24918       3.896301  0.000000       0.000000  
1 1 1 8  32 1  o 43.14249 1.085286  18.60597       0.9356877 17.66493       1.296913  19.62757       1.351286  -2.272640      2.170572  
1 1 1 8  32 2  o 139.7163 1.406462  195.0010       3.876593  192.1747       5.063258  199.0048       6.026303  -2.398804      2.812925  
1 1 1 8  32 3  o 108.3187 1.166401  117.4763       2.503881  117.4202       3.324152  117.5498       3.806756  -0.4046631E-01 2.332803  
1 1 1 8  32 4  o 118.1603 1.324135  139.6378       3.125564  144.5223       4.555860  135.2946       4.296005  3.892220       2.648270  
1 1 1 8  32 5  o 43.25112 1.074142  18.50844       0.9184876 17.35735       1.196648  20.15897       1.432924  -3.228264      2.148284  
1 1 1 8  32 6  o 70.45499 0.9947098 49.49768       1.386864  48.29097       1.823044  51.15541       2.136742  -2.016289      1.989420  
1 1 1 8  32 7  o 61.51401 1.192417  37.23124       1.339207  36.24857       1.586263  39.66969       2.498775  -2.710884      2.384835  
1 1 1 8  32 8  o 66.08000 1.086708  44.09406       1.386151  45.01315       1.755060  42.57015       2.259924  1.892357       2.173416  
1 1 1 8  32 9  o 80.94785 1.021178  65.77402       1.635411  65.35727       2.499043  66.08619       2.162854  -0.4849167     2.042355  
1 1 1 8  32 10 o 26.00586 1.423177  6.835028       0.7338260 6.573226       1.100824  7.044411       0.9844701 -0.9245872     2.846354  
1 1 1 8  32 11 o 42.84329 1.004675  18.47364       0.8556687 18.83121       1.154936  18.03853       1.274003  0.9427147      2.009351  
1 1 1 8  32 12 o 21.04315 1.746135  4.515117       0.7041907 4.466482       1.173395  4.542493       0.8803467 -0.2818165     3.492270  
1 1 1 8  32 13 o 23.87462 1.715554  5.996662       0.7508402 6.329915       0.9126614 5.298734       1.320772  2.309212       3.431109  
1 1 1 8  32 14 o 8.553350 2.670151  -0.5612552     0.7951289 -0.9764848     0.9213866 0.6500618      1.573717  -4.886315      5.340301  
1 1 1 8  32 15 o 12.17345 2.755156  1.659328       0.8269267 2.263734       0.9897758 0.2623381      1.504767  4.298738       5.510311  
1 1 1 8  32 16 f 44.44002 1.122933  20.34546       0.9393492 20.97370       1.159125  19.14348       1.603303  2.268410       2.245867  
1 1 1 8  32 17 o 17.56502 2.451654  3.930707       0.7608151 4.593004       0.9142041 2.438610       1.372193  6.802632       4.903308  
1 1 1 8  32 18 o 11.50035 2.883599  1.414876       0.8662515 2.423291       1.319623  0.6513077      1.148297  4.472592       5.767198  
1 1 1 8  32 19 o 13.76834 2.937762  2.574733       0.9236816 3.234527       1.235943  1.739981       1.390185  4.258116       5.875525  
1 1 1 8  33 0  o 27.87274 2.153576  8.067560       1.173224  7.538373       1.653642  8.603907       1.664791  0.000000       0.000000  
1 1 1 8  33 1  o 148.1782 1.369347  219.9803       4.058072  219.0919       5.717873  220.8819       5.760323  -0.6018982     2.738694  
1 1 1 8  33 2  o 27.32283 1.523906  7.457606       0.8306547 6.759733       1.141148  8.244113       1.211448  -2.712404      3.047813  
1 1 1 8  33 3  o 154.7436 1.414020  239.9856       4.376113  241.4158       6.214306  238.5787       6.163523  0.9138489      2.828040  
1 1 1 8  33 4  o 124.9749 1.303737  156.6694       3.228613  155.4847       4.900915  157.5777       4.291440  -0.8735199     2.607474  
1 1 1 8  33 5  o 32.19703 1.283115  10.33233       0.8234564 9.659416       1.110146  11.15545       1.227810  -2.314659      2.566231  
1 1 1 8  33 6  o 77.66837 1.222210  59.87517       1.728251  59.02412       2.048682  61.97557       3.218436  -1.808525      2.444421  
1 1 1 8  33 7  o 99.65931 1.032317  99.47555       2.056595  102.0044       2.965708  97.13294       2.854414  2.435074       2.064633  
1 1 1 8  33 8  o 90.53748 1.068175  82.36256       1.918500  81.16503       2.892550  83.30313       2.563493  -1.215294      2.136349  
1 1 1 8  33 9  o 71.39002 0.9590166 51.09633       1.361542  51.20387       2.037585  51.00957       1.830105  0.1148987      1.918033  
1 1 1 8  33 10 o 7.872397 2.310346  -0.7574970E-01 0.6665915 -1.207075      1.058366  0.6681123      0.8581995 -2.735930      4.620691  
1 1 1 8  33 11 o 8.870593 2.465376  0.3773175      0.6672827 -0.1218199     0.9267403 0.9146941      0.9615843 -2.634310      4.930752  
1 1 1 8  33 12 o 32.47270 1.095889  10.62264       0.7109126 9.975298       0.9995437 11.28533       1.011324  -2.014406      2.191779  
1 1 1 8  33 13 o 11.88910 2.873678  1.514556       0.8083897 1.908683       0.8814626 -0.5712432     2.027785  2.816549       5.747356  
1 1 1 8  33 14 o 19.52741 2.134090  4.062914       0.7399895 4.147724       0.8902931 3.873390       1.330891  1.272398       4.268180  
1 1 1 8  33 15 o 32.39073 1.457250  10.86782       0.9265449 11.54116       1.224256  9.965068       1.417558  2.543188       2.914501  
1 1 1 8  33 16 o 41.45063 1.204833  16.90171       0.9487382 15.49763       1.152428  19.85465       1.671266  -4.882622      2.409666  
1 1 1 8  33 17 o 35.21160 1.263989  12.80711       0.8575138 12.75381       1.077503  12.89918       1.416174  0.1176758      2.527979  
1 1 1 8  33 18 o 34.28388 1.760639  12.80065       1.166894  13.01652       1.485404  12.45272       1.885836  1.488598       3.521278  
1 1 1 8  33 19 o 12.83235 3.226048  2.409553       1.046764  2.187928       1.530222  2.604468       1.435053  -1.078173      6.452096  
1 1 1 8  34 0  o 8.453612 3.575707  0.6427441      1.094871  -0.3515159E-01 1.528100  1.357861       1.569492  0.000000       0.000000  
1 1 1 8  34 1  o 52.64389 1.001210  27.72417       1.053585  27.01157       1.460959  28.49637       1.520832  -1.407543      2.002420  
1 1 1 8  34 2  o 63.09597 0.9526113 39.78360       1.200870  38.16946       1.653076  41.58725       1.747422  -2.704094      1.905223  
1 1 1 8  34 3  o 128.5856 1.232963  165.7290       3.170816  166.2246       4.484752  165.2337       4.483671  0.3852081      2.465926  
1 1 1 8  34 4  o 134.6814 1.373882  182.2699       3.670870  179.8414       5.535269  184.1764       4.904554  -1.664001      2.747764  
1 1 1 8  34 5  o 41.76574 1.473882  18.16530       1.078865  18.93772       1.268269  16.14292       2.052176  3.417931       2.947764  
1 1 1 8  34 6  o 54.73316 0.9357924 30.02143       1.024018  31.01087       1.450924  29.03942       1.445453  1.800549       1.871585  
1 1 1 8  34 7  o 44.79852 0.9480427 20.09653       0.8485513 19.65288       1.169069  20.59051       1.233594  -1.040516      1.896085  
1 1 1 8  34 8  f 61.16654 0.9362404 37.56325       1.143668  35.62611       1.629252  39.44499       1.605785  -3.124027      1.872481  
1 1 1 8  34 9  o 44.20034 1.070616  19.63968       0.9299883 19.50107       1.454417  19.73555       1.209576  -0.2988052     2.141233  
1 1 1 8  34 10 o 91.10521 0.9900779 83.39751       1.803867  84.70592       2.570706  82.12837       2.531843  1.407738       1.980156  
1 1 1 8  34 11 o 9.409389 2.459565  0.7296107      0.6185644 0.5411396      0.8823346 0.9117644      0.8674204 -1.035622      4.919131  
1 1 1 8  34 12 o 54.21194 0.9859849 29.56728       1.057616  29.53708       1.397196  29.60781       1.618472  -0.1593781E-01 1.971970  
1 1 1 8  34 13 o 33.75236 1.341213  12.10732       0.8340652 13.19163       1.028511  10.02454       1.425452  4.838608       2.682427  
1 1 1 8  34 14 f 7.812840 2.470903  -0.3755559     0.8031274 0.2022961      0.9621332 -1.703450      1.458508  0.8390574      4.941806  
1 1 1 8  34 15 o 63.34274 1.650027  0.000000       0.000000  ?              ?         40.73021       2.090344  ?              ?         
1 1 1 8  34 16 o 26.97219 1.577608  7.501858       0.8086256 7.238511       0.9924294 8.022024       1.394782  -1.023882      3.155216  
1 1 1 8  34 17 o 26.55869 1.771593  7.357623       0.8233492 7.133670       0.9526442 8.018773       1.636828  -0.6966476     3.543186  
1 1 1 8  34 18 o 9.377638 2.748091  0.5618622      0.8821031 1.277420       1.246706  -0.1554817     1.248260  2.645181       5.496183  
1 1 1 8  35 0  o 112.6610 1.605086  127.1405       3.608702  123.1769       4.953552  131.6231       5.267891  0.000000       0.000000  
1 1 1 8  35 1  o 89.24716 1.088434  79.77684       1.922458  80.10493       2.941816  79.53230       2.539803  0.2933731      2.176867  
1 1 1 8  35 2  f 123.3698 1.299948  151.7947       3.151125  148.1346       4.068584  157.2814       4.981450  -3.630325      2.599897  
1 1 1 8  35 3  f 16.54587 2.448751  2.998952       0.7965861 4.017461       1.070579  1.735647       1.192313  6.863252       4.897501  
1 1 1 8  35 4  o 64.85844 1.134526  42.22128       1.469899  43.53182       2.050757  40.83665       2.107922  2.082268       2.269051  
1 1 1 8  35 5  o 22.72847 1.679498  5.208574       0.7616882 5.629833       1.079489  4.790885       1.074906  1.844913       3.358996  
1 1 1 8  35 6  o 17.83138 2.125261  3.295563       0.7316265 2.710169       1.032893  3.885017       1.036469  -3.566601      4.250523  
1 1 1 8  35 7  o 73.75542 1.108972  54.29389       1.556618  55.58570       2.659592  53.62078       1.919788  1.246346       2.217943  
1 1 1 8  35 8  o 56.68799 0.9086367 32.13389       1.028580  30.44128       1.408222  34.06959       1.505956  -3.189049      1.817273  
1 1 1 8  35 9  o 74.38275 0.9298062 55.54396       1.383177  56.17498       1.958182  54.91562       1.954041  0.8459244      1.859612  
1 1 1 8  35 10 o 45.96139 1.025856  21.38858       0.9351045 22.62233       1.267264  19.91385       1.385508  2.969997       2.051713  
1 1 1 8  35 11 o 31.18600 1.194276  9.808832       0.7447612 9.558559       1.048876  10.06332       1.057682  -0.8070374     2.388552  
1 1 1 8  35 12 o 29.70334 1.508445  9.051291       0.8519247 9.228751       1.059080  8.725944       1.434007  0.9968739      3.016889  
1 1 1 8  35 13 o 21.81319 1.551670  4.778133       0.6704939 3.993759       0.8911184 5.801629       1.017927  -4.084661      3.103340  
1 1 1 8  35 14 o 17.74183 2.413851  3.413223       0.8202812 3.192326       1.086059  3.706579       1.251574  -1.254704      4.827701  
1 1 1 8  35 15 o 30.59686 1.515958  9.812055       0.8932794 10.09420       1.132281  9.347012       1.453680  1.503653       3.031917  
1 1 1 8  35 16 o 26.49545 1.564414  7.620825       0.7850070 8.363290       0.9983307 6.418147       1.270608  3.966553       3.128829  
1 1 1 8  35 17 o 36.65075 1.578415  14.71192       1.031711  15.31087       1.229840  13.28908       1.895525  3.684658       3.156829  
1 1 1 8  35 18 o 31.46357 2.220954  11.53560       1.375424  11.00808       1.782058  12.31286       2.163148  -1.003767      4.441907  
1 1 1 8  36 0  o 18.44358 4.309777  4.527047       1.369269  4.743273       1.638255  4.025921       2.494023  0.000000       0.000000  
1 1 1 8  36 1  o 72.67532 1.162644  52.83713       1.600698  53.33801       2.752090  52.58107       1.967781  0.4575806      2.325288  
1 1 1 8  36 2  o 35.18797 1.468147  12.31862       1.028174  11.12663       1.376180  13.82460       1.546853  -3.814690      2.936295  
1 1 1 8  36 3  o 70.31622 1.024730  49.44528       1.424649  50.38531       2.195775  48.76188       1.872205  1.125885       2.049459  
1 1 1 8  36 4  o 77.39203 1.040272  59.66787       1.587962  62.42525       2.483027  57.75967       2.065591  2.973076       2.080543  
1 1 1 8  36 5  o 84.17703 1.153043  71.84086       1.866379  68.47094       3.059345  73.83852       2.355478  -3.270348      2.306086  
1 1 1 8  36 6  o 80.08218 0.9655908 64.04134       1.542583  60.67150       2.092039  68.05659       2.283612  -4.591324      1.931182  
1 1 1 8  36 7  o 51.17086 0.9267959 26.23387       0.9478313 24.94300       1.317064  27.62062       1.365098  -2.610733      1.853592  
1 1 1 8  36 8  f 91.13180 1.071224  83.34415       1.928074  82.76064       2.530442  84.15186       2.977103  -0.6916809     2.142448  
1 1 1 8  36 9  o 40.80407 1.082309  16.77446       0.8793703 17.01083       1.193901  16.49416       1.300112  0.6543045      2.164618  
1 1 1 8  36 10 o 59.26498 0.9322641 35.30213       1.104851  35.11033       1.547581  35.50150       1.577850  -0.3240547     1.864528  
1 1 1 8  36 11 f 36.70322 1.247771  13.69466       0.8779006 13.90638       1.100197  13.32357       1.456552  0.8995171      2.495541  
1 1 1 8  36 12 o 20.77092 1.616547  4.356859       0.6674966 3.791727       0.8953817 5.063839       1.001467  -3.013517      3.233094  
1 1 1 8  36 13 o 23.92252 1.570346  5.880148       0.7397921 5.806090       1.146186  5.933031       0.9685516 -0.3673763     3.140693  
1 1 1 8  36 14 o 19.24971 2.266696  4.053386       0.8127363 4.296135       1.032766  3.658510       1.317205  2.223190       4.533392  
1 1 1 8  36 15 o 42.20463 1.466106  18.59595       1.187821  18.73047       1.490436  18.36178       1.966494  0.9054489      2.932213  
1 1 1 8  36 16 o 35.42717 1.390155  13.25669       0.9452863 13.74339       1.196169  12.44720       1.542644  2.203545       2.780310  
1 1 1 8  36 17 o 13.73442 2.978811  2.490000       0.8674694 2.602386       1.012697  2.180276       1.681167  1.867000       5.957623  
1 1 1 8  37 0  o 58.16866 1.851829  34.24833       1.896141  34.07836       3.658127  34.31076       2.217251  0.000000       0.000000  
1 1 1 8  37 1  o 32.27795 1.516475  10.44491       0.9758537 10.03262       1.318727  10.94395       1.450846  -1.392580      3.032951  
1 1 1 8  37 2  o 52.89622 1.007063  27.91147       1.057206  29.20204       1.612446  26.93835       1.400159  2.118839       2.014126  
1 1 1 8  37 3  o 50.68987 1.049494  25.85176       1.059247  24.85888       1.555561  26.71018       1.446393  -1.837780      2.098987  
1 1 1 8  37 4  o 27.82614 1.676993  7.620443       0.8898040 8.422317       1.538927  7.217739       1.090584  2.085621       3.353987  
1 1 1 8  37 5  o 44.25068 1.022147  19.66376       0.9035908 20.15906       1.258684  19.13706       1.297962  1.159195       2.044294  
1 1 1 8  37 6  o 73.31290 0.9950904 54.05242       1.448677  54.92249       1.945271  52.96902       2.170694  1.361076       1.990181  
1 1 1 8  37 7  o 45.39499 1.016839  20.68907       0.9129766 20.63390       1.204247  20.76365       1.400051  -0.1127129     2.033678  
1 1 1 8  37 8  o 24.66453 1.410493  6.147192       0.6956226 6.212052       0.9766793 6.080418       0.9909948 0.2705441      2.820987  
1 1 1 8  37 9  o 52.69151 0.9329950 27.91220       0.9830913 27.36666       1.389070  28.45968       1.391535  -1.036697      1.865990  
1 1 1 8  37 10 o 45.55609 1.228994  20.97441       1.118160  21.35261       1.549114  20.56304       1.615617  0.8852386      2.457988  
1 1 1 8  37 11 o 20.30338 1.825033  4.228783       0.7134966 4.253623       1.180286  4.214477       0.8956813 -0.5175591E-01 3.650066  
1 1 1 8  37 12 o 44.98943 1.079512  20.41200       0.9549584 20.80957       1.500098  20.14110       1.238282  0.6444473      2.159024  
1 1 1 8  37 13 o 71.67577 1.135051  52.19392       1.556678  51.89290       2.607115  52.36070       1.940570  -0.6272736     2.270103  
1 1 1 8  37 14 o 22.56604 2.046616  5.324753       0.8384200 5.151180       0.9911187 5.761497       1.572167  -0.6586666     4.093232  
1 1 1 8  37 15 o 25.59923 1.882855  7.360172       0.9037694 8.474386       1.163009  5.661580       1.435963  5.842455       3.765710  
1 1 1 8  37 16 o 14.96611 2.862448  2.855862       0.9027869 2.126251       1.308589  3.518512       1.247096  -4.095700      5.724896  
1 1 1 8  37 17 o 8.096983 2.621500  -0.2075874     0.9029195 -0.3593014     1.109639  0.8971231E-01  1.553338  -1.705739      5.242999  
1 1 1 8  38 0  o 128.3520 2.491368  165.6882       6.390065  165.6882       6.390065  165.6882       6.390065  0.000000       0.000000  
1 1 1 8  38 1  o 131.4375 1.360342  173.1001       3.531044  169.9569       4.621399  177.5091       5.473293  -2.751038      2.720684  
1 1 1 8  38 2  o 128.6385 1.601108  167.2392       4.036243  164.2295       6.347851  169.2818       5.229531  -2.152031      3.202217  
1 1 1 8  38 3  o 73.53516 1.090163  54.26780       1.602790  52.39867       2.253559  56.18114       2.280046  -2.568710      2.180325  
1 1 1 8  38 4  o 39.73145 1.346112  16.14337       0.9692097 15.26666       1.776756  16.51475       1.156417  -1.670376      2.692225  
1 1 1 8  38 5  o 63.64433 1.008134  40.62059       1.261516  40.86653       1.976599  40.45155       1.638654  0.2815132      2.016268  
1 1 1 8  38 6  o 52.62050 1.050995  28.07641       1.094595  25.72090       1.626616  30.02581       1.479767  -4.115955      2.101989  
1 1 1 8  38 7  o 60.62106 0.9961104 36.87925       1.191598  37.30150       1.846417  36.57785       1.559925  0.5445671      1.992221  
1 1 1 8  38 8  o 77.61365 1.038214  60.61605       1.597924  60.77494       2.423715  60.49389       2.125206  0.1144409      2.076428  
1 1 1 8  38 9  o 75.21306 0.9458027 56.89116       1.422634  56.73476       2.022357  57.04436       2.001620  -0.2101822     1.891605  
1 1 1 8  38 10 o 24.34487 1.475895  6.013904       0.7160363 6.758480       1.038672  5.339590       0.9884504 2.893526       2.951790  
1 1 1 8  38 11 o 9.531319 2.606489  0.6663831      0.7027022 0.7819727      1.063498  0.5768136      0.9361758 0.8769293      5.212979  
1 1 1 8  38 12 o 20.70687 1.778149  4.419084       0.7355431 4.722300       1.064066  4.141609       1.017899  1.372307       3.556298  
1 1 1 8  38 13 o 11.07997 2.564025  1.282315       0.7074304 0.4878644      1.071902  1.895389       0.9416259 -3.880116      5.128049  
1 1 1 8  38 14 o 22.60275 1.886122  5.395009       0.8125421 5.249928       1.003321  5.671505       1.385092  -0.4479980     3.772245  
1 1 1 8  38 15 o 55.96265 1.205786  32.56078       1.337056  37.05099       1.875866  27.92387       1.906266  8.183430       2.411572  
1 1 1 8  38 16 o 29.99022 1.892377  9.902882       1.093128  9.921741       1.793974  9.891745       1.378622  -0.7321930     3.784755  
1 1 1 8  38 17 o 20.85207 2.653233  5.530213       0.9990482 5.636455       1.221507  5.315548       1.736309  2.807899       5.306466  
1 1 1 8  39 0  o 12.77090 4.488157  2.480418       1.468165  1.457680       2.268973  3.217044       1.925620  0.000000       0.000000  
1 1 1 8  39 1  f 51.51966 1.023697  26.67541       1.049946  26.27231       1.555108  27.01308       1.423325  -0.7358170     2.047394  
1 1 1 8  39 2  o 24.25767 1.496528  5.932348       0.7260435 5.910800       1.025901  5.953972       1.027662  -0.8864784E-01 2.993057  
1 1 1 8  39 3  o 18.40757 1.978300  3.502657       0.6976499 2.708892       0.9687126 4.357976       1.005571  -4.710814      3.956600  
1 1 1 8  39 4  o 51.75526 1.047445  27.00850       1.068234  26.30906       1.647335  27.51603       1.403268  -1.203773      2.094890  
1 1 1 8  39 5  o 50.32959 0.9530959 25.43185       0.9588167 24.23816       1.338371  26.69045       1.374285  -2.429977      1.906192  
1 1 1 8  39 6  o 69.87681 0.9519906 49.06709       1.329987  49.09484       1.857099  49.03787       1.905610  0.4956055E-01  1.903981  
1 1 1 8  39 7  o 24.01715 1.491465  5.846006       0.7164131 5.836075       1.013634  5.855918       1.012689  -0.4161263E-01 2.982930  
1 1 1 8  39 8  o 42.84400 1.034263  18.48266       0.8855013 18.56301       1.229004  18.39591       1.276948  0.2060165      2.068525  
1 1 1 8  39 9  o 58.06171 1.055626  34.00751       1.224521  34.22492       1.696171  33.77085       1.769634  0.4118767      2.111253  
1 1 1 8  39 10 o 28.22940 1.455025  7.937946       0.8087571 10.21466       1.236257  6.234561       1.069328  6.981300       2.910049  
1 1 1 8  39 11 o 34.87173 1.204530  12.29124       0.8365606 11.79668       1.124016  12.90535       1.252543  -1.532505      2.409060  
1 1 1 8  39 12 o 73.64034 1.066046  54.56024       1.537573  56.51801       2.453509  53.29411       1.973085  1.994591       2.132092  
1 1 1 8  39 13 o 48.20966 1.036002  23.62301       0.9968495 24.51897       1.466975  22.85437       1.358753  1.656918       2.072004  
1 1 1 8  39 14 o 16.53265 2.597224  3.112043       0.8325635 2.455270       1.083269  4.059870       1.301347  -4.312521      5.194448  
1 1 1 8  39 15 o 23.12895 2.086261  5.880307       0.9402810 5.616755       1.193505  6.311555       1.526701  -0.8625298     4.172521  
1 1 1 8  39 16 o 11.96135 3.280988  1.887806       1.122742  1.868573       1.556058  1.908693       1.621560  -0.8952999E-01 6.561975  
1 1 1 8  40 0  o 38.23532 1.559486  14.80585       1.181411  13.47485       1.631808  16.27200       1.712657  0.000000       0.000000  
1 1 1 8  40 1  o 61.62121 0.9227623 38.10360       1.137070  38.87899       1.623964  37.35786       1.592614  1.229736       1.845525  
1 1 1 8  40 2  o 30.67183 1.232875  9.410295       0.7534968 10.55189       1.117631  8.459011       1.020228  3.391251       2.465750  
1 1 1 8  40 3  o 22.58949 1.701746  5.033700       0.7565150 4.016494       0.9860980 6.488832       1.179417  -5.412268      3.403492  
1 1 1 8  40 4  o 31.75102 1.447127  10.18355       0.9179948 10.34745       1.333311  10.03584       1.265800  0.4727573      2.894255  
1 1 1 8  40 5  o 9.763597 2.607276  0.7464841      0.6966479 0.6689338      0.9656101 0.8306663      1.006052  -0.5484982     5.214551  
1 1 1 8  40 6  o 16.93379 2.136889  2.941416       0.6989395 2.243281       0.9304574 3.845496       1.058840  -4.923671      4.273777  
1 1 1 8  40 7  o 35.53034 1.114401  12.68771       0.7903954 12.16651       1.078009  13.29362       1.162323  -1.564991      2.228802  
1 1 1 8  40 8  o 60.88675 1.110282  37.49843       1.292197  37.69522       1.609309  37.14130       2.167955  0.6190567      2.220563  
1 1 1 8  40 9  o 17.42587 2.000784  3.185057       0.6796486 2.968143       0.9753876 3.389768       0.9475533 -1.478689      4.001569  
1 1 1 8  40 10 o 38.72998 1.256551  15.24119       0.9708153 16.77539       1.395475  13.80225       1.351463  3.817432       2.513102  
1 1 1 8  40 11 o 60.79837 1.058529  37.57700       1.266101  36.60418       1.962165  38.27099       1.657275  -1.499420      2.117058  
1 1 1 8  40 12 o 18.27841 2.024103  3.603633       0.7210422 3.214051       1.007010  4.013505       1.032899  -2.404909      4.048205  
1 1 1 8  40 13 o 15.55867 2.605597  2.828740       0.8011519 3.150098       1.123384  2.496140       1.142867  2.034629       5.211194  
1 1 1 8  40 14 f 16.18448 2.768312  3.206963       0.8576385 3.265583       1.056381  3.093614       1.468949  1.336325       5.536624  
1 1 1 8  40 15 o 31.91129 1.795220  11.28838       1.093277  11.83190       1.383147  10.38338       1.784778  2.975140       3.590441  
1 1 1 8  40 16 o 10.31800 3.088024  1.121339       1.088554  0.9103761      1.428459  1.413528       1.681112  -1.067078      6.176048  
1 1 1 8  41 0  o 54.96370 1.319104  30.45350       1.446293  30.80100       2.042558  30.10407       2.048188  0.000000       0.000000  
1 1 1 8  41 1  o 42.94872 1.034793  18.57784       0.8874562 17.89025       1.275555  19.22293       1.235508  -1.559242      2.069586  
1 1 1 8  41 2  o 48.08481 0.9997939 23.24247       0.9612876 23.92838       1.372262  22.58155       1.347021  1.395512       1.999588  
1 1 1 8  41 3  o 24.42647 1.497798  6.120917       0.7220476 6.707143       0.9783618 5.419670       1.070045  2.664347       2.995596  
1 1 1 8  41 4  o 44.38139 1.096729  19.92881       0.9657670 19.05207       1.441321  20.64318       1.301030  -1.825237      2.193457  
1 1 1 8  41 5  o 11.16405 2.545891  1.264099       0.6739662 1.689979       0.8971941 0.7125376      1.021033  2.814601       5.091781  
1 1 1 8  41 6  o 36.44369 1.243606  13.57143       0.8908450 14.41790       1.179796  12.44867       1.358766  2.752926       2.487211  
1 1 1 8  41 7  o 40.88366 1.159091  16.84684       0.9366890 16.61146       1.230261  17.17149       1.444810  -0.6163788     2.318182  
1 1 1 8  41 8  o 29.37800 1.266057  8.723471       0.7424684 8.464754       1.013572  9.023047       1.090681  -0.9225082     2.532113  
1 1 1 8  41 9  o 22.10194 2.254155  5.648881       0.8596490 4.043561       1.468219  6.486283       1.060419  -6.147247      4.508310  
1 1 1 8  41 10 o 23.96033 1.720711  5.899096       0.8212400 5.586173       1.102987  6.288379       1.230221  -1.378422      3.441422  
1 1 1 8  41 11 o 60.13283 0.9929321 36.65120       1.193890  37.73830       1.704677  35.60461       1.672610  1.758232       1.985864  
1 1 1 8  41 12 o 24.59099 1.668881  6.383506       0.8189381 6.721047       1.144632  6.029530       1.172166  1.437252       3.337761  
1 1 1 8  41 13 o 35.17258 1.393923  13.21276       0.9427619 14.30970       1.214041  11.54645       1.496312  4.228245       2.787845  
1 1 1 8  41 14 o 15.62723 3.006247  3.335156       0.9779665 3.762634       1.179237  2.393506       1.750207  4.501512       6.012493  
1 1 1 8  41 15 o 13.03838 3.179957  2.060393       1.039636  0.9847314      1.309955  3.890889       1.708846  -6.319978      6.359913  
1 1 1 8  42 0  o 135.2036 1.834044  184.7369       4.952772  181.7706       6.874619  187.9380       7.141559  0.000000       0.000000  
1 1 1 8  42 1  o 13.39454 2.554471  1.924713       0.7144721 1.407934       1.013874  2.434500       1.006993  -3.327353      5.108943  
1 1 1 8  42 2  o 51.35751 1.010725  26.54285       1.037913  26.96841       1.460084  26.10814       1.475702  0.8408508      2.021450  
1 1 1 8  42 3  o 72.89211 0.9547402 53.40838       1.391345  52.72657       1.936788  54.13547       2.000055  -0.9533768     1.909480  
1 1 1 8  42 4  o 22.91709 1.877263  5.398503       0.8555771 5.755808       1.177339  4.998646       1.245471  1.680956       3.754526  
1 1 1 8  42 5  o 47.38911 1.401142  21.67489       1.130688  20.74413       1.283381  24.90302       2.390082  -4.007847      2.802284  
1 1 1 8  42 6  o 54.47952 0.9809334 29.91188       1.068810  29.78331       1.510740  30.04072       1.512313  -0.2358017     1.961867  
1 1 1 8  42 7  o 14.98540 2.783987  2.511503       0.7987536 2.207652       1.496571  2.632535       0.9445332 -1.373846      5.567974  
1 1 1 8  42 8  o 17.83352 1.963148  3.278769       0.6968186 3.679163       1.047820  2.961291       0.9330376 1.928123       3.926296  
1 1 1 8  42 9  o 28.63595 1.375326  8.370820       0.7876639 8.322273       1.110434  8.419981       1.117449  -0.1668453     2.750651  
1 1 1 8  42 10 o 26.49994 1.472406  7.210407       0.7801822 7.239805       1.116675  7.182373       1.090479  0.9147072E-01  2.944813  
1 1 1 8  42 11 o 7.731889 2.378113  -0.1705651     0.7295545 -0.9328887     1.055761  0.5261384      1.009299  -2.313558      4.756226  
1 1 1 8  42 12 o 8.544421 2.611000  -0.1400390     0.8924972 0.9083296      1.204645  -1.415714      1.328838  3.107565       5.221999  
1 1 1 8  42 13 o 16.93089 2.911242  3.892483       0.9400403 4.270011       1.086740  2.770447       1.873501  5.565863       5.822484  
1 1 1 8  42 14 o 14.05762 3.038820  2.718388       1.008499  3.396914       1.263809  1.528839       1.673359  4.951675       6.077639  
1 1 1 8  43 0  o 82.01052 1.790679  67.89516       2.697483  67.49564       3.232937  68.81066       4.893865  0.000000       0.000000  
1 1 1 8  43 1  o 24.49659 1.869137  6.150809       0.9127243 6.722879       1.291963  5.580816       1.289614  2.330046       3.738275  
1 1 1 8  43 2  o 31.26147 1.642683  9.888389       1.023709  10.83605       1.522404  9.106229       1.383089  2.711626       3.285365  
1 1 1 8  43 3  o 48.49682 1.246018  23.79231       1.205044  23.86574       1.644384  23.70714       1.771033  0.2042809      2.492037  
1 1 1 8  43 4  o 72.48747 1.074657  53.10592       1.545898  52.40652       2.327325  53.65815       2.068033  -0.9421463     2.149314  
1 1 1 8  43 5  o 14.34419 2.609677  2.334275       0.7774799 1.486548       1.199837  2.947864       1.020783  -4.475070      5.219354  
1 1 1 8  43 6  o 15.00445 2.730662  2.398135       0.8069443 2.893951       1.316091  2.099454       1.021479  2.298243       5.461324  
1 1 1 8  43 7  o 21.01377 1.817288  4.565742       0.7599172 3.981674       1.053468  5.199355       1.097239  -2.867489      3.634575  
1 1 1 8  43 8  o 68.32117 0.9896471 47.19245       1.351471  47.31167       1.880541  47.06510       1.943555  0.2050705      1.979294  
1 1 1 8  43 9  f 56.20741 1.062445  31.99841       1.187441  31.82715       1.594206  32.21182       1.779646  -0.2590065     2.124889  
1 1 1 8  43 10 o 17.33327 2.344228  3.346845       0.7880661 2.328596       1.080484  4.504214       1.151932  -6.379448      4.688456  
1 1 1 8  43 11 o 22.32187 2.279620  5.324391       0.9553837 5.025265       1.155355  5.971249       1.698996  -1.276602      4.559239  
1 1 1 8  43 12 o 11.14236 2.912349  1.345741       0.8348712 1.143427       1.049873  1.693734       1.376921  -1.638771      5.824698  
1 1 1 8  43 13 o 22.68401 2.547887  6.096756       1.155467  5.977628       1.642107  6.213581       1.626163  -0.5609074     5.095774  
1 1 1 8  43 14 o 8.652335 2.729412  -0.1963243     1.032866  -1.614664      1.446687  1.278304       1.475114  -3.630269      5.458824  
1 1 1 8  44 0  o 14.11448 3.621855  2.725202       1.005692  1.805814       1.368919  3.803302       1.482373  0.000000       0.000000  
1 1 1 8  44 1  o 11.23568 2.786423  1.245596       0.7746642 1.488840       0.9624656 0.7981533      1.305368  1.223923       5.572845  
1 1 1 8  44 2  o 42.43524 1.169380  18.24627       0.9849875 17.87975       1.478274  18.53892       1.320933  -0.8295326     2.338760  
1 1 1 8  44 3  o 50.54752 1.000888  25.75608       1.011218  26.97439       1.438507  24.56592       1.421796  2.377628       2.001777  
1 1 1 8  44 4  o 41.39025 1.342460  17.96916       1.064081  14.96748       1.682879  19.96862       1.373494  -6.158485      2.684921  
1 1 1 8  44 5  o 32.78962 1.232385  10.91790       0.8066283 10.92995       1.107451  10.90429       1.177234  0.6992722E-01  2.464770  
1 1 1 8  44 6  o 28.87648 1.414782  8.400955       0.8117581 7.525786       1.076970  9.552239       1.235233  -3.428087      2.829565  
1 1 1 8  44 7  o 26.63554 1.574290  7.226779       0.8347214 6.486404       1.120399  8.150382       1.251381  -3.040606      3.148580  
1 1 1 8  44 8  o 6.910446 2.253181  -0.6810564     0.7277914 -0.8132070     1.032314  -0.5504620     1.026218  -0.3482871     4.506362  
1 1 1 8  44 9  o 9.225577 2.410576  0.2317859      0.7467537 -1.435632      1.083423  1.740834       1.030688  -6.165125      4.821152  
1 1 1 8  44 10 o 20.33882 2.433475  4.643386       0.9490098 4.638112       1.235747  4.650969       1.481689  0.6873016      4.866949  
1 1 1 8  44 11 o 15.18128 3.102242  3.162601       1.087114  3.961594       1.317564  1.458645       1.924108  6.252307       6.204484  
1 1 1 8  44 12 o 16.74013 2.849010  4.152616       1.059724  5.297360       1.260246  1.389187       1.958057  10.17203       5.698020  
1 1 1 8  44 13 o 9.441296 2.904179  0.2945269      1.029726  -0.5028335     1.329001  1.492234       1.628820  -3.496427      5.808359  
1 1 1 8  45 0  o 44.75703 1.729463  20.41418       1.508050  20.72558       2.385571  20.20691       1.946268  0.000000       0.000000  
1 1 1 8  45 1  o 38.87218 1.711892  15.53355       1.327242  16.07168       1.832150  14.93930       1.925323  1.506180       3.423784  
1 1 1 8  45 2  o 25.10623 1.863740  6.179925       0.9112462 8.479002       1.489337  4.804262       1.152053  7.106028       3.727481  
1 1 1 8  45 3  o 59.21223 1.309777  35.29928       1.475387  37.00678       2.533744  34.42332       1.814795  1.830498       2.619555  
1 1 1 8  45 4  o 78.80254 1.279769  62.95959       1.864576  63.62801       3.354043  62.66063       2.243136  0.1069183      2.559538  
1 1 1 8  45 5  o 29.51816 1.517289  8.936481       0.8760552 8.906772       1.389228  8.956095       1.128787  -0.2347603     3.034577  
1 1 1 8  45 6  o 9.820244 2.744743  0.6499720      0.8217427 0.1521863E-01  1.301307  1.070959       1.059771  -1.622949      5.489487  
1 1 1 8  45 7  o 15.16605 2.795124  2.560602       0.8555229 3.360659       1.334530  2.002405       1.114710  3.835412       5.590248  
1 1 1 8  45 8  o 18.26260 2.545436  4.002379       0.8729613 2.910055       1.400033  4.697201       1.116604  -5.513128      5.090872  
1 1 1 8  45 9  o 23.10401 1.970248  5.520037       0.8835760 4.911262       1.101612  6.618069       1.479475  -3.196007      3.940495  
1 1 1 8  45 10 o 19.78336 2.984368  4.874915       1.013883  5.008834       1.167016  4.462708       2.047449  3.476543       5.968736  
1 1 1 8  45 11 o 10.45407 3.031283  1.001794       0.9704495 0.9544681      1.187828  1.096794       1.682924  -0.9716740     6.062566  
1 1 1 8  45 12 f 16.61464 3.518002  4.045336       1.231936  4.214002       1.415566  3.518806       2.501084  3.490458       7.036004  
1 1 1 8  46 0  o 107.6710 1.951817  117.9009       3.947411  116.9370       4.819606  119.8650       6.880043  0.000000       0.000000  
1 1 1 8  46 1  o 69.28779 1.056864  48.14824       1.446268  51.07013       2.255744  46.10877       1.884593  3.438583       2.113729  
1 1 1 8  46 2  o 18.09646 2.155536  3.499130       0.7562383 3.026773       1.072433  3.966326       1.066556  -2.874340      4.311072  
1 1 1 8  46 3  o 21.64004 1.669426  4.819481       0.7189616 5.505229       1.043105  4.198873       0.9923254 2.984535       3.338852  
1 1 1 8  46 4  o 39.38389 1.234739  15.66917       0.9618535 16.42509       1.488290  15.12697       1.260456  1.539665       2.469478  
1 1 1 8  46 5  o 21.36711 1.806307  4.747030       0.7718521 4.803117       1.090176  4.690656       1.092957  0.2653236      3.612615  
1 1 1 8  46 6  f 24.64560 1.634174  6.365356       0.8020434 6.695174       1.105431  5.998742       1.165470  1.470247       3.268347  
1 1 1 8  46 7  o 8.351950 2.533623  0.1759253      0.7606517 0.3436812      1.078956  0.1016441E-01  1.072521  0.6499968      5.067246  
1 1 1 8  46 8  o 10.94649 2.842735  1.230348       0.8807762 1.848754       1.096988  0.1084543      1.477544  3.218105       5.685471  
1 1 1 8  46 9  o 15.13194 2.800920  3.190012       0.9758709 4.046319       1.138737  0.8221649      1.893588  8.139328       5.601840  
1 1 1 8  46 10 o 9.367941 3.116790  -0.4372979     1.040620  -0.6476379     1.130098  0.7354000      2.668384  -4.615582      6.233581  
1 1 1 8  46 11 o 6.332940 3.119556  0.000000       0.000000  ?              ?         -2.234867      1.375599  ?              ?         
1 1 1 8  46 12 f 10.99177 3.270069  1.484456       1.231111  1.166815       1.813276  1.756092       1.676826  -0.8496590     6.540137  
1 1 1 8  47 0  o 47.59888 1.504031  23.13112       1.421287  24.37623       1.974382  21.79192       2.047623  0.000000       0.000000  
1 1 1 8  47 1  o 16.51450 2.275265  2.937364       0.7355822 3.321686       1.041465  2.554800       1.039080  2.601769       4.550530  
1 1 1 8  47 2  o 11.59260 2.665533  1.436419       0.7157798 1.676640       0.9945691 1.178306       1.030942  1.497683       5.331067  
1 1 1 8  47 3  o 30.46125 1.455735  9.623158       0.8787254 10.90615       1.229999  8.285746       1.255814  4.319647       2.911470  
1 1 1 8  47 4  o 18.57822 2.426110  3.931529       0.8549590 3.376382       1.334641  4.317878       1.113399  -3.150372      4.852219  
1 1 1 8  47 5  o 20.14903 2.013151  4.377447       0.8042977 4.593745       1.089279  4.118158       1.192631  1.311098       4.026302  
1 1 1 8  47 6  o 25.14430 1.789089  6.733749       0.8955804 7.172819       1.240541  6.255839       1.294249  1.887968       3.578178  
1 1 1 8  47 7  o 14.49338 2.838396  3.039644       0.9778333 3.713466       1.059518  -0.8317657     2.539629  8.013844       5.676793  
1 1 1 8  47 8  o 25.44377 2.743692  7.875496       1.084303  8.140589       1.236798  6.994953       2.254107  4.640091       5.487384  
1 1 1 8  47 9  o 25.47391 2.628428  7.554681       1.324956  6.948698       1.729874  8.414705       2.060815  -2.073582      5.256856  
1 1 1 8  47 10 o 11.71968 3.557283  1.278102       1.426487  0.8751706      1.754953  2.062709       2.448928  -2.241695      7.114565  
1 1 1 8  47 11 o 11.45803 3.317703  1.761596       1.270316  0.7175635      2.072225  2.390140       1.607858  -2.410366      6.635406  
1 1 1 8  48 0  o 11.51738 3.988333  2.156684       1.103982  1.621979       1.504956  2.779641       1.624412  0.000000       0.000000  
1 1 1 8  48 1  o 21.06247 1.934042  4.730471       0.8119719 4.883633       1.116965  4.558826       1.182433  0.8475475      3.868085  
1 1 1 8  48 2  o 50.26678 1.061697  25.75334       1.066573  24.40263       1.489071  27.17637       1.528422  -2.732910      2.123395  
1 1 1 8  48 3  o 31.08855 1.370467  10.01189       0.8515989 9.652685       1.206968  10.36799       1.201734  -1.155210      2.740935  
1 1 1 8  48 4  o 43.16851 1.301429  19.09290       1.108360  20.10293       1.732317  18.39286       1.442182  1.726528       2.602859  
1 1 1 8  48 5  f 33.84528 1.843324  12.33975       1.058838  12.47650       1.219669  11.92137       2.133349  1.921341       3.686647  
1 1 1 8  48 6  o 11.22599 3.052425  1.342525       0.9019094 1.488928       1.024788  0.8395069      1.899554  0.2457113      6.104850  
1 1 1 8  48 7  o 16.64541 3.373189  3.180859       1.115632  2.272147       1.323279  5.414163       2.074493  -6.481066      6.746379  
1 1 1 8  48 8  o 17.09500 3.944586  4.328384       1.552267  5.198045       2.329586  3.633928       2.081738  2.806802       7.889172  
1 1 1 8  48 9  o 17.46305 3.568878  3.743869       1.310545  6.791600       2.315422  2.307242       1.589695  8.641025       7.137756  
1 1 1 8  48 10 o 9.900120 3.190887  0.3370596      1.465460  1.336520       1.854742  -1.323611      2.390796  1.857673       6.381773  
1 1 1 8  49 0  o 6.688349 3.305991  -1.056085      1.265140  -1.457693      1.485539  0.4219187E-02  2.413780  0.000000       0.000000  
1 1 1 8  49 1  o 11.53542 2.902825  1.259488       0.9591363 2.442766       1.310029  -0.1076362     1.408125  5.373941       5.805649  
1 1 1 8  49 2  o 14.73793 2.997697  2.629115       0.9366637 2.246758       1.304556  3.035963       1.345686  -2.196452      5.995394  
1 1 1 8  49 3  o 49.77785 1.600806  26.38159       1.508915  27.04717       1.874767  25.15742       2.542520  2.673733       3.201612  
1 1 1 8  49 4  o 61.04568 1.444485  39.49232       1.677830  40.81860       2.099666  37.14926       2.790771  3.769207       2.888969  
1 1 1 8  49 5  f 29.17002 2.981395  10.19067       1.278419  10.19397       1.423887  10.17697       2.903342  3.656776       5.962791  
1 1 1 8  49 6  o 25.29971 2.669174  7.544046       1.345847  6.791654       1.829780  8.430835       1.986493  -2.853830      5.338349  
1 1 1 8  49 7  o 20.23442 3.197107  4.685548       1.280251  8.533544       2.254492  2.854074       1.555363  11.55520       6.394213  
1 1 1 8  49 8  f 15.43695 3.621481  3.176744       1.587787  6.035173       2.239227  0.2862143      2.251765  9.742743       7.242962  
1 1 1 8  49 9  o 7.865845 2.760792  -3.041343      1.596627  -3.622453      2.089253  -2.225500      2.475515  -1.421249      5.521585  
1 1 1 8  50 0  o 7.406841 3.539387  -0.3867099E-01 1.236889  -0.1179690     1.413027  0.2212485      2.558226  0.000000       0.000000  
1 1 1 8  50 1  o 17.53413 3.005316  3.687546       1.025006  3.193715       1.305695  4.480631       1.654674  -2.731295      6.010632  
1 1 1 8  50 2  o 21.33860 2.776414  5.714007       1.070819  6.421288       1.333321  4.428927       1.797231  5.938553       5.552829  
1 1 1 8  50 3  o 10.28059 3.067376  0.7843032      1.094046  1.210625       1.374916  0.4845369E-01  1.806350  1.094941       6.134751  
1 1 1 8  50 4  o 13.54320 3.184413  1.616329       1.284678  -1.040098      1.738697  4.810229       1.906494  -10.33775      6.368826  
1 1 1 8  50 5  o 18.42368 3.892782  5.055342       1.528247  5.078529       1.907197  5.013744       2.554503  1.670580       7.785564  
1 1 1 8  50 6  o 12.56851 3.742795  1.933025       1.564320  2.008141       1.919079  1.784277       2.700535  -0.7942104E-01 7.485590  
1 1 1 8  50 7  o 11.54841 3.467915  1.500668       1.449795  2.219234       1.878350  0.4417265      2.280232  2.070949       6.935830  
1 1 1 8  50 8  o 12.06649 3.664042  1.995921       1.576289  1.248978       2.068614  3.030160       2.434145  -2.362922      7.328084  
1 1 1 8  51 0  o 9.525671 6.115622  1.310591       2.556835  1.310591       2.556835  1.310591       2.556835  0.000000       0.000000  
1 1 1 8  51 1  o 14.58096 4.053312  3.177346       1.758883  2.536858       2.687252  3.657390       2.326451  -1.813110      8.106625  
1 1 1 8  51 2  o 12.90988 5.461377  0.000000       0.000000  ?              ?         2.068288       2.434355  ?              ?         
1 1 1 8  51 3  o 15.82034 5.844349  0.000000       0.000000  ?              ?         4.051604       2.443839  ?              ?         
1 1 1 8  51 4  o 18.21414 5.784170  0.000000       0.000000  ?              ?         5.200648       2.363543  ?              ?         
1 1 1 8  51 5  o 11.09984 5.184757  0.000000       0.000000  ?              ?         0.2406082      2.835221  ?              ?         
1 1 1 8  51 6  o 23.71135 5.904902  0.000000       0.000000  ?              ?         9.437337       2.792939  ?              ?         
1 1 1 8  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8  52 2  o 8.708049 4.150411  0.000000       0.000000  ?              ?         -1.081282      1.980553  ?              ?         
1 1 1 8  52 3  o 8.195319 4.000078  0.000000       0.000000  ?              ?         -2.053776      2.153181  ?              ?         
1 1 1 8  52 4  o 10.48022 4.953817  0.000000       0.000000  ?              ?         0.1941385      2.768900  ?              ?         
1 1 1 8  53 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8  53 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9  0  1  o 301.4604 4.454833  904.1464       24.99917  891.1833       30.18155  932.4763       44.61789  0.000000       0.000000  
1 1 1 9  0  2  o 55.63708 1.134471  31.03037       1.259937  30.48119       1.769408  31.59524       1.794496  0.000000       0.000000  
1 1 1 9  0  3  o 93.18565 1.611298  87.01073       2.998945  86.75673       4.251583  87.26225       4.230790  0.000000       0.000000  
1 1 1 9  0  4  o 47.19313 1.162064  22.34801       1.093654  21.67882       1.533221  23.04120       1.560459  0.000000       0.000000  
1 1 1 9  0  5  o 380.7916 6.483597  1451.306       49.19376  1394.827       66.81214  1518.180       72.70135  0.000000       0.000000  
1 1 1 9  0  6  o 323.1551 5.504230  1047.328       35.52489  1038.642       49.81010  1056.321       50.68078  0.000000       0.000000  
1 1 1 9  0  7  o 85.54330 1.586292  73.28505       2.696535  73.84738       4.024097  72.82676       3.632804  0.000000       0.000000  
1 1 1 9  0  8  o 14.25514 3.043466  2.453567       0.4740218 2.490273       1.623421  2.450146       0.4956201 0.000000       0.000000  
1 1 1 9  0  9  o 122.0458 1.917894  146.9820       4.284926  154.8071       7.921081  143.7448       5.094714  0.000000       0.000000  
1 1 1 9  0  10 o 79.45096 1.376251  61.00698       1.698564  66.86842       4.026296  59.73796       1.873436  0.000000       0.000000  
1 1 1 9  0  11 o 80.51303 1.372284  67.40351       1.868658  60.35975       3.747897  69.73382       2.155716  0.000000       0.000000  
1 1 1 9  0  12 o 152.1411 2.332305  233.2094       6.683556  228.8292       11.51490  235.4347       8.207607  0.000000       0.000000  
1 1 1 9  0  13 o 173.1099 2.637178  302.6942       8.592626  295.2144       14.80001  306.4974       10.55344  0.000000       0.000000  
1 1 1 9  0  14 o 14.37057 2.983038  2.313784       0.7564635 2.313784       0.7564635 2.313784       0.7564635 0.000000       0.000000  
1 1 1 9  0  15 o 95.34445 1.640746  95.35419       2.656341  83.23892       5.257600  99.50682       3.078103  0.000000       0.000000  
1 1 1 9  0  16 o 97.15733 1.650268  97.12878       2.689749  90.47536       5.514549  99.20578       3.081110  0.000000       0.000000  
1 1 1 9  0  17 o 65.08488 1.683739  42.53360       1.795012  42.98390       3.871486  42.41029       2.025930  0.000000       0.000000  
1 1 1 9  0  18 o 7.746211 3.382354  0.4098017      1.078370  -3.936200      2.813786  1.158026       1.167514  0.000000       0.000000  
1 1 1 9  0  19 o 37.83880 1.393407  14.41809       1.051378  14.41809       1.051378  14.41809       1.051378  0.000000       0.000000  
1 1 1 9  0  20 o 30.84439 2.883649  8.825315       0.8627546 11.91223       3.331487  8.603407       0.8932266 0.000000       0.000000  
1 1 1 9  0  21 o 7.775828 3.782026  0.2134909      0.8053502 -0.7345450     3.748502  0.2593687      0.8246064 0.000000       0.000000  
1 1 1 9  0  22 o 22.73759 4.126802  6.344969       0.9063287 6.989414       3.150665  6.286829       0.9463282 0.000000       0.000000  
1 1 1 9  0  23 o 12.03146 3.454317  2.556856       0.9007021 0.2516813      2.835080  2.815644       0.9499157 0.000000       0.000000  
1 1 1 9  0  24 o 27.51594 3.647673  11.18287       1.175263  7.067730       2.609717  12.22977       1.316296  0.000000       0.000000  
1 1 1 9  1  0  o 316.9110 3.805129  1006.572       24.10191  1009.213       34.18680  1003.963       33.98458  0.000000       0.000000  
1 1 1 9  1  1  o 188.8929 1.857941  357.0076       7.018280  359.3302       10.01154  354.7634       9.841343  1.206680       3.715882  
1 1 1 9  1  2  o 333.5092 2.828068  1112.648       18.84645  1085.514       25.99116  1142.732       27.36793  -8.552612      5.656136  
1 1 1 9  1  3  o 133.1326 1.143010  177.1824       3.042136  180.4447       4.380194  174.1425       4.228286  2.365906       2.286020  
1 1 1 9  1  4  o 207.8908 2.295177  429.6677       9.263757  421.0821       11.70922  444.0331       15.14622  -5.484024      4.590353  
1 1 1 9  1  5  o 350.4446 4.209030  1229.582       29.48341  1205.963       40.86464  1255.224       42.57990  -7.000702      8.418060  
1 1 1 9  1  6  f 189.9794 2.106089  358.8785       7.774186  370.1284       12.67963  352.1020       9.840905  4.726334       4.212177  
1 1 1 9  1  7  o 388.9200 3.809264  1514.699       29.62997  1514.230       41.90462  1515.167       41.90159  -0.1205444     7.618527  
1 1 1 9  1  8  o 244.1942 2.079739  596.5604       10.15625  591.6395       14.24571  601.6468       14.48346  -2.046844      4.159479  
1 1 1 9  1  9  o 208.2327 1.781488  433.6797       7.416710  441.1155       10.65996  426.7031       10.32565  3.456497       3.562975  
1 1 1 9  1  10 o 206.3477 1.769819  426.0240       7.302245  432.2937       10.46576  420.0761       10.19349  2.955719       3.539639  
1 1 1 9  1  11 o 194.4443 1.672900  378.3794       6.504014  373.4064       9.073901  383.6343       9.327468  -2.624146      3.345800  
1 1 1 9  1  12 o 71.99231 1.140786  51.50717       1.636833  46.70848       2.214232  57.28912       2.430518  -7.343925      2.281572  
1 1 1 9  1  13 o 186.7975 2.084838  349.3110       7.622470  353.4372       12.12714  346.6163       9.800392  1.703720       4.169677  
1 1 1 9  1  14 o 33.59119 0.9231697 11.29351       0.6200960 11.08586       0.8790116 11.49922       0.8748989 -0.6153870     1.846339  
1 1 1 9  1  15 o 132.1109 1.201739  174.7683       3.175071  176.7248       4.519701  172.8621       4.461324  1.459412       2.403478  
1 1 1 9  1  16 o 120.6376 1.116944  145.6662       2.692591  150.5418       3.908302  141.2612       3.714855  3.832565       2.233888  
1 1 1 9  1  17 f 13.51661 2.830217  1.319654       0.7274452 0.8120224      0.8176137 3.247842       1.593487  -7.862537      5.660433  
1 1 1 9  1  18 o 9.703611 2.607397  0.5883881      0.7372625 -0.5447415E-01 1.067540  1.174600       1.019418  -2.836036      5.214793  
1 1 1 9  1  19 o 61.94552 0.9081844 38.48896       1.123572  37.19444       1.540061  39.96207       1.642859  -2.213764      1.816369  
1 1 1 9  1  20 o 25.38363 1.176479  6.518886       0.5959174 6.591435       0.8184503 6.437029       0.8693609 0.3209305      2.352958  
1 1 1 9  1  21 o 21.68098 1.401587  4.787988       0.6072429 4.643335       0.8379795 4.947943       0.8811914 -0.6807346     2.803174  
1 1 1 9  1  22 o 25.97091 1.494362  6.811866       0.7455819 6.340947       0.9203882 7.710768       1.271611  -2.315321      2.988723  
1 1 1 9  1  23 o 39.33341 1.037171  15.86524       0.8158572 15.68497       1.146031  16.05049       1.161722  -0.4509506     2.074342  
1 1 1 9  1  24 o 22.81015 1.737327  5.747474       0.7835031 4.731514       1.083592  6.860593       1.134223  -4.558710      3.474654  
1 1 1 9  2  0  o 78.89148 1.008056  62.29598       1.589203  62.92608       2.268182  61.68838       2.227319  0.000000       0.000000  
1 1 1 9  2  1  o 200.0758 1.966176  399.4845       7.850788  384.5644       10.68809  416.9672       11.56961  -8.085815      3.932352  
1 1 1 9  2  2  o 148.5183 1.375358  219.7007       4.019642  225.8803       6.313140  215.4874       5.212846  3.489105       2.750717  
1 1 1 9  2  3  o 72.29222 0.7208737 52.22674       1.029447  52.51468       1.587211  52.01766       1.352508  0.3428345      1.441747  
1 1 1 9  2  4  o 343.5438 3.365786  1181.694       23.12227  1194.536       33.05456  1169.389       32.35627  3.649261       6.731572  
1 1 1 9  2  5  o 201.5482 1.986612  405.3667       7.992464  422.1401       11.75295  390.9364       10.90115  7.734589       3.973224  
1 1 1 9  2  6  o 83.20581 0.9621571 69.46510       1.505046  68.56824       2.613744  69.90998       1.840862  -0.8084641     1.924314  
1 1 1 9  2  7  f 264.5696 3.646719  713.1221       17.17534  673.8571       32.43997  728.4160       20.24579  -10.45908      7.293438  
1 1 1 9  2  8  o 70.76420 0.7050676 49.87839       0.9958438 53.55935       1.464846  46.71531       1.357898  4.835464       1.410135  
1 1 1 9  2  9  o 80.71733 0.8514684 65.05949       1.360199  65.86595       2.085546  64.46252       1.794353  0.8675919      1.702937  
1 1 1 9  2  10 o 76.37628 0.8533503 58.14986       1.292421  59.80172       1.972298  56.90676       1.710954  1.892990       1.706701  
1 1 1 9  2  11 o 124.1001 1.327810  153.0052       2.943184  156.5843       5.643609  151.6682       3.449393  1.940819       2.655619  
1 1 1 9  2  12 o 206.4425 1.923936  426.0957       7.839124  432.5895       12.15138  421.4665       10.25957  2.626907       3.847873  
1 1 1 9  2  13 o 38.10499 1.134540  0.000000       0.000000  ?              ?         14.52658       0.8646326 ?              ?         
1 1 1 9  2  14 o 170.2493 1.829209  289.4811       5.847015  294.0493       10.25009  287.2777       7.118852  1.823227       3.658417  
1 1 1 9  2  15 o 111.3073 1.106302  124.4495       2.406745  122.1224       3.815575  125.9872       3.101593  -1.764351      2.212605  
1 1 1 9  2  16 o 44.93232 0.8177951 20.23587       0.7341033 21.01144       1.028861  19.43157       1.047755  1.759056       1.635590  
1 1 1 9  2  17 o 77.75543 1.187456  60.89841       1.753747  61.34378       2.168850  60.05715       2.980795  0.9220428      2.374912  
1 1 1 9  2  18 o 61.31315 1.017587  37.75264       1.247289  38.82185       1.757821  36.66843       1.770111  1.757721       2.035173  
1 1 1 9  2  19 o 30.43144 1.086611  9.314942       0.6608725 8.983352       0.9140059 9.678223       0.9566838 -1.131678      2.173222  
1 1 1 9  2  20 o 7.961390 2.217679  0.3953006      0.5227317 0.5446587      0.7113438 0.2199631      0.7707309 0.7020583      4.435358  
1 1 1 9  2  21 o 10.06902 2.203603  0.8417831      0.5648858 -0.1320317E-01 0.7604820 1.894190       0.8437256 -6.196530      4.407207  
1 1 1 9  2  22 o 9.471018 2.576774  0.7790303      0.7074872 1.125669       0.8709120 0.1063957      1.213181  1.600106       5.153547  
1 1 1 9  2  23 o 22.82850 1.745887  5.791149       0.7517145 6.378921       0.9551874 4.834836       1.218384  3.758480       3.491775  
1 1 1 9  2  24 o 24.64042 1.575823  6.608534       0.7762691 6.814255       1.098717  6.403491       1.096905  0.8299294      3.151646  
1 1 1 9  3  0  o 249.9838 3.010752  625.9841       15.04234  623.5879       21.15613  628.4340       21.39199  0.000000       0.000000  
1 1 1 9  3  1  o 155.8648 1.545613  242.0752       4.803291  231.3929       6.492423  254.9924       7.139324  -7.563721      3.091226  
1 1 1 9  3  2  o 73.46758 1.072934  53.72380       1.250753  54.41692       2.836754  53.55655       1.393517  0.5763321      2.145868  
1 1 1 9  3  3  o 146.3126 1.301188  212.9471       3.658039  218.3477       6.123194  209.9500       4.561499  2.859100       2.602376  
1 1 1 9  3  4  o 203.6094 2.005073  414.6642       8.163217  409.8075       11.40115  419.7730       11.69346  -2.444656      4.010146  
1 1 1 9  3  5  o 358.1169 3.508636  1283.330       25.11792  1308.707       36.20715  1259.787       34.87452  6.812805       7.017271  
1 1 1 9  3  6  o 303.1194 2.972210  917.7332       17.99110  889.5681       24.63624  949.9167       26.33515  -9.939636      5.944419  
1 1 1 9  3  7  o 439.7072 4.572195  1935.445       37.84780  1943.471       65.81785  1931.480       46.26156  1.051727       9.144390  
1 1 1 9  3  8  o 215.6054 1.901359  465.7129       7.955719  462.4105       12.89691  467.7415       10.10808  -1.260162      3.802718  
1 1 1 9  3  9  o 128.4788 1.170210  165.4040       2.919958  163.8965       4.721955  166.3374       3.715526  -0.9584274     2.340420  
1 1 1 9  3  10 o 82.90324 0.8519160 67.07670       1.332775  73.71099       2.354814  63.94992       1.616621  5.880722       1.703832  
1 1 1 9  3  11 o 65.95493 0.9162946 42.51491       1.058453  45.58905       2.116657  41.48988       1.222245  3.096199       1.832589  
1 1 1 9  3  12 o 72.62320 0.8474751 52.43373       1.212140  54.59267       1.903562  50.96128       1.572064  2.494926       1.694950  
1 1 1 9  3  13 o 164.2430 2.040241  0.000000       0.000000  ?              ?         270.1580       6.701906  ?              ?         
1 1 1 9  3  14 o 68.94262 0.9867102 45.82053       1.252796  52.03304       2.334433  43.30756       1.484710  6.303406       1.973420  
1 1 1 9  3  15 o 142.4679 1.336473  202.7232       3.683996  205.7857       6.050185  200.9187       4.644228  1.640198       2.672946  
1 1 1 9  3  16 o 134.1015 1.421317  180.4964       3.811414  180.2986       5.341503  180.7015       5.440157  -0.1410828     2.842635  
1 1 1 9  3  17 o 74.30859 1.241107  55.47109       1.844080  54.31303       2.614361  56.61782       2.601532  -1.552422      2.482215  
1 1 1 9  3  18 o 42.54137 0.9663288 17.92527       0.8045658 19.27414       1.296894  17.08132       1.025836  2.542702       1.932658  
1 1 1 9  3  19 o 29.03664 1.091455  8.492766       0.6338269 8.427928       0.8968449 8.557467       0.8958892 -0.2232876     2.182911  
1 1 1 9  3  20 o 26.06863 1.139487  6.901572       0.5877118 7.131666       0.7839845 6.606374       0.8879998 1.041073       2.278974  
1 1 1 9  3  21 o 13.70322 2.100978  1.927710       0.5752643 1.260633       0.7564363 2.842692       0.8859126 -5.714091      4.201957  
1 1 1 9  3  22 o 22.68860 1.784575  5.494922       0.7393920 5.589581       0.8885167 5.281751       1.333369  1.161257       3.569150  
1 1 1 9  3  23 o 42.16193 1.138977  18.71386       0.9282023 20.09690       1.199188  16.64691       1.465997  4.349171       2.277955  
1 1 1 9  3  24 o 33.07412 1.280138  11.58501       0.8463831 11.60507       1.215917  11.56615       1.178875  -0.1621246E-02 2.560277  
1 1 1 9  4  0  o 36.74577 0.9378411 13.84039       0.6648045 14.86482       0.8589240 12.30969       1.049930  0.000000       0.000000  
1 1 1 9  4  1  o 227.1740 1.995765  517.5226       8.806320  511.9742       14.23066  520.9661       11.21072  -2.018219      3.991529  
1 1 1 9  4  2  o 280.7668 3.781092  788.5832       16.94525  792.8937       38.04090  787.5161       18.92673  0.5486145      7.562183  
1 1 1 9  4  3  f 198.2945 1.745932  393.5747       6.708713  392.5877       10.92996  394.1714       8.497760  -0.4206848     3.491865  
1 1 1 9  4  4  o 129.7551 1.221652  167.1991       3.110740  174.4373       4.944707  162.4579       4.001877  4.611229       2.443305  
1 1 1 9  4  5  o 177.7379 1.760141  315.7645       6.252843  309.6539       8.658545  322.4245       9.039460  -3.590134      3.520282  
1 1 1 9  4  6  o 97.34094 1.024535  94.75155       1.993967  94.39804       2.783068  95.12440       2.858224  -0.3728638     2.049070  
1 1 1 9  4  7  o 343.0253 3.366858  1173.559       23.03026  1234.242       34.19076  1123.160       31.15933  16.15424       6.733715  
1 1 1 9  4  8  o 183.1963 1.635032  332.0439       5.718102  347.9287       9.760160  323.7423       7.055804  6.580948       3.270065  
1 1 1 9  4  9  o 106.4576 1.047230  113.6099       2.219157  110.5714       3.277908  116.1810       3.015245  -2.636749      2.094460  
1 1 1 9  4  10 o 116.1249 1.235779  137.9962       2.676657  126.1282       4.621611  143.9863       3.283383  -7.705856      2.471557  
1 1 1 9  4  11 o 70.12849 0.9751531 48.70076       1.269278  50.53046       2.286330  47.88562       1.526045  1.875206       1.950306  
1 1 1 9  4  12 o 24.74738 1.160765  6.081769       0.5628992 6.358008       0.8991470 5.903725       0.7218568 0.9139519      2.321530  
1 1 1 9  4  13 o 88.88464 1.072784  79.19160       1.819432  78.66042       3.069238  79.47938       2.259174  -0.4822617     2.145569  
1 1 1 9  4  14 o 163.0240 1.761069  265.4765       5.391750  269.3611       9.444591  263.5984       6.567040  1.616867       3.522139  
1 1 1 9  4  15 o 85.71368 1.086046  75.30140       1.744083  68.41101       2.979983  78.89127       2.150956  -6.145988      2.172092  
1 1 1 9  4  16 o 60.56121 0.9697396 36.71354       1.174090  35.81543       1.632091  37.67681       1.690266  -1.533089      1.939479  
1 1 1 9  4  17 o 63.65420 1.235147  40.70206       1.572221  41.16362       2.213440  40.23203       2.233610  0.7342987      2.470295  
1 1 1 9  4  18 o 69.06374 0.9352233 47.96667       1.282585  46.88405       1.920575  48.83816       1.723142  -1.439415      1.870447  
1 1 1 9  4  19 o 20.61952 1.763293  4.172381       0.6884429 4.828027       1.218401  3.864879       0.8344105 2.190351       3.526585  
1 1 1 9  4  20 o 43.23264 0.8655204 18.82483       0.7455115 20.94464       1.063666  16.77797       1.045202  4.814335       1.731041  
1 1 1 9  4  21 o 29.85132 1.089607  8.999269       0.6464347 8.834801       0.8635516 9.208905       0.9749436 -0.5821247     2.179214  
1 1 1 9  4  22 o 12.82143 2.347167  1.843023       0.6011149 1.662215       0.7871276 2.096025       0.9311054 -1.402087      4.694334  
1 1 1 9  4  23 o 18.30804 2.033863  3.507733       0.7103760 3.094785       0.8642546 4.367765       1.247244  -2.785906      4.067726  
1 1 1 9  4  24 o 9.482686 2.405107  0.5974886      0.7155448 -0.7749792     0.9837167 2.139552       1.042726  -6.538124      4.810213  
1 1 1 9  5  0  o 60.14854 1.228968  36.25382       1.475134  35.57365       2.052142  36.98103       2.121916  0.000000       0.000000  
1 1 1 9  5  1  o 133.7094 1.435764  173.4351       3.481169  191.6393       6.627011  166.4975       4.091080  9.379410       2.871529  
1 1 1 9  5  2  o 278.1915 2.898271  774.4749       15.19176  776.3044       26.36427  773.5654       18.58795  0.3680115      5.796541  
1 1 1 9  5  3  o 288.1553 2.448166  830.9471       14.10817  825.4407       19.81997  836.6027       20.08664  -1.933685      4.896331  
1 1 1 9  5  4  o 140.9631 1.219446  198.6706       3.436859  196.1224       4.789492  201.3757       4.934663  -1.862610      2.438892  
1 1 1 9  5  5  o 80.18301 0.7980574 64.35483       1.269149  64.75216       1.692009  63.84370       1.919049  0.5671082      1.596115  
1 1 1 9  5  6  o 87.87199 0.9950930 77.86316       1.658390  79.29559       2.053154  75.17439       2.812953  2.347206       1.990186  
1 1 1 9  5  7  o 284.7867 2.796200  811.4150       15.92162  799.9969       22.19127  823.5280       22.85660  -4.124268      5.592400  
1 1 1 9  5  8  o 86.61395 1.113565  67.83389       1.733726  91.90657       3.477098  59.86883       2.000088  18.48669       2.227129  
1 1 1 9  5  9  o 33.13769 0.8606660 10.92562       0.5620364 11.30984       0.8797891 10.66071       0.7305366 0.9784317      1.721332  
1 1 1 9  5  10 o 191.8514 1.710537  367.6710       6.341769  371.2005       10.43321  365.6029       7.986550  1.414337       3.421074  
1 1 1 9  5  11 o 175.1210 1.577155  303.7829       5.278797  317.7491       8.982880  296.4158       6.524164  6.034866       3.154309  
1 1 1 9  5  12 o 85.90945 0.9350584 73.97078       1.597366  72.55998       2.378256  75.13029       2.156083  -1.499947      1.870117  
1 1 1 9  5  13 o 99.07634 1.159219  98.21487       2.176766  98.38003       3.732452  98.12973       2.679662  0.9608459E-01  2.318437  
1 1 1 9  5  14 o 121.5956 1.425426  148.8667       3.417630  143.4007       5.242491  152.9066       4.506982  -3.940872      2.850852  
1 1 1 9  5  15 o 84.71480 0.9445918 72.25790       1.566144  69.70989       2.461565  73.99081       2.030020  -2.542007      1.889184  
1 1 1 9  5  16 o 103.5945 1.060206  107.9013       2.156115  105.6131       3.371130  109.4852       2.804801  -1.907852      2.120413  
1 1 1 9  5  17 o 103.7169 1.379897  108.2671       2.844142  107.2873       4.259144  109.0556       3.820898  -0.9147415     2.759793  
1 1 1 9  5  18 o 41.09393 0.9733184 16.88980       0.7768704 17.20018       1.264258  16.70150       0.9847180 0.5692711      1.946637  
1 1 1 9  5  19 o 75.87251 0.9606106 57.95309       1.432177  57.52279       2.240272  58.25049       1.862466  -0.5564499     1.921221  
1 1 1 9  5  20 o 28.76413 1.307510  8.327850       0.7273591 8.628833       1.200576  8.153314       0.9142440 0.7193222      2.615020  
1 1 1 9  5  21 o 37.44186 1.213347  14.08193       0.8607798 14.73119       1.490245  13.75687       1.054473  1.103783       2.426693  
1 1 1 9  5  22 o 25.86967 1.309949  6.975253       0.6636603 7.303153       0.8687712 6.515778       1.028410  1.657595       2.619897  
1 1 1 9  5  23 o 14.72982 2.177960  2.536794       0.6307331 3.123350       0.8643634 1.868754       0.9224499 4.505935       4.355920  
1 1 1 9  5  24 o 9.470712 2.495744  1.045392       0.6182463 1.128350       0.7421363 0.8572511      1.117626  0.4137840      4.991488  
1 1 1 9  6  0  o 38.05336 1.166781  14.39091       0.8785644 13.07885       1.163905  16.12863       1.339466  0.000000       0.000000  
1 1 1 9  6  1  o 186.5277 1.958099  347.7120       6.876452  349.4148       11.96056  346.8713       8.404319  0.6425171      3.916198  
1 1 1 9  6  2  f 171.3479 1.592426  292.4692       5.372006  286.8799       6.974490  300.6218       8.423261  -3.997955      3.184851  
1 1 1 9  6  3  o 152.2985 1.317370  231.9698       4.012356  234.3795       5.718223  229.6326       5.631431  1.557892       2.634740  
1 1 1 9  6  4  o 56.07275 0.6185719 31.44735       0.6935165 32.32200       0.9816770 30.57587       0.9798861 1.557022       1.237144  
1 1 1 9  6  5  o 84.04131 0.8446075 69.55402       1.407969  82.91544       2.138859  59.33648       1.870376  14.02746       1.689215  
1 1 1 9  6  6  o 224.7811 1.921728  505.4131       8.639236  507.6784       12.25848  503.1778       12.17738  1.000641       3.843457  
1 1 1 9  6  7  o 246.1469 2.270358  607.2491       11.08700  614.5092       14.81940  598.0198       16.70889  3.366623       4.540716  
1 1 1 9  6  8  o 156.6178 1.759666  242.0995       5.306926  257.3984       8.909862  233.6877       6.606707  7.549347       3.519332  
1 1 1 9  6  9  o 101.0632 0.9690187 102.4056       1.912020  101.0153       3.044878  103.3107       2.456800  -1.140244      1.938037  
1 1 1 9  6  10 o 147.4103 1.401319  217.3911       4.092999  217.7417       6.229602  217.1248       5.429321  0.1967010      2.802638  
1 1 1 9  6  11 o 107.5936 1.032468  115.1860       2.142008  118.1657       3.556353  113.4896       2.683324  2.159744       2.064936  
1 1 1 9  6  12 o 144.7491 1.389388  209.1928       3.971101  213.1986       6.151261  206.3303       5.199840  2.346313       2.778776  
1 1 1 9  6  13 o 103.0736 1.016211  106.8203       2.044930  103.9634       3.245149  108.7018       2.633613  -2.314034      2.032422  
1 1 1 9  6  14 o 50.56644 1.186430  0.000000       0.000000  ?              ?         25.58566       1.199871  ?              ?         
1 1 1 9  6  15 o 25.20123 1.388708  5.882662       0.6693591 8.156842       1.176696  4.794731       0.8138659 6.650667       2.777415  
1 1 1 9  6  16 o 55.85476 0.9019188 31.36595       0.9964265 30.38202       1.513401  32.11886       1.323862  -1.565922      1.803838  
1 1 1 9  6  17 o 50.50087 1.118231  25.50950       1.102797  26.00286       1.769057  25.19593       1.410373  0.7572098      2.236463  
1 1 1 9  6  18 f 39.99577 1.046271  16.28561       0.8246992 14.40345       1.229578  17.82470       1.111884  -4.294903      2.092541  
1 1 1 9  6  19 o 23.15884 1.517173  5.568035       0.6767356 4.885795       1.075664  6.014973       0.8706262 -2.502153      3.034347  
1 1 1 9  6  20 o 52.99258 0.9599462 28.20995       0.9964653 28.70266       1.583320  27.88681       1.282253  0.6868515      1.919892  
1 1 1 9  6  21 o 43.46152 1.183178  19.17913       1.028398  18.93570       1.445972  19.42831       1.462923  -0.5588799     2.366355  
1 1 1 9  6  22 o 12.26822 2.699891  1.789487       0.7329693 1.353103       1.275435  2.004675       0.8956375 -1.892511      5.399783  
1 1 1 9  6  23 o 10.18682 2.461441  1.154731       0.5715738 1.122524       0.6841664 1.229151       1.039990  -0.5577908     4.922882  
1 1 1 9  6  24 o 15.94536 2.261022  3.163238       0.6570677 3.366224       0.8004730 2.743961       1.150440  3.152794       4.522043  
1 1 1 9  7  0  o 198.0704 2.933711  395.1341       11.03234  386.4805       18.68946  399.7621       13.66766  0.000000       0.000000  
1 1 1 9  7  1  o 157.4026 1.463358  248.2325       4.570268  251.1098       6.110794  244.5802       6.884898  2.080078       2.926716  
1 1 1 9  7  2  o 46.37437 0.6182442 21.56270       0.5686456 21.96378       0.7607578 21.05489       0.8560168 0.9802284      1.236488  
1 1 1 9  7  3  o 314.8342 2.762492  992.6254       16.86287  994.1892       21.37920  990.0507       27.43212  0.7280273      5.524983  
1 1 1 9  7  4  o 126.5882 1.113928  160.0987       2.818295  164.7142       4.078387  155.8802       3.899003  3.488548       2.227855  
1 1 1 9  7  5  o 294.0222 2.500444  864.3896       14.69560  848.8301       20.38071  881.2405       21.20950  -5.505188      5.000889  
1 1 1 9  7  6  o 351.2452 3.221839  1235.864       22.42980  1227.507       34.02098  1242.289       29.83138  -2.147125      6.443678  
1 1 1 9  7  7  o 202.9709 1.884283  411.6293       7.562209  415.5475       11.62853  408.7579       9.954670  1.659348       3.768566  
1 1 1 9  7  8  o 125.3109 1.811795  157.0680       4.540753  157.0680       4.540753  ?              ?         ?              ?         
1 1 1 9  7  9  o 151.8981 1.443228  230.4487       4.337292  233.5243       6.659799  228.1833       5.715607  1.746521       2.886456  
1 1 1 9  7  10 o 167.1496 1.769187  284.2095       5.747848  258.7448       9.049948  301.4267       7.441453  -12.80067      3.538374  
1 1 1 9  7  11 o 93.69728 0.9722204 87.86768       1.802669  87.54940       2.754284  88.10619       2.384278  -0.3025894     1.944441  
1 1 1 9  7  12 o 202.0374 2.154893  404.3354       8.086782  422.6629       14.56775  396.1722       9.722339  6.342056       4.309786  
1 1 1 9  7  13 o 46.77048 0.8599066 21.57324       0.7779729 23.09325       1.293630  20.71203       0.9737349 2.538696       1.719813  
1 1 1 9  7  14 o 88.71288 1.107669  78.79498       1.872138  78.76325       3.173406  78.81193       2.318601  -0.5751801E-01 2.215338  
1 1 1 9  7  15 o 87.03868 1.004440  75.94138       1.745992  73.56651       2.512218  78.16030       2.428329  -2.642403      2.008880  
1 1 1 9  7  16 o 94.29456 1.003355  88.98727       1.850242  89.54121       2.947129  88.62690       2.377087  0.4468994      2.006711  
1 1 1 9  7  17 o 11.81539 2.630919  1.432280       0.6863917 1.103061       1.174578  1.603009       0.8458464 -1.072642      5.261837  
1 1 1 9  7  18 o 26.21575 1.430935  7.022738       0.7400309 6.233336       1.100186  7.675025       1.000084  -2.772268      2.861869  
1 1 1 9  7  19 o 43.90585 1.009042  19.35088       0.8761913 19.68208       1.348227  19.10873       1.152833  0.6114578      2.018085  
1 1 1 9  7  20 o 37.69502 1.096320  14.26108       0.8086923 14.76093       1.293707  13.94051       1.036058  1.007641       2.192640  
1 1 1 9  7  21 o 19.22327 2.126162  4.666797       0.6702973 5.879799       0.8261275 2.329628       1.146730  9.648423       4.252324  
1 1 1 9  7  22 o 10.53971 2.378982  0.3421304      0.6890448 -0.8649260     0.8422874 2.784287       1.198073  -9.562562      4.757963  
1 1 1 9  7  23 o 23.48897 1.543100  5.885730       0.7177519 6.817326       1.018684  4.967296       1.011463  3.927895       3.086200  
1 1 1 9  7  24 o 24.38322 1.495080  6.398550       0.6863092 6.330332       0.8406596 6.534883       1.188423  0.2456951      2.990159  
1 1 1 9  8  0  o 23.06569 1.543759  5.391875       0.7056618 5.391875       0.7056618 5.391875       0.7056618 0.000000       0.000000  
1 1 1 9  8  1  o 102.5239 1.068086  104.8355       2.184898  109.1839       3.225509  101.1484       2.970095  3.917511       2.136172  
1 1 1 9  8  2  o 231.6646 2.039442  538.4398       9.190141  543.4056       11.73440  530.5618       14.78000  2.799423       4.078885  
1 1 1 9  8  3  o 350.3889 3.213983  1228.880       22.28658  1227.188       29.45252  1231.147       34.08946  -0.5051575     6.427967  
1 1 1 9  8  4  o 357.3006 3.283286  1273.223       23.10032  1251.490       30.01782  1304.784       36.17439  -7.387390      6.566572  
1 1 1 9  8  5  o 129.9351 1.321997  168.8542       3.435458  168.2319       4.849784  169.4811       4.867206  -0.4806061     2.643993  
1 1 1 9  8  6  o 474.3470 4.649043  2253.495       44.08646  2296.446       63.47688  2213.469       61.27667  8.711395       9.298085  
1 1 1 9  8  7  o 153.3411 1.342313  235.1692       4.116472  237.8062       5.850308  232.5833       5.793253  1.702698       2.684626  
1 1 1 9  8  8  o 118.1014 1.154508  138.1604       2.678359  146.4820       4.257824  132.7114       3.445413  5.824257       2.309017  
1 1 1 9  8  9  o 110.9719 1.278317  117.9432       2.515091  112.3129       2.909511  134.5894       5.002770  -10.01347      2.556635  
1 1 1 9  8  10 f 134.2039 1.429706  179.1080       3.454732  182.8281       6.534159  177.6645       4.070150  1.880844       2.859413  
1 1 1 9  8  11 o 163.0527 1.474094  266.8708       4.685130  262.7338       7.490121  269.5299       6.004898  -2.118515      2.948187  
1 1 1 9  8  12 o 110.0515 1.228469  119.7386       2.425374  124.5944       4.636028  117.9087       2.845895  2.989853       2.456939  
1 1 1 9  8  13 o 153.8086 1.410893  237.0291       4.216664  236.4259       6.821065  237.4022       5.364478  -0.3699341     2.821786  
1 1 1 9  8  14 o 112.4722 1.155046  126.8990       2.587881  123.7052       3.807001  129.6426       3.528482  -2.650017      2.310091  
1 1 1 9  8  15 o 63.85707 1.092773  0.000000       0.000000  ?              ?         40.80733       1.395626  ?              ?         
1 1 1 9  8  16 o 131.1054 1.317964  172.7603       3.450138  165.1988       4.947450  179.9186       4.813760  -5.626129      2.635929  
1 1 1 9  8  17 o 62.16428 1.036917  39.27443       1.183938  37.47304       2.126892  40.08321       1.425151  -2.174248      2.073833  
1 1 1 9  8  18 o 11.20093 2.465682  1.180504       0.6454929 1.934640       0.9628535 0.5649028      0.8699322 4.513668       4.931365  
1 1 1 9  8  19 o 24.70722 1.216034  6.147417       0.5976546 6.051004       0.8017491 6.267993       0.8966059 -0.4145107     2.432068  
1 1 1 9  8  20 o 32.25671 1.066224  10.45596       0.6828371 10.15345       0.9066765 10.85241       1.037932  -1.043753      2.132449  
1 1 1 9  8  21 o 52.93412 0.9083841 28.36093       0.9587386 29.73364       1.327240  26.86308       1.386418  2.732811       1.816768  
1 1 1 9  8  22 o 9.981552 2.837406  0.8008787      0.8668127 0.8387887      1.201267  0.7596974      1.252025  0.6875324E-01  5.674812  
1 1 1 9  8  23 o 18.65960 1.840186  3.814478       0.6808551 4.162257       0.9391794 3.429246       0.9884586 2.047266       3.680372  
1 1 1 9  8  24 o 14.26899 2.659528  2.656297       0.7703974 2.750791       1.069313  2.554312       1.110889  0.7344131      5.319055  
1 1 1 9  9  0  o 36.29382 0.8907230 13.23082       0.6443295 13.59943       0.9022842 12.84725       0.9204255 0.000000       0.000000  
1 1 1 9  9  1  o 157.1787 1.927791  247.1082       6.060153  247.1082       6.060153  ?              ?         ?              ?         
1 1 1 9  9  2  o 121.8448 1.251587  148.1582       3.044529  153.7733       4.469391  143.2968       4.158616  4.297493       2.503173  
1 1 1 9  9  3  f 473.7786 4.152226  2248.246       38.08931  2246.658       48.16379  2250.897       62.23365  -0.2294006     8.304452  
1 1 1 9  9  4  o 326.6117 2.859831  1071.471       18.19336  1085.242       23.30569  1049.986       29.11028  5.450012       5.719661  
1 1 1 9  9  5  o 72.00195 0.9053034 51.24899       1.148960  50.59783       1.334899  53.11022       2.256861  -1.742241      1.810607  
1 1 1 9  9  6  o 389.5074 4.038275  1527.924       29.91539  1546.620       37.09237  1493.131       50.59947  7.066467       8.076550  
1 1 1 9  9  7  o 314.2400 3.159569  992.5497       18.06130  997.9777       21.49968  979.5325       33.29437  3.100311       6.319138  
1 1 1 9  9  8  o 62.89488 1.017418  40.19061       1.258617  46.85897       1.740916  32.88870       1.821740  11.10660       2.034836  
1 1 1 9  9  9  o 233.9665 2.169467  546.4410       10.01225  557.9218       15.57277  538.3514       13.07215  4.131149       4.338933  
1 1 1 9  9  10 o 164.0486 1.486658  268.9322       4.725246  270.9877       7.720307  267.7010       5.975153  0.9677124      2.973315  
1 1 1 9  9  11 o 104.7702 1.092102  108.6778       2.254321  116.3016       3.553795  103.5444       2.916129  6.076454       2.184203  
1 1 1 9  9  12 o 32.07936 1.218871  10.26199       0.7413898 10.42398       1.274486  10.17913       0.9114796 0.3712063      2.437743  
1 1 1 9  9  13 o 137.8337 1.333442  190.7613       3.653900  185.0168       5.427835  195.5219       4.941173  -3.827850      2.666885  
1 1 1 9  9  14 o 35.90196 1.159372  12.82889       0.8299184 13.97429       1.232944  11.87999       1.122218  2.912403       2.318744  
1 1 1 9  9  15 o 122.6033 1.352543  152.5962       3.079351  145.4621       5.422802  155.9914       3.741024  -4.399155      2.705086  
1 1 1 9  9  16 o 67.30181 0.9620027 45.40842       1.293824  43.22666       1.827771  47.59962       1.831722  -3.248474      1.924005  
1 1 1 9  9  17 o 89.97092 0.9749823 81.64731       1.744040  75.00121       2.537064  87.60174       2.401413  -7.016640      1.949965  
1 1 1 9  9  18 o 31.41782 1.196030  9.917323       0.7504287 10.66771       1.091767  9.245303       1.033187  2.250881       2.392059  
1 1 1 9  9  19 o 11.47392 2.319104  1.356757       0.5604495 1.064917       0.7442670 1.738976       0.8517531 -2.524095      4.638208  
1 1 1 9  9  20 o 37.20179 0.9502736 14.01462       0.7031796 15.19677       0.9756240 12.73663       1.014401  3.316906       1.900547  
1 1 1 9  9  21 o 45.94693 1.029274  21.28931       0.9438074 22.32132       1.391302  20.40957       1.284569  2.038109       2.058549  
1 1 1 9  9  22 o 29.79448 1.453174  9.116930       0.8570372 10.00514       1.330742  8.487420       1.120309  2.343634       2.906348  
1 1 1 9  9  23 o 17.33554 2.043648  3.311908       0.6878647 2.815544       0.9104875 3.971938       1.049920  -3.312899      4.087295  
1 1 1 9  10 0  o 105.4008 1.663967  111.8750       3.310405  113.1316       4.075796  109.4390       5.674684  0.000000       0.000000  
1 1 1 9  10 1  o 333.5797 3.062282  1113.037       20.19620  1107.962       26.59406  1119.952       31.04270  -1.742096      6.124564  
1 1 1 9  10 2  o 366.8749 3.366537  1348.349       24.47695  1353.047       32.52656  1342.214       37.16697  1.536041       6.733073  
1 1 1 9  10 3  o 66.25486 1.189517  43.90009       1.576226  43.90009       1.576226  ?              ?         ?              ?         
1 1 1 9  10 4  o 268.4807 2.788424  728.9642       14.35697  749.5397       18.05504  693.5814       23.67666  10.46741       5.576848  
1 1 1 9  10 5  o 224.5788 2.272408  506.5732       9.281178  509.3869       11.04573  499.8159       17.11765  2.173630       4.544816  
1 1 1 9  10 6  o 404.4215 4.103504  1606.952       29.16870  1573.395       33.77485  1705.429       57.85837  -15.93369      8.207008  
1 1 1 9  10 7  o 240.7190 2.378504  579.1495       11.43965  596.1469       16.63221  563.8896       15.75928  6.690140       4.757008  
1 1 1 9  10 8  o 91.49656 0.9559990 83.74878       1.733609  83.85208       2.302901  83.61366       2.633635  0.1327057      1.911998  
1 1 1 9  10 9  o 72.98215 0.9456400 52.49724       1.210103  51.67955       1.400948  54.90012       2.401575  -2.197075      1.891280  
1 1 1 9  10 10 o 206.5321 1.845905  422.9232       7.280394  413.3509       8.992343  441.1360       12.40372  -6.639542      3.691811  
1 1 1 9  10 11 o 202.1388 1.750665  408.7236       7.071152  420.7783       10.26847  397.8517       9.751766  5.654816       3.501330  
1 1 1 9  10 12 o 102.9713 1.056607  106.4486       2.162840  109.4875       2.927166  102.7945       3.209767  3.257408       2.113214  
1 1 1 9  10 13 o 48.65624 0.9295766 23.82304       0.8989775 22.14466       1.316947  25.28755       1.230177  -3.231892      1.859153  
1 1 1 9  10 14 o 95.45071 0.9553840 91.14119       1.823360  93.41973       2.614664  88.98410       2.544029  2.321228       1.910768  
1 1 1 9  10 15 o 52.80572 1.073576  28.22589       1.025416  27.23870       1.897364  28.63320       1.218730  -1.357338      2.147153  
1 1 1 9  10 16 o 24.07428 1.374045  5.844815       0.6532606 7.048496       0.9382396 4.712247       0.9101028 4.848896       2.748090  
1 1 1 9  10 17 o 23.33462 1.368050  5.390202       0.6302021 4.971472       0.8162947 6.008001       0.9915248 -2.194134      2.736100  
1 1 1 9  10 18 o 43.96835 0.8617954 19.39069       0.7545170 19.24038       1.018610  19.57343       1.123126  -0.3622551     1.723591  
1 1 1 9  10 19 o 11.96979 2.150109  1.603963       0.5429497 2.152253       0.7111507 0.8377172      0.8406996 4.680506       4.300218  
1 1 1 9  10 20 o 28.43806 1.430298  8.768639       0.7368539 9.767667       0.9050158 6.804041       1.269125  5.356058       2.860596  
1 1 1 9  10 21 o 65.13705 0.9892013 42.77944       1.281621  43.80506       1.925138  41.96308       1.717546  1.335220       1.978403  
1 1 1 9  10 22 o 18.13989 2.341644  3.410558       0.8075125 5.277521       1.345877  2.360446       1.009381  7.743212       4.683287  
1 1 1 9  10 23 o 27.15418 1.527925  7.976130       0.8077921 9.815372       1.132301  6.069843       1.152754  6.926392       3.055849  
1 1 1 9  11 0  o 116.7536 1.489113  136.4504       3.474398  137.4576       4.950358  135.4727       4.877533  0.000000       0.000000  
1 1 1 9  11 1  o 77.59038 0.8356131 60.22982       1.283210  60.36583       1.697707  60.04857       1.959861  0.2052612      1.671226  
1 1 1 9  11 2  o 92.90381 1.000106  86.15664       1.855679  89.28252       2.712584  83.40687       2.544158  3.161644       2.000212  
1 1 1 9  11 3  o 267.9168 2.359297  718.5288       12.25041  719.7026       15.52144  716.5899       19.94979  0.6130981      4.718593  
1 1 1 9  11 4  o 207.7897 2.177995  436.1649       8.671921  447.2789       10.88586  416.8622       14.34615  7.341156       4.355991  
1 1 1 9  11 5  o 247.8490 2.727271  617.1453       13.33688  630.1630       17.58468  599.5165       20.46332  6.209946       5.454543  
1 1 1 9  11 6  o 373.7650 3.432482  1400.711       25.44545  1412.496       33.94703  1385.600       38.44115  3.664612       6.864964  
1 1 1 9  11 7  o 147.1324 1.834434  216.5977       5.397898  215.9385       7.659463  217.2482       7.608356  -0.4455872     3.668867  
1 1 1 9  11 8  o 106.0377 1.017935  112.9969       2.105391  114.9386       2.706699  110.0225       3.350098  2.323471       2.035870  
1 1 1 9  11 9  o 61.57178 0.8538457 37.20302       1.038279  33.65314       1.344883  42.44033       1.633549  -7.133011      1.707691  
1 1 1 9  11 10 o 91.14566 1.071498  84.00077       1.756698  85.17439       2.079829  81.07931       3.281450  2.264572       2.142996  
1 1 1 9  11 11 o 58.30055 0.8002547 33.83615       0.9292215 32.31021       1.247904  35.73519       1.392130  -2.935177      1.600509  
1 1 1 9  11 12 o 40.68843 0.8827929 16.51626       0.7165385 18.28629       1.041956  14.92817       0.9869565 4.125408       1.765586  
1 1 1 9  11 13 o 132.5269 1.384707  175.8764       3.669776  174.0811       5.141605  177.7408       5.239472  -1.376862      2.769413  
1 1 1 9  11 14 f 14.46409 2.363902  2.151567       0.6673356 1.869789       0.8823180 2.528232       1.020118  -2.181253      4.727805  
1 1 1 9  11 15 o 31.02866 1.601912  9.661321       0.9703863 9.701793       1.552201  9.635355       1.243304  0.7836151E-01  3.203825  
1 1 1 9  11 16 o 31.78023 1.115558  10.05640       0.7059009 11.46782       1.046943  8.879895       0.9558529 4.062241       2.231117  
1 1 1 9  11 17 o 70.53780 0.8970243 50.14711       1.254570  52.10349       1.687431  47.72915       1.875965  3.121071       1.794049  
1 1 1 9  11 18 o 41.06787 0.9483223 16.94431       0.7788868 16.75702       1.097767  17.13419       1.105296  -0.4578819     1.896645  
1 1 1 9  11 19 f 32.49812 1.036117  10.72026       0.6654713 11.28402       0.8903887 10.00682       1.001641  1.991795       2.072233  
1 1 1 9  11 20 o 51.72277 0.8730391 26.97488       0.8968185 27.23047       1.202755  26.65485       1.345862  0.5974312      1.746078  
1 1 1 9  11 21 o 10.61856 2.626115  0.6921479      0.6989881 0.3417037E-01  0.8403407 2.169607       1.259238  -6.481143      5.252229  
1 1 1 9  11 22 o 25.28436 1.647277  6.767686       0.7921420 9.623101       1.168756  4.341506       1.077336  10.34090       3.294554  
1 1 1 9  11 23 o 13.46600 2.714463  2.240670       0.7585821 2.035867       0.9907184 2.530895       1.179367  -1.254899      5.428926  
1 1 1 9  12 0  o 154.3817 1.914371  238.4227       5.903069  233.9468       8.175873  243.2970       8.531905  0.000000       0.000000  
1 1 1 9  12 1  o 132.4108 1.174824  175.2668       3.110161  178.4192       4.468731  172.3052       4.331349  2.308197       2.349647  
1 1 1 9  12 2  o 538.0049 4.927179  2906.104       52.63290  2947.838       70.60305  2853.900       78.96526  8.858276       9.854359  
1 1 1 9  12 3  o 128.3781 1.325549  164.7596       3.402112  162.3367       4.733279  167.3491       4.893338  -1.951607      2.651098  
1 1 1 9  12 4  o 203.1052 2.065387  414.9442       7.642732  418.2249       9.112767  407.1640       14.03319  2.754654       4.130775  
1 1 1 9  12 5  o 92.38687 0.9669358 85.12790       1.756707  84.10349       2.278229  86.63023       2.758940  -1.365654      1.933872  
1 1 1 9  12 6  f 257.8628 2.279388  665.5864       11.38375  666.2138       14.40642  664.5434       18.57458  0.3669434      4.558775  
1 1 1 9  12 7  o 266.2416 2.453129  711.7505       13.00258  735.2000       17.73937  684.5251       19.11436  9.538757       4.906259  
1 1 1 9  12 8  o 72.66724 0.8267915 53.02929       1.169766  53.77712       1.497896  51.86029       1.872802  1.321655       1.653583  
1 1 1 9  12 9  o 74.71507 1.015093  56.90151       1.447716  59.67684       1.821119  52.13600       2.386363  5.053162       2.030185  
1 1 1 9  12 10 o 110.2757 1.113930  121.5190       2.428367  120.6783       3.194778  122.6694       3.737097  -0.8936768     2.227859  
1 1 1 9  12 11 o 212.9387 1.982059  455.4203       8.382613  463.3603       11.26766  445.5789       12.54448  4.225250       3.964118  
1 1 1 9  12 12 o 99.43976 1.041289  99.02303       2.050391  99.42120       2.718143  98.49734       3.123265  0.4750900      2.082578  
1 1 1 9  12 13 o 26.24310 1.633172  7.001296       0.8090062 6.597382       1.376134  7.214616       1.000075  -1.194153      3.266343  
1 1 1 9  12 14 o 79.37870 0.9803128 63.25579       1.530224  64.10955       1.997291  62.04240       2.381071  1.315643       1.960626  
1 1 1 9  12 15 o 73.60965 1.088483  53.70936       1.495520  55.93639       2.667472  52.68843       1.806069  2.147148       2.176965  
1 1 1 9  12 16 o 35.66999 1.084140  12.75762       0.7732201 13.09744       1.108514  12.43560       1.079077  0.9246407      2.168280  
1 1 1 9  12 17 o 61.71052 1.012814  37.11433       1.149042  35.51653       1.363257  41.03423       2.135270  -4.371243      2.025628  
1 1 1 9  12 18 f 44.90229 0.9144051 20.24004       0.8207631 20.78456       1.183997  19.73631       1.138791  1.159023       1.828810  
1 1 1 9  12 19 o 23.09175 1.467853  5.482782       0.6473903 5.665269       0.8120095 5.164429       1.072507  1.177378       2.935706  
1 1 1 9  12 20 o 13.64585 2.059885  2.187565       0.6129035 3.556691       0.8190840 0.4455938      0.9239045 9.957585       4.119770  
1 1 1 9  12 21 o 52.50331 1.032754  28.24724       1.054499  29.17487       1.355950  26.82767       1.677385  2.403282       2.065508  
1 1 1 9  12 22 o 20.54235 1.990685  4.720749       0.7627013 6.094420       1.074000  3.323170       1.083306  6.998932       3.981370  
1 1 1 9  12 23 o 27.96244 1.587620  8.256705       0.8473611 7.988298       1.046756  8.766987       1.443290  -0.7734623     3.175239  
1 1 1 9  13 0  o 127.1758 1.615896  161.8796       4.106532  160.0600       5.749852  163.7740       5.866945  0.000000       0.000000  
1 1 1 9  13 1  o 51.35260 0.7046903 26.36746       0.7236897 26.73961       1.031689  26.00695       1.015409  0.7133293      1.409381  
1 1 1 9  13 2  o 314.6054 2.677761  990.3113       16.84819  995.5853       23.94622  985.1409       23.70944  1.658081       5.355522  
1 1 1 9  13 3  o 281.1522 2.589838  792.2570       14.45129  802.0642       19.34456  779.8720       21.73871  3.965790       5.179676  
1 1 1 9  13 4  o 187.3290 2.480991  367.6226       8.043074  385.9558       9.411333  317.9624       15.48947  18.19966       4.961982  
1 1 1 9  13 5  o 202.8522 2.161024  406.1024       8.106413  397.3021       9.705690  426.4036       14.74130  -7.127121      4.322048  
1 1 1 9  13 6  o 47.33122 1.053588  22.63152       0.9716709 23.48080       1.254170  21.35632       1.536809  2.245750       2.107176  
1 1 1 9  13 7  o 252.8761 2.564762  641.4056       11.74531  642.8185       13.92657  637.9246       21.85881  1.118927       5.129524  
1 1 1 9  13 8  o 106.1467 1.195142  112.5081       2.275103  112.2479       2.677296  113.1840       4.315911  -0.4223938     2.390284  
1 1 1 9  13 9  o 88.42954 0.9183649 78.54903       1.578822  79.64718       2.016679  76.81026       2.537605  1.610291       1.836730  
1 1 1 9  13 10 o 65.12251 0.8073090 42.31904       1.011665  42.04738       1.266279  42.79841       1.682104  -0.5712433     1.614618  
1 1 1 9  13 11 o 38.08818 1.148056  14.51299       0.8745469 14.51299       0.8745469 ?              ?         ?              ?         
1 1 1 9  13 12 o 107.8633 1.187977  116.4493       2.562532  117.3795       3.654778  115.5499       3.593925  0.8463135      2.375955  
1 1 1 9  13 13 f 70.79895 0.9696258 50.31524       1.334643  50.80872       1.703025  49.52972       2.148653  0.9168777      1.939252  
1 1 1 9  13 14 o 101.9660 1.102172  104.5699       2.225341  107.6785       2.971356  100.5990       3.358257  3.487900       2.204345  
1 1 1 9  13 15 o 70.76154 1.455256  51.66165       1.837281  47.13720       3.423122  53.49244       2.177503  -4.604332      2.910512  
1 1 1 9  13 16 o 46.41925 1.085516  21.26613       0.9972540 24.07900       1.553453  19.29429       1.300645  5.125977       2.171033  
1 1 1 9  13 17 o 21.60845 1.656019  5.129285       0.6353855 5.812963       0.7752116 3.729909       1.109077  4.887524       3.312037  
1 1 1 9  13 18 o 23.85381 1.354233  5.720135       0.6440984 5.189364       0.8754958 6.346353       0.9509622 -2.403246      2.708467  
1 1 1 9  13 19 o 27.97206 1.296652  7.979097       0.6917571 8.113442       0.8620799 7.736184       1.159210  0.7761459      2.593305  
1 1 1 9  13 20 o 32.35314 1.251144  10.56455       0.7637365 10.41365       0.9335031 10.87005       1.328194  -0.5232773     2.502288  
1 1 1 9  13 21 o 25.70418 1.587624  7.157722       0.7594931 7.793487       0.9463324 6.007074       1.273110  3.764032       3.175247  
1 1 1 9  13 22 o 10.18914 2.507820  0.9986458      0.6882720 0.1903521      0.9665189 1.830248       0.9803557 -4.490129      5.015641  
1 1 1 9  13 23 f 14.72297 2.526858  2.756430       0.7725953 3.377702       0.9954888 1.815439       1.225148  5.386858       5.053715  
1 1 1 9  14 0  o 86.15370 1.518658  72.53519       2.397119  78.95383       4.455705  69.92072       2.843719  0.000000       0.000000  
1 1 1 9  14 1  o 193.5894 1.672665  374.8185       6.475695  371.9266       9.089278  377.7995       9.228335  -1.516174      3.345330  
1 1 1 9  14 2  o 61.92215 0.9912902 36.73201       1.170205  43.63174       2.051263  33.40314       1.424800  8.257290       1.982580  
1 1 1 9  14 3  o 378.4919 3.475514  1434.925       26.05657  1439.013       34.56599  1429.546       39.65512  1.312439       6.951028  
1 1 1 9  14 4  o 160.4829 1.723073  258.3639       5.229475  259.8918       6.433650  255.3888       8.977664  1.420547       3.446145  
1 1 1 9  14 5  o 339.4693 2.991177  1151.748       19.61041  1146.159       24.67957  1161.321       32.30009  -2.129974      5.982354  
1 1 1 9  14 6  o 157.3337 1.428798  249.4524       4.402934  257.2460       5.727119  238.1892       6.884907  6.066193       2.857596  
1 1 1 9  14 7  o 267.7487 2.370287  718.6692       12.31050  721.2336       15.62684  714.4744       19.98597  1.348358       4.740574  
1 1 1 9  14 8  o 149.3395 1.527165  223.1489       4.560477  221.5995       6.379333  224.7685       6.522010  -1.058655      3.054330  
1 1 1 9  14 9  o 172.2007 1.553247  298.2786       5.217738  303.6716       6.711311  290.0379       8.296090  3.993149       3.106494  
1 1 1 9  14 10 o 55.30165 0.8582240 30.29896       0.9272987 29.27571       1.181348  31.94144       1.496706  -2.405392      1.716448  
1 1 1 9  14 11 o 51.43191 0.9520748 26.58002       0.9372090 26.85767       1.170055  26.08299       1.565484  0.7621803      1.904150  
1 1 1 9  14 12 o 134.7450 1.410502  181.5584       3.797671  188.0783       5.517339  175.6883       5.235198  4.587112       2.821004  
1 1 1 9  14 13 o 83.38803 1.013022  68.99316       1.635226  67.25727       2.055219  71.98788       2.699454  -2.815079      2.026045  
1 1 1 9  14 14 o 55.97877 1.077802  31.43638       1.185758  31.68822       1.543450  31.07368       1.852317  0.5630608      2.155603  
1 1 1 9  14 15 o 122.1178 1.332198  149.6176       3.252387  149.2991       4.533366  149.9555       4.668762  -0.2567368     2.664396  
1 1 1 9  14 16 o 23.65222 1.479076  5.635489       0.6985550 5.259661       0.9861931 6.013940       0.9896278 -1.593988      2.958151  
1 1 1 9  14 17 o 33.78823 1.151370  11.50375       0.7759539 11.02194       1.124365  11.94191       1.072220  -1.369904      2.302740  
1 1 1 9  14 18 o 19.20375 1.603844  3.859613       0.5965697 4.483014       0.7981796 3.070605       0.8979617 3.710733       3.207688  
1 1 1 9  14 19 o 14.82845 2.108649  2.290034       0.5970419 1.940728       0.7743556 2.802081       0.9375456 -2.765164      4.217299  
1 1 1 9  14 20 o 43.66384 1.035418  19.10152       0.8985140 20.77087       1.367024  17.83181       1.192219  3.300541       2.070837  
1 1 1 9  14 21 o 37.94051 1.340883  14.80803       1.016138  14.28905       1.394114  15.39624       1.484184  -1.386101      2.681767  
1 1 1 9  14 22 o 21.26686 1.726748  4.821792       0.7262555 5.778826       1.052817  3.952934       1.003144  4.225037       3.453495  
1 1 1 9  14 23 o 30.16456 1.491768  9.751373       0.8962581 9.153550       1.297112  10.29756       1.239828  -1.988552      2.983536  
1 1 1 9  15 0  o 245.9629 2.984304  605.4501       14.66485  595.5506       20.38985  616.0585       21.10722  0.000000       0.000000  
1 1 1 9  15 1  o 460.8197 3.914493  2126.268       36.07294  2148.702       51.51483  2104.683       50.52912  4.763275       7.828986  
1 1 1 9  15 2  o 440.3685 4.043296  1941.846       35.22757  1946.721       53.94969  1938.223       46.51221  0.8569641      8.086592  
1 1 1 9  15 3  o 59.88875 0.8804585 35.84423       1.054095  36.67592       1.519436  35.07258       1.463565  1.338402       1.760917  
1 1 1 9  15 4  o 115.8430 1.148911  134.3103       2.638756  134.9259       3.512359  133.5126       3.998196  0.6124649      2.297821  
1 1 1 9  15 5  o 85.21794 1.055130  72.96497       1.712327  71.53779       2.891203  73.73605       2.125131  -1.293900      2.110260  
1 1 1 9  15 6  o 189.3553 1.964175  352.0577       6.550597  344.7957       7.593625  373.1802       12.95067  -7.418732      3.928350  
1 1 1 9  15 7  o 95.43756 0.9797768 91.76599       1.825173  94.29500       2.356215  87.97189       2.885987  3.317436       1.959554  
1 1 1 9  15 8  o 91.56822 0.9812191 83.88571       1.769792  83.93729       2.311064  83.81257       2.752015  0.7331085E-01  1.962438  
1 1 1 9  15 9  o 135.1203 1.258136  183.8793       3.322470  188.5470       4.296634  176.9371       5.239880  4.313644       2.516272  
1 1 1 9  15 10 o 94.18434 1.071158  88.66039       2.016556  91.99512       2.911554  85.58587       2.795657  3.400146       2.142316  
1 1 1 9  15 11 o 96.12849 0.9830793 93.22207       1.847871  96.29240       2.397166  88.72590       2.900856  3.948021       1.966159  
1 1 1 9  15 12 o 21.46102 1.812904  4.571540       0.6773391 4.524796       0.7823156 4.711497       1.353683  -0.4071102     3.625808  
1 1 1 9  15 13 o 25.05241 1.486940  6.373028       0.7326157 6.861131       0.9758477 5.742597       1.109035  2.239040       2.973880  
1 1 1 9  15 14 o 66.85143 0.9314535 44.79013       1.243860  43.60447       1.788932  45.89983       1.730681  -1.719414      1.862907  
1 1 1 9  15 15 o 52.10432 0.9241002 27.34503       0.9557493 28.62659       1.293985  25.80662       1.417744  2.714748       1.848200  
1 1 1 9  15 16 o 12.18176 2.775243  1.457670       0.7102956 1.479642       0.8249319 1.394684       1.396721  -0.5722055     5.550485  
1 1 1 9  15 17 f 16.60097 2.036122  3.049873       0.6221363 3.651302       0.8043873 2.154495       0.9814685 4.810465       4.072245  
1 1 1 9  15 18 o 33.86020 1.104107  11.43451       0.7248682 11.09917       0.9126760 12.00743       1.192950  -1.276234      2.208213  
1 1 1 9  15 19 o 42.03851 0.9437078 17.82569       0.7919372 19.02291       1.117509  16.61788       1.122444  2.861843       1.887416  
1 1 1 9  15 20 o 23.16628 1.634946  5.529143       0.7502300 6.537304       1.080371  4.590228       1.042608  4.178852       3.269892  
1 1 1 9  15 21 o 43.58263 1.249284  19.46607       1.062529  19.87919       1.705959  19.20424       1.358119  0.4931793      2.498568  
1 1 1 9  15 22 o 16.59598 2.236845  3.330615       0.7156582 4.905803       0.9968625 1.655342       1.028045  9.696656       4.473691  
1 1 1 9  15 23 o 9.443531 2.586250  0.9137145      0.7397823 1.484611       1.006001  0.2414567      1.091661  2.759183       5.172500  
1 1 1 9  16 0  o 210.5270 2.580096  443.7705       10.85626  442.5520       15.32469  444.9980       15.38161  0.000000       0.000000  
1 1 1 9  16 1  o 273.5970 2.525772  749.6102       13.69562  753.0842       18.20749  745.0833       20.78437  1.487427       5.051544  
1 1 1 9  16 2  o 113.5472 1.350522  129.6374       3.050325  138.5019       4.201031  119.7526       4.436192  8.257484       2.701044  
1 1 1 9  16 3  o 160.2121 1.625265  256.5524       5.204494  262.4767       7.522614  251.1132       7.207994  3.544128       3.250529  
1 1 1 9  16 4  o 149.8271 1.533880  224.5544       4.596317  224.6506       6.491273  224.4577       6.509110  0.6446838E-01  3.067760  
1 1 1 9  16 5  o 235.4289 2.023819  554.6761       9.529177  556.2151       13.51891  553.1566       13.43407  0.6484680      4.047638  
1 1 1 9  16 6  f 144.5156 1.334240  209.7643       3.754545  212.6535       4.808192  205.2501       6.010147  2.574768       2.668481  
1 1 1 9  16 7  o 43.31299 0.9482926 18.47944       0.8059823 17.38702       1.031060  20.19572       1.292360  -3.239777      1.896585  
1 1 1 9  16 8  o 53.95724 0.8395678 28.27579       0.8592089 26.60843       1.045324  31.74840       1.508566  -4.757809      1.679136  
1 1 1 9  16 9  o 162.8828 1.558335  265.4898       5.022462  264.8457       6.632530  266.3556       7.689848  -0.4371643     3.116669  
1 1 1 9  16 10 o 86.56183 1.076457  75.10519       1.751783  75.34802       2.141029  74.61340       3.046907  0.4441833      2.152914  
1 1 1 9  16 11 o 166.2670 1.765124  281.9399       5.739668  306.0765       7.578488  249.4712       8.789774  17.07532       3.530249  
1 1 1 9  16 12 o 150.1602 1.455434  224.8009       4.294421  220.2563       5.549921  231.5819       6.779374  -3.718094      2.910868  
1 1 1 9  16 13 o 88.01956 0.9058097 77.54743       1.565383  77.58864       2.029294  77.48689       2.459904  0.7147980E-01  1.811619  
1 1 1 9  16 14 o 49.59899 1.130830  24.67655       1.106126  24.80154       1.450416  24.50279       1.710048  0.3180618      2.261661  
1 1 1 9  16 15 o 59.94183 0.8997959 35.98238       1.074831  35.75835       1.457349  36.24959       1.591587  -0.3990135     1.799592  
1 1 1 9  16 16 o 62.02917 0.9155116 38.77781       1.122959  40.03720       1.494738  37.14595       1.701481  2.351650       1.831023  
1 1 1 9  16 17 o 44.32013 1.032911  19.72318       0.9055076 19.56190       1.193069  19.94231       1.390688  -0.3917580     2.065822  
1 1 1 9  16 18 o 41.29404 0.9595151 16.97049       0.7834812 16.03690       1.022271  18.29953       1.219713  -2.698166      1.919030  
1 1 1 9  16 19 o 8.694567 2.524141  0.3443504      0.6614493 0.3419264      0.7965536 0.3497343      1.187128  -1.344058      5.048283  
1 1 1 9  16 20 o 28.53766 1.246858  8.290673       0.7053656 8.314954       0.9385188 8.259155       1.069304  0.1627693      2.493717  
1 1 1 9  16 21 o 8.490026 2.285787  0.3659201      0.6497821 1.255102       0.8232738 -1.103100      1.058188  4.237516       4.571575  
1 1 1 9  16 22 o 24.57406 1.568811  6.270741       0.7535496 5.729413       0.9536956 7.170322       1.229420  -2.532129      3.137622  
1 1 1 9  16 23 o 24.08533 1.947404  6.653553       0.9266871 6.995779       1.246560  6.230794       1.385489  1.938992       3.894807  
1 1 1 9  17 0  o 486.9787 7.185678  2387.070       66.13023  2397.735       81.37878  2366.336       113.4717  0.000000       0.000000  
1 1 1 9  17 1  o 278.5743 2.383907  776.5468       13.28145  780.3467       18.87677  772.8216       18.69024  1.348694       4.767815  
1 1 1 9  17 2  o 202.5266 1.898856  410.0992       7.602830  408.6581       10.01210  412.0621       11.68469  -0.8261261     3.797712  
1 1 1 9  17 3  o 208.8268 1.949276  436.7945       8.071720  432.5675       12.21015  440.0756       10.75760  -1.811386      3.898553  
1 1 1 9  17 4  o 129.0977 1.266261  166.7724       3.237200  166.2446       4.932871  167.1718       4.290278  -0.3639984     2.532522  
1 1 1 9  17 5  o 118.3412 1.097283  140.0793       2.596974  139.5986       3.653796  140.5700       3.691851  -0.4101028     2.194567  
1 1 1 9  17 6  o 83.29576 0.8712692 69.39011       1.451195  69.11568       2.031149  69.67628       2.074125  -0.3361511     1.742538  
1 1 1 9  17 7  o 88.22491 0.9915764 78.04314       1.737001  79.45940       2.332644  76.28033       2.602420  1.804817       1.983153  
1 1 1 9  17 8  o 76.69917 0.9151268 58.49454       1.370016  57.27626       1.746980  60.44065       2.207984  -2.056793      1.830254  
1 1 1 9  17 9  o 115.1503 1.121972  133.0296       2.508721  134.1596       3.193769  131.2091       4.053805  1.298256       2.243943  
1 1 1 9  17 10 o 44.12162 0.9519935 20.19695       0.7908224 21.92251       0.9914818 17.17947       1.311122  5.381996       1.903987  
1 1 1 9  17 11 o 61.05810 0.9063646 37.25081       1.086124  37.03371       1.404621  37.57364       1.712858  -0.4349899     1.812729  
1 1 1 9  17 12 o 58.95084 1.074576  33.98442       1.135433  33.02449       1.327633  36.59858       2.190911  -3.002384      2.149152  
1 1 1 9  17 13 o 60.18061 0.9078447 36.43336       1.066900  37.13370       1.375270  35.37482       1.690781  1.472084       1.815689  
1 1 1 9  17 14 o 78.87725 0.9363732 62.04341       1.466536  60.16343       1.947294  64.50699       2.229154  -2.736282      1.872746  
1 1 1 9  17 15 o 15.17556 2.393718  2.689230       0.7588837 3.853940       0.9718458 0.8693737      1.214806  8.747419       4.787436  
1 1 1 9  17 16 o 46.15345 1.020499  21.32554       0.9395913 22.11257       1.388404  20.66054       1.276237  1.558651       2.040999  
1 1 1 9  17 17 o 34.69556 1.151298  12.16261       0.7957497 12.72410       1.094765  11.53365       1.158672  1.729221       2.302597  
1 1 1 9  17 18 o 21.49194 1.584923  4.969194       0.6411009 6.054893       0.8454167 3.499962       0.9834705 5.991871       3.169845  
1 1 1 9  17 19 o 28.30631 1.244003  8.058470       0.6974705 7.712303       0.9164883 8.534865       1.075144  -1.393536      2.488006  
1 1 1 9  17 20 o 36.77263 1.105565  13.62718       0.8028257 13.25539       1.048758  14.15342       1.247721  -1.137383      2.211131  
1 1 1 9  17 21 o 48.06782 1.015057  23.61461       0.9679135 24.08455       1.297186  23.02432       1.453843  1.208088       2.030113  
1 1 1 9  17 22 f 11.44711 2.644571  1.573726       0.6948409 1.547920       0.9485201 1.603613       1.020759  -0.1596460     5.289143  
1 1 1 9  17 23 o 23.50990 1.886820  6.230723       0.8833255 7.017636       1.280295  5.515848       1.220286  3.047781       3.773639  
1 1 1 9  18 0  o 255.4505 3.106379  653.4972       15.85894  649.5585       22.27332  657.5472       22.58580  0.000000       0.000000  
1 1 1 9  18 1  o 214.2133 2.002195  459.4213       8.496586  461.3200       11.27891  456.9301       12.91944  1.040314       4.004391  
1 1 1 9  18 2  o 289.3669 3.028205  839.7382       16.57162  834.4860       28.48387  842.4256       20.37480  -1.496735      6.056411  
1 1 1 9  18 3  o 297.0728 3.116227  881.9497       17.40360  890.0330       30.38722  878.0040       21.23049  1.852325       6.232455  
1 1 1 9  18 4  o 72.38596 1.077960  51.33020       1.520236  57.06196       2.497550  47.95663       1.916085  6.284676       2.155920  
1 1 1 9  18 5  o 170.1230 1.614792  289.6595       5.441589  289.2198       8.286012  289.9930       7.215674  -0.2424316     3.229583  
1 1 1 9  18 6  o 82.81029 0.8697886 68.58543       1.440463  69.64555       2.046443  67.54440       2.027927  1.268486       1.739577  
1 1 1 9  18 7  o 112.8350 1.107756  127.4356       2.417111  127.6098       3.052229  127.1427       3.958396  0.2202377      2.215512  
1 1 1 9  18 8  o 87.61195 0.9549150 77.00841       1.617592  77.65797       2.045858  75.92509       2.642058  0.9976730      1.909830  
1 1 1 9  18 9  o 51.07803 1.410481  26.47091       1.061863  26.64334       1.161980  25.59765       2.614934  1.060406       2.820962  
1 1 1 9  18 10 o 176.6431 1.602923  315.0668       5.547746  325.8220       7.228209  299.6488       8.654381  7.465820       3.205847  
1 1 1 9  18 11 o 146.1945 1.426648  213.9688       4.122081  213.4521       5.425363  214.6746       6.339901  -0.3827515     2.853297  
1 1 1 9  18 12 o 129.5946 1.291662  168.6734       3.326000  172.5931       4.485411  163.8857       4.957254  3.379715       2.583323  
1 1 1 9  18 13 o 136.2710 1.463819  188.2608       3.659161  191.5225       4.396359  180.9065       6.601392  4.029861       2.927638  
1 1 1 9  18 14 o 65.53017 1.034040  43.37683       1.308075  44.41941       1.657746  41.65667       2.129355  2.139633       2.068080  
1 1 1 9  18 15 o 63.26970 0.9028630 40.21971       1.138820  41.54435       1.565448  38.73066       1.659756  2.232292       1.805726  
1 1 1 9  18 16 o 27.89091 1.473644  7.842339       0.8197080 7.084980       1.145836  8.636209       1.173130  -2.775629      2.947288  
1 1 1 9  18 17 o 29.24614 1.263441  8.532139       0.7238612 8.153337       0.9252311 9.129838       1.162213  -1.606781      2.526881  
1 1 1 9  18 18 o 45.19960 1.069519  20.77466       0.9200230 21.19857       1.144552  20.00061       1.546616  1.431526       2.139038  
1 1 1 9  18 19 f 14.16335 2.357999  2.109516       0.6430162 1.790903       0.8110604 2.648651       1.055042  -2.710654      4.715998  
1 1 1 9  18 20 o 46.00417 1.150533  21.49254       1.051151  21.24522       1.402420  21.80962       1.587903  -0.5159302     2.301066  
1 1 1 9  18 21 o 18.75441 2.109986  3.973023       0.7466665 4.571182       1.001808  3.225494       1.119930  4.039028       4.219972  
1 1 1 9  18 22 o 9.107748 2.604865  0.1853229      0.7792153 -0.7083081     0.9779927 1.738723       1.289431  -5.416256      5.209729  
1 1 1 9  19 0  o 228.9619 3.452575  519.1521       14.63871  542.2178       26.46026  508.9787       17.57294  0.000000       0.000000  
1 1 1 9  19 1  o 158.0327 1.515506  248.3611       4.709023  257.7384       7.431223  242.0690       6.087198  4.945267       3.031012  
1 1 1 9  19 2  o 256.5739 2.388663  655.5304       12.04537  677.4782       19.01583  640.8224       15.56666  7.087646       4.777326  
1 1 1 9  19 3  o 144.3960 1.298692  208.4943       3.749388  211.8725       5.383109  205.3112       5.225283  2.270386       2.597383  
1 1 1 9  19 4  o 209.3129 1.815003  438.3886       7.596864  434.0699       10.63050  442.8960       10.86036  -2.104736      3.630007  
1 1 1 9  19 5  o 83.12312 0.8830658 69.11010       1.467958  70.21135       2.079822  68.01688       2.072211  1.319939       1.766132  
1 1 1 9  19 6  o 70.04467 0.8247646 49.07488       1.155373  49.18597       1.628747  48.96236       1.639192  0.1597290      1.649529  
1 1 1 9  19 7  o 104.1453 1.083971  108.3536       2.227124  107.5479       2.913700  109.4859       3.454050  -0.9219513     2.167943  
1 1 1 9  19 8  o 103.1265 1.210432  107.3572       2.260987  108.6510       2.687890  104.2265       4.181108  2.175827       2.420864  
1 1 1 9  19 9  o 93.55988 1.132581  87.04751       1.907942  86.33498       2.247773  88.88412       3.608804  -1.329025      2.265162  
1 1 1 9  19 10 o 121.3526 1.232243  147.6324       2.960804  148.9381       3.928929  145.9165       4.504191  1.262726       2.464487  
1 1 1 9  19 11 o 64.68825 0.9417031 42.13414       1.201109  43.54532       1.586720  40.24036       1.838123  2.561470       1.883406  
1 1 1 9  19 12 o 19.13140 1.749048  3.378371       0.6398469 2.703112       0.7782289 4.787150       1.124071  -5.425610      3.498096  
1 1 1 9  19 13 o 38.28386 1.195405  15.03464       0.8194810 15.49728       0.9719801 13.89742       1.523909  2.122021       2.390810  
1 1 1 9  19 14 o 121.0618 1.109257  146.6872       2.643780  145.4977       3.441055  148.4011       4.130365  -1.141472      2.218514  
1 1 1 9  19 15 o 35.07570 1.239552  12.17698       0.8321897 11.75373       1.028142  12.98106       1.417114  -1.699009      2.479105  
1 1 1 9  19 16 o 41.94710 1.019637  17.62370       0.8483284 17.30042       1.124718  18.05033       1.292047  -0.8682785     2.039273  
1 1 1 9  19 17 o 25.47092 1.767307  7.020799       0.7899250 7.569974       0.9405554 5.706170       1.455226  3.841698       3.534615  
1 1 1 9  19 18 o 38.29762 1.083293  14.90450       0.8160247 15.41084       1.072363  14.20797       1.257745  1.626446       2.166585  
1 1 1 9  19 19 o 20.08725 1.968535  4.206758       0.7882707 4.561594       1.111177  3.847279       1.118425  1.783258       3.937070  
1 1 1 9  19 20 o 20.84697 2.129842  4.810950       0.8416967 3.908888       1.243237  5.574304       1.143665  -4.382198      4.259684  
1 1 1 9  19 21 o 24.76049 1.867496  6.389475       0.8996099 5.733343       1.126906  7.542286       1.493726  -3.117620      3.734992  
1 1 1 9  19 22 o 15.69199 2.438962  2.999158       0.7483658 3.337979       0.9698274 2.500471       1.176585  3.314257       4.877924  
1 1 1 9  20 0  o 99.41807 1.691667  100.4377       3.204594  103.9618       4.013905  94.24271       5.321804  0.000000       0.000000  
1 1 1 9  20 1  o 103.6803 1.244777  106.6953       2.401598  105.2812       2.896162  109.8082       4.297004  -2.169785      2.489553  
1 1 1 9  20 2  o 72.73398 0.9851719 52.91178       1.433064  52.32569       2.019738  53.50598       2.033650  -0.8112640     1.970344  
1 1 1 9  20 3  o 115.1577 1.169356  131.7409       2.645168  127.9867       3.409924  137.4135       4.191563  -4.084999      2.338712  
1 1 1 9  20 4  o 165.2036 1.576339  273.1907       5.156912  273.6792       6.833185  272.5444       7.860122  0.3593597      3.152678  
1 1 1 9  20 5  o 39.88887 1.215532  16.02436       0.8619663 16.15105       1.011557  15.68849       1.647019  0.5885239      2.431063  
1 1 1 9  20 6  f 40.22598 0.9995317 16.22400       0.7931499 16.41418       1.042503  15.96264       1.222165  0.5637283      1.999063  
1 1 1 9  20 7  o 104.8244 1.014924  109.8520       2.126983  113.0631       3.058451  106.8444       2.959981  2.964661       2.029848  
1 1 1 9  20 8  o 59.84442 1.023476  36.20132       1.135905  36.83734       1.376563  34.84410       2.010890  1.677521       2.046951  
1 1 1 9  20 9  o 80.51499 0.9923569 64.97184       1.581669  65.58888       2.097825  64.15905       2.407689  0.8956451      1.984714  
1 1 1 9  20 10 o 133.0142 1.421063  176.8727       3.774668  171.7688       5.170100  182.6988       5.523813  -4.095459      2.842127  
1 1 1 9  20 11 o 75.66782 0.9676945 56.56484       1.425688  54.23206       1.802523  60.46256       2.329961  -4.100716      1.935389  
1 1 1 9  20 12 o 94.54836 1.012777  89.39940       1.838208  89.16740       2.295897  89.81371       3.068114  -0.3130341     2.025554  
1 1 1 9  20 13 o 128.3477 1.863706  164.9835       3.528674  164.6213       3.854729  166.8569       8.766608  -0.3403168     3.727412  
1 1 1 9  20 14 o 47.12998 0.9833750 22.45009       0.8842176 22.89447       1.102554  21.64916       1.480206  1.354477       1.966750  
1 1 1 9  20 15 o 58.20798 1.055069  33.89513       1.226364  31.90781       1.680517  36.15912       1.793691  -3.638557      2.110137  
1 1 1 9  20 16 o 22.04558 1.722496  4.936234       0.7588249 4.982544       1.054691  4.886538       1.092593  0.2296448      3.444992  
1 1 1 9  20 17 o 8.621287 2.519289  0.2347042      0.6747428 0.1082028      0.8296480 0.4818456      1.159628  -2.007716      5.038578  
1 1 1 9  20 18 o 29.11500 1.366772  8.760298       0.7621077 9.198236       0.9638530 8.029814       1.244830  2.114931       2.733544  
1 1 1 9  20 19 o 25.96695 1.531759  6.972218       0.7868736 7.952811       1.097774  5.936007       1.128476  3.900774       3.063518  
1 1 1 9  20 20 o 37.18364 1.201800  14.27307       0.8807180 14.83286       1.165671  13.52845       1.344411  1.885681       2.403600  
1 1 1 9  20 21 o 10.59399 2.754166  1.222909       0.7645125 1.394599       0.9502875 0.9079074      1.287180  0.8361845      5.508332  
1 1 1 9  20 22 o 9.631708 2.695011  0.9207819      0.7771387 1.137090       1.028202  0.6325595      1.186877  0.9083910      5.390022  
1 1 1 9  21 0  o 187.5854 2.838336  356.8552       10.19669  368.0012       12.83188  337.7585       16.79616  0.000000       0.000000  
1 1 1 9  21 1  o 55.73557 0.8543727 31.02469       0.9515441 30.01156       1.312469  32.14730       1.381561  -1.915432      1.708745  
1 1 1 9  21 2  o 285.3741 2.447796  815.6297       13.97021  820.1378       19.86320  811.2169       19.65219  1.558197       4.895592  
1 1 1 9  21 3  o 188.8130 1.782357  357.8377       6.695982  345.8605       9.891894  367.9675       9.097058  -5.868546      3.564713  
1 1 1 9  21 4  o 146.3603 1.423106  214.2793       4.119922  214.8687       6.315948  213.8426       5.435562  0.3360901      2.846212  
1 1 1 9  21 5  o 79.05278 0.9593676 62.41560       1.499649  63.17162       2.307054  61.86242       1.973455  0.8237686      1.918735  
1 1 1 9  21 6  o 171.5839 1.640324  293.9334       5.556323  299.7275       8.614357  289.8055       7.270995  2.858429       3.280647  
1 1 1 9  21 7  o 168.7728 1.728485  285.1505       5.831699  281.4696       8.103765  289.1041       8.398675  -2.252640      3.456969  
1 1 1 9  21 8  o 226.2280 2.119125  512.9476       9.489731  515.1642       14.50987  511.2907       12.54462  0.7644348      4.238250  
1 1 1 9  21 9  o 52.25927 0.9735668 27.29235       1.002277  27.12057       1.306951  27.53763       1.561696  -0.3928299     1.947134  
1 1 1 9  21 10 o 130.4871 1.256973  171.6501       3.196090  175.9084       4.110771  165.1418       5.082087  4.159668       2.513946  
1 1 1 9  21 11 o 142.3863 1.555341  202.9783       3.977412  202.6904       4.686434  203.7200       7.520688  -0.2172546     3.110682  
1 1 1 9  21 12 o 52.75097 1.082660  28.30218       1.023568  28.87247       1.211128  26.87668       1.914820  1.923122       2.165320  
1 1 1 9  21 13 o 114.4278 1.148539  131.8051       2.544015  133.4887       3.227051  129.0409       4.135001  2.010941       2.297078  
1 1 1 9  21 14 o 29.95926 1.379827  8.959988       0.8125092 8.694148       1.048683  9.359248       1.285171  -1.077719      2.759653  
1 1 1 9  21 15 o 29.90637 1.657247  8.743167       0.9428927 9.962204       1.648268  8.150205       1.149563  2.924416       3.314494  
1 1 1 9  21 16 o 36.54588 1.276130  13.60027       0.8692520 13.84091       1.058509  13.10192       1.523308  1.118195       2.552260  
1 1 1 9  21 17 o 36.24264 1.171338  13.22166       0.8337575 13.09961       1.079288  13.40229       1.312991  -0.3559837     2.342675  
1 1 1 9  21 18 o 10.57695 2.609618  1.087700       0.6904488 1.370804       0.8834932 0.6435153      1.106654  1.632006       5.219235  
1 1 1 9  21 19 o 9.974248 2.582489  0.6889700      0.7167935 -0.1467157E-01 0.9501491 1.618365       1.091984  -4.496916      5.164978  
1 1 1 9  21 20 o 27.01663 1.771077  7.569543       0.8612443 7.351260       1.012724  8.139914       1.637040  -0.7237358     3.542155  
1 1 1 9  21 21 o 9.295452 2.545839  0.7746840      0.7121783 1.251580       0.9418805 0.1380575      1.088244  2.335967       5.091678  
1 1 1 9  21 22 o 9.084011 2.775029  0.5759799      0.9029531 0.4682837      1.155992  0.7445185      1.446119  -0.9726191     5.550059  
1 1 1 9  22 0  o 139.1816 2.207203  195.6474       5.829848  199.0871       7.231551  189.2621       9.852936  0.000000       0.000000  
1 1 1 9  22 1  o 102.0675 1.092216  104.0691       2.201308  103.3137       2.886899  105.1184       3.402495  -0.8782654     2.184432  
1 1 1 9  22 2  o 127.0806 1.273023  161.8197       3.207402  163.4801       4.275579  159.6826       4.850532  1.502129       2.546046  
1 1 1 9  22 3  o 272.4590 2.529070  743.9125       13.64163  744.2410       20.82846  743.6655       18.05235  0.2145386E-01  5.058141  
1 1 1 9  22 4  o 251.9887 2.173225  635.7658       10.94750  624.9841       15.20685  647.3650       15.77287  -4.424286      4.346451  
1 1 1 9  22 5  o 221.6695 1.924121  492.0049       8.528239  486.8475       11.90444  497.4425       12.22339  -2.380783      3.848243  
1 1 1 9  22 6  o 106.0788 1.030035  112.5004       2.183778  110.4764       3.022204  114.7119       3.158993  -1.994011      2.060071  
1 1 1 9  22 7  o 156.2585 1.503444  244.6323       4.654017  245.6257       6.178310  243.3292       7.076241  0.7615204      3.006889  
1 1 1 9  22 8  o 134.8043 1.234268  181.8943       3.326930  180.7973       4.649386  183.0453       4.762638  -0.8302460     2.468537  
1 1 1 9  22 9  o 30.45602 1.356866  9.482239       0.7929185 10.05230       1.007389  8.553986       1.285490  2.469391       2.713733  
1 1 1 9  22 10 o 55.34540 1.092328  30.49311       1.081184  30.28558       1.268757  31.04350       2.066161  -0.6582985     2.184656  
1 1 1 9  22 11 o 147.6981 1.393427  219.5365       4.000311  222.7843       5.109613  214.3936       6.429830  2.904816       2.786855  
1 1 1 9  22 12 o 19.94730 1.993196  4.171230       0.7124234 4.370848       0.8679541 3.759039       1.247230  1.851574       3.986392  
1 1 1 9  22 13 o 52.22229 1.050793  27.32075       1.092446  27.19291       1.474242  27.47645       1.626920  -0.2596550     2.101587  
1 1 1 9  22 14 o 40.83306 1.568181  17.49645       0.8874467 17.78538       0.9612080 15.82770       2.310030  2.597885       3.136361  
1 1 1 9  22 15 o 30.48845 1.405065  9.258853       0.7377769 9.157449       0.8476393 9.575747       1.498442  -0.5671368     2.810130  
1 1 1 9  22 16 o 33.12113 1.207636  11.00399       0.7903883 10.68116       1.033834  11.45811       1.226172  -1.123707      2.415271  
1 1 1 9  22 17 o 15.17185 2.394260  2.596712       0.7249035 3.309915       0.9477274 1.591142       1.125337  5.608769       4.788520  
1 1 1 9  22 18 o 10.61083 2.738738  1.034285       0.7585596 1.156243       1.068720  0.9104641      1.076856  0.6396151      5.477477  
1 1 1 9  22 19 o 14.63393 2.712390  2.359801       0.8605142 1.211070       1.200818  3.572404       1.233752  -6.782609      5.424780  
1 1 1 9  22 20 o 9.498451 2.701976  0.6458023      0.8077031 1.050814       1.081065  0.1340552      1.215194  1.629499       5.403952  
1 1 1 9  22 21 o 8.668884 2.422706  0.2570706      0.7644193 1.404636       0.9738056 -1.585340      1.233891  4.514967       4.845411  
1 1 1 9  22 22 o 9.787512 2.724133  1.094901       0.7827801 1.138741       1.046653  1.039255       1.179199  0.1059713      5.448267  
1 1 1 9  23 0  o 132.1253 1.725627  174.6575       4.553630  179.8519       6.584582  169.8960       6.304176  0.000000       0.000000  
1 1 1 9  23 1  o 98.46118 0.9908780 96.96341       1.950996  96.06958       2.732272  97.89327       2.786786  -0.9254227     1.981756  
1 1 1 9  23 2  o 147.7401 1.332393  218.3896       3.936699  220.4863       5.606788  216.3508       5.528700  1.398239       2.664786  
1 1 1 9  23 3  o 247.4825 2.472831  613.8759       12.23874  619.7150       17.43835  608.2079       17.18091  2.315979       4.945661  
1 1 1 9  23 4  o 360.7107 3.335238  1306.764       23.80002  1304.401       31.41902  1309.946       36.45663  -0.5210571     6.670476  
1 1 1 9  23 5  o 68.93204 0.9201722 47.63365       1.254773  48.22588       1.662205  46.84907       1.913179  1.002464       1.840344  
1 1 1 9  23 6  o 93.29105 1.517031  89.10791       2.291494  90.54758       2.583399  83.79549       4.962567  3.683640       3.034061  
1 1 1 9  23 7  o 217.2518 2.039750  474.7062       8.812905  488.0606       11.94781  458.7696       13.05191  6.794662       4.079500  
1 1 1 9  23 8  o 59.03704 1.071060  34.95334       1.248076  34.43249       1.919793  35.33462       1.642551  -0.7714653     2.142121  
1 1 1 9  23 9  o 136.2297 1.189475  186.0631       3.230501  189.4674       4.419236  182.1562       4.734249  2.693939       2.378951  
1 1 1 9  23 10 o 142.7489 1.359816  204.4417       3.756495  205.3850       4.752918  202.8718       6.131567  0.9420471      2.719632  
1 1 1 9  23 11 o 57.94016 0.9766618 33.43111       1.072162  33.06601       1.316187  34.15121       1.848470  -0.9162140     1.953324  
1 1 1 9  23 12 o 50.68719 1.065689  25.39935       1.056639  24.18196       1.345616  27.35728       1.706501  -3.107620      2.131379  
1 1 1 9  23 13 o 33.01987 1.233770  10.81042       0.7509147 10.60282       0.8973939 11.29526       1.371407  -0.9958420     2.467541  
1 1 1 9  23 14 o 25.98452 2.182627  5.100887       0.8103948 4.494461       0.8618814 9.726496       2.380362  -9.703606      4.365253  
1 1 1 9  23 15 o 21.73472 1.686286  5.093528       0.6667193 5.666708       0.8205993 3.980282       1.143618  3.968187       3.372572  
1 1 1 9  23 16 o 22.83803 1.620906  5.297276       0.7348198 5.294351       0.9812694 5.301011       1.108754  0.2901840E-01  3.241812  
1 1 1 9  23 17 o 56.47540 1.051284  32.09017       1.185843  34.14717       1.729223  30.26402       1.629303  3.408245       2.102568  
1 1 1 9  23 18 o 32.45245 1.298109  10.84082       0.8289230 11.55823       1.102439  9.907672       1.257319  2.617231       2.596219  
1 1 1 9  23 19 o 23.03271 2.518111  6.739864       0.9383839 7.969355       1.129968  4.007730       1.684436  9.528881       5.036222  
1 1 1 9  23 20 o 24.50259 1.704247  6.371605       0.8274559 6.364063       1.099743  6.381448       1.256202  0.1636219      3.408495  
1 1 1 9  23 21 o 9.557119 2.655813  0.8041586      0.8308510 1.495341       1.001479  -0.7219461     1.488119  3.141335       5.311625  
1 1 1 9  24 0  o 75.00209 1.270170  56.32197       1.902087  58.39494       2.733731  54.37665       2.648222  0.000000       0.000000  
1 1 1 9  24 1  o 145.2166 1.427339  211.3951       4.110941  208.3100       6.204523  213.8093       5.488583  -1.907944      2.854678  
1 1 1 9  24 2  f 146.1994 1.325952  213.8714       3.876605  212.3299       5.433116  215.4701       5.532942  -1.072037      2.651904  
1 1 1 9  24 3  o 254.1933 2.369720  648.1754       11.93951  644.0842       18.10807  651.3220       15.88042  -1.503555      4.739440  
1 1 1 9  24 4  o 172.8366 1.531089  298.9970       5.291884  302.6462       7.558244  295.4881       7.411620  2.067017       3.062178  
1 1 1 9  24 5  o 113.9815 1.345391  128.1822       2.833572  125.2926       3.389855  134.8838       5.162414  -4.163055      2.690782  
1 1 1 9  24 6  o 145.9230 1.323022  212.8803       3.857815  219.9474       5.600732  206.5004       5.321518  4.599319       2.646044  
1 1 1 9  24 7  o 109.9059 1.298789  120.8010       2.713067  121.3799       4.628227  120.4980       3.348777  0.3598175      2.597578  
1 1 1 9  24 8  o 53.36225 0.8667833 28.45857       0.9245106 27.52535       1.280779  29.47380       1.335872  -1.824421      1.733567  
1 1 1 9  24 9  o 62.50498 0.8666193 39.09963       1.083023  39.30845       1.515117  38.88144       1.548687  0.3424873      1.733239  
1 1 1 9  24 10 o 25.99453 1.583085  6.759941       0.7719458 6.733814       0.9399176 6.814090       1.353081  -0.1319160     3.166169  
1 1 1 9  24 11 o 75.01199 1.023528  56.31845       1.516520  56.15920       1.992655  56.53764       2.337831  -0.2352982     2.047057  
1 1 1 9  24 12 o 38.36393 1.188321  14.96056       0.8523719 15.35192       1.042879  14.17304       1.479362  1.570095       2.376642  
1 1 1 9  24 13 o 93.00945 1.241422  86.69709       2.309279  86.69709       2.309279  ?              ?         ?              ?         
1 1 1 9  24 14 o 37.30318 1.090222  14.27542       0.7582985 14.85681       0.9294340 13.11796       1.311405  2.382141       2.180445  
1 1 1 9  24 15 o 11.51842 2.477965  1.435614       0.6195468 1.680734       0.7386724 0.8541128      1.137728  2.112803       4.955931  
1 1 1 9  24 16 o 20.02762 1.875440  4.100451       0.7466247 4.119073       1.003784  4.077387       1.117047  0.1504002      3.750879  
1 1 1 9  24 17 o 15.56381 2.694973  2.453402       0.7756858 2.128871       0.9189364 3.257777       1.446728  -3.100583      5.389946  
1 1 1 9  24 18 o 14.57170 2.579515  2.396075       0.7533683 2.723565       1.002693  1.971546       1.141623  2.453072       5.159030  
1 1 1 9  24 19 o 20.76839 2.248622  5.106407       0.8303271 6.273818       1.073718  3.369641       1.309631  7.561646       4.497244  
1 1 1 9  24 20 o 19.30011 1.980862  4.049059       0.7618845 4.467522       1.087807  3.646136       1.067418  2.096476       3.961725  
1 1 1 9  24 21 o 15.21868 2.926864  2.858416       0.9458368 4.205512       1.449802  1.860234       1.247999  6.136287       5.853728  
1 1 1 9  25 0  o 222.1678 2.737651  494.8344       12.15604  496.4599       17.22488  493.2215       17.15779  0.000000       0.000000  
1 1 1 9  25 1  o 112.7449 1.179448  127.4469       2.636611  125.1884       3.981005  129.2117       3.519045  -1.792694      2.358896  
1 1 1 9  25 2  o 82.05465 0.9119174 67.35287       1.496474  68.26235       2.122954  66.45464       2.109774  1.101334       1.823835  
1 1 1 9  25 3  o 190.6592 1.809453  363.9601       6.828511  365.1042       10.44119  363.1050       9.026489  0.4791718      3.618905  
1 1 1 9  25 4  o 210.2349 2.263900  438.2846       8.825259  430.3013       10.59956  456.3255       15.93395  -5.961868      4.527801  
1 1 1 9  25 5  o 114.0802 1.096151  130.2121       2.500086  129.2367       3.483666  131.2480       3.590043  -0.8789444     2.192302  
1 1 1 9  25 6  o 84.74403 0.9271650 71.79702       1.570506  70.12072       2.175920  73.61991       2.269070  -2.062378      1.854330  
1 1 1 9  25 7  o 86.59167 1.030231  73.49070       1.714224  69.75857       2.121419  80.51253       2.909870  -6.188866      2.060461  
1 1 1 9  25 8  o 50.85963 0.8895227 25.88388       0.9047632 26.25748       1.281821  25.51295       1.277248  0.7318230      1.779045  
1 1 1 9  25 9  o 72.45140 0.8821066 52.51007       1.276740  52.11381       1.760929  52.94923       1.853815  -0.5737991     1.764213  
1 1 1 9  25 10 o 51.88154 1.074649  27.12064       1.094809  27.90115       1.430628  26.01754       1.700767  1.826546       2.149299  
1 1 1 9  25 11 o 22.13217 1.782131  4.584918       0.7514312 3.887949       0.9092341 6.086660       1.334647  -4.920174      3.564262  
1 1 1 9  25 12 o 31.37156 1.554912  9.459771       0.8176846 9.116852       0.9227143 10.71408       1.764707  -2.438618      3.109824  
1 1 1 9  25 13 o 21.70219 1.756413  4.681045       0.7499343 4.378964       0.9643704 5.143194       1.192818  -1.718405      3.512827  
1 1 1 9  25 14 o 24.16650 1.451111  5.854298       0.6634833 5.786029       0.8134157 5.990015       1.146884  -0.3570404     2.902221  
1 1 1 9  25 15 o 24.77681 1.504307  6.712576       0.6631637 7.509646       0.8062537 5.045392       1.166045  5.078560       3.008613  
1 1 1 9  25 16 o 13.57194 2.597933  2.001483       0.7874540 0.8562091      1.160304  2.979375       1.072167  -6.226891      5.195866  
1 1 1 9  25 17 o 42.83637 1.297161  18.31137       1.077215  17.45713       1.351563  19.79901       1.783585  -2.568069      2.594323  
1 1 1 9  25 18 o 17.09699 3.256691  2.777414       1.078519  1.836207       1.265725  5.272110       2.060657  -8.242138      6.513382  
1 1 1 9  25 19 o 15.08945 2.755810  2.676311       0.8512996 2.021971       1.167077  3.420332       1.244487  -4.064281      5.511620  
1 1 1 9  25 20 o 29.70218 1.472879  9.332504       0.8637637 9.530090       1.143466  9.069931       1.318171  1.000628       2.945758  
1 1 1 9  25 21 o 30.47237 1.535586  10.00475       0.9357208 10.24252       1.332613  9.773495       1.314197  0.7366753      3.071172  
1 1 1 9  26 0  o 11.71943 3.925333  2.090996       1.166155  0.5178217      2.225859  2.686175       1.369092  0.000000       0.000000  
1 1 1 9  26 1  o 65.74796 0.8731973 43.25363       1.147989  42.51171       1.629586  43.98458       1.617486  -1.120277      1.746395  
1 1 1 9  26 2  o 69.80470 0.9492699 48.64752       1.307575  48.13091       1.710461  49.37395       2.028275  -0.8846970     1.898540  
1 1 1 9  26 3  o 78.67522 1.051540  61.91359       1.654059  64.20197       2.362088  59.71184       2.316950  2.852638       2.103081  
1 1 1 9  26 4  o 206.2245 1.804732  426.1656       7.443425  428.6327       10.57068  423.7393       10.48306  1.182816       3.609464  
1 1 1 9  26 5  o 83.71268 0.9243426 70.09000       1.547017  69.04354       2.153132  71.20672       2.224225  -1.290359      1.848685  
1 1 1 9  26 6  o 53.41449 1.059017  28.65847       1.089533  28.16253       1.794419  28.94807       1.371232  -0.7465630     2.118033  
1 1 1 9  26 7  o 119.7278 1.136013  143.4935       2.719967  143.5252       3.819656  143.4608       3.874152  0.2861786E-01  2.272025  
1 1 1 9  26 8  o 181.7944 1.738403  331.7249       6.267988  328.8793       9.474924  333.9394       8.358268  -1.454285      3.476805  
1 1 1 9  26 9  o 54.97696 1.022332  29.29334       1.086898  26.76311       1.349534  33.96453       1.833658  -6.531921      2.044664  
1 1 1 9  26 10 o 45.27286 0.9198577 20.52675       0.8326049 20.01298       1.181629  21.03337       1.173377  -1.127304      1.839715  
1 1 1 9  26 11 o 100.1297 1.347564  100.7332       2.603611  101.1192       3.280043  100.0758       4.280752  0.6085434      2.695128  
1 1 1 9  26 12 o 66.82118 1.084185  44.27932       1.293791  43.66338       1.514529  45.94251       2.488741  -1.605133      2.168370  
1 1 1 9  26 13 o 78.18828 0.9644109 61.33600       1.448763  61.37778       1.813117  61.26219       2.409502  0.1397629      1.928822  
1 1 1 9  26 14 o 10.94893 2.575814  1.153822       0.6266435 1.104387       0.7566649 1.261754       1.118039  -1.095810      5.151627  
1 1 1 9  26 15 o 44.48993 1.042766  20.10485       0.8969542 20.67549       1.140929  19.18147       1.451331  1.746620       2.085533  
1 1 1 9  26 16 o 52.74984 1.008293  28.38389       1.000923  29.08321       1.232051  27.02639       1.716570  2.082153       2.016586  
1 1 1 9  26 17 o 24.82866 3.206813  7.106054       1.020033  7.173139       1.092475  6.649953       2.848609  3.310507       6.413626  
1 1 1 9  26 18 o 22.04979 1.886715  5.086828       0.8226394 5.171113       1.091513  4.976001       1.251631  0.5724888      3.773431  
1 1 1 9  26 19 o 9.883753 2.842792  0.5792969      0.8421314 0.2118161      1.027719  1.330295       1.469185  -3.250803      5.685584  
1 1 1 9  26 20 o 8.017301 2.474522  -0.4821459     0.8049955 -1.592999      1.057315  1.049792       1.241643  -4.481163      4.949044  
1 1 1 9  26 21 o 8.551977 2.627790  0.4284678      0.8370574 0.3153747      1.214479  0.5308066      1.155293  -0.2477703     5.255580  
1 1 1 9  27 0  o 146.1958 2.313388  214.7811       6.382086  215.5954       7.841037  213.1828       10.98546  0.000000       0.000000  
1 1 1 9  27 1  o 176.7317 1.693307  313.1000       5.928071  311.2370       9.014660  314.5195       7.868796  -0.9695587     3.386614  
1 1 1 9  27 2  o 195.2791 1.988410  382.2525       7.765341  386.1952       11.06307  378.4236       10.90239  1.982697       3.976819  
1 1 1 9  27 3  f 60.34858 0.9414411 36.49087       1.123900  36.10544       1.716495  36.78011       1.486969  -0.5642929     1.882882  
1 1 1 9  27 4  o 150.7692 1.672079  226.7971       4.748221  230.6466       8.275220  224.9076       5.797556  1.800049       3.344159  
1 1 1 9  27 5  o 164.7896 1.803534  275.5720       5.700439  259.8543       9.372152  284.8008       7.181569  -7.667786      3.607067  
1 1 1 9  27 6  o 77.06476 0.9882714 59.35421       1.506474  59.97294       2.313682  58.89886       1.984871  0.6879959      1.976543  
1 1 1 9  27 7  o 74.73996 0.8978506 55.85751       1.341376  54.66126       1.860042  57.15376       1.936235  -1.665306      1.795701  
1 1 1 9  27 8  o 61.28221 0.8964742 37.57833       1.098671  37.03661       1.542602  38.13601       1.565155  -0.8963089     1.792948  
1 1 1 9  27 9  o 32.29251 1.155020  10.44779       0.7449967 11.13748       1.059438  9.773126       1.047827  2.111948       2.310039  
1 1 1 9  27 10 o 39.54878 1.086749  15.83669       0.8499936 17.18520       1.153027  14.23155       1.257961  3.741295       2.173499  
1 1 1 9  27 11 o 42.18795 1.274133  17.38439       0.9839750 16.71366       1.164714  19.05661       1.839036  -2.707321      2.548265  
1 1 1 9  27 12 o 40.12319 1.241783  16.12748       0.9946550 17.55710       1.446290  14.84450       1.370109  3.370422       2.483565  
1 1 1 9  27 13 o 43.30083 1.086295  19.23441       0.9031503 20.44881       1.149796  17.27813       1.459334  3.704212       2.172589  
1 1 1 9  27 14 o 12.95362 2.466365  1.892590       0.6948323 2.521140       0.8807876 0.8568759      1.130632  5.012789       4.932730  
1 1 1 9  27 15 o 31.35087 1.292911  10.13595       0.7489740 10.49630       0.9100598 9.379572       1.318501  1.894346       2.585822  
1 1 1 9  27 16 o 63.52962 1.171663  40.67069       1.337668  40.49397       1.576425  41.12517       2.528085  -0.1855049     2.343326  
1 1 1 9  27 17 o 41.15224 1.813175  17.38803       1.340840  17.23737       1.580516  17.77488       2.532630  -0.4331207E-01 3.626351  
1 1 1 9  27 18 o 28.03117 1.551139  8.258225       0.8476183 8.614555       1.099382  7.735959       1.330974  1.775984       3.102279  
1 1 1 9  27 19 o 23.48665 1.873642  6.065102       0.8571609 6.986472       1.160265  4.958049       1.271818  4.476467       3.747284  
1 1 1 9  27 20 o 9.347969 2.723659  0.6963349      0.8321977 1.023449       1.163640  0.3538684      1.190634  1.300676       5.447318  
1 1 1 9  28 0  o 53.93294 1.329892  29.18911       1.430116  30.20580       2.055136  28.23455       1.991351  0.000000       0.000000  
1 1 1 9  28 1  o 130.3355 1.328066  169.9460       3.422397  169.1559       4.507158  171.0219       5.259467  -0.6906586     2.656132  
1 1 1 9  28 2  o 97.45563 1.006087  95.04508       1.960891  95.09183       2.760557  94.99747       2.785852  0.4904938E-01  2.012174  
1 1 1 9  28 3  o 121.5879 1.398448  149.6379       3.268158  142.0992       5.358593  154.1028       4.123936  -4.978897      2.796897  
1 1 1 9  28 4  o 79.41141 0.9999812 63.12236       1.574141  62.99502       2.389213  63.22003       2.092517  -0.1492767     1.999962  
1 1 1 9  28 5  o 105.6484 1.052076  111.6353       2.222060  109.1650       3.087867  114.2885       3.200069  -2.421501      2.104153  
1 1 1 9  28 6  o 41.31865 1.158108  17.52543       0.9249736 19.14184       1.199913  15.15822       1.452088  4.829468       2.316216  
1 1 1 9  28 7  o 91.89641 0.9815025 84.50740       1.803378  83.77841       2.514929  85.27898       2.587337  -0.8140640     1.963005  
1 1 1 9  28 8  o 20.70075 1.832607  4.261422       0.7550889 3.893544       1.009876  4.727851       1.137128  -2.006361      3.665214  
1 1 1 9  28 9  o 57.31410 0.9145619 32.84812       1.047604  34.54510       1.510736  31.27628       1.453965  2.848915       1.829124  
1 1 1 9  28 10 o 67.68404 1.005385  46.07309       1.326769  46.70375       1.703011  45.09923       2.116282  1.212646       2.010769  
1 1 1 9  28 11 o 18.44690 2.065964  3.375787       0.7470049 3.128861       0.9516400 3.772183       1.205743  -1.692730      4.131928  
1 1 1 9  28 12 o 20.52942 2.223798  4.371819       0.8090279 4.413166       0.9678055 4.275894       1.474122  0.7799931      4.447596  
1 1 1 9  28 13 o 29.12187 1.309471  8.282107       0.6972238 7.917123       0.8237732 9.203893       1.309139  -2.107397      2.618941  
1 1 1 9  28 14 o 27.02640 1.481966  7.494788       0.7714397 7.772793       0.9789454 7.039283       1.253079  1.443491       2.963932  
1 1 1 9  28 15 f 47.79711 1.159338  22.57617       0.9666113 22.08743       1.114995  24.05460       1.939244  -1.829411      2.318675  
1 1 1 9  28 16 o 38.05220 1.256369  14.49942       0.9460984 13.54980       1.235973  15.84326       1.470300  -2.925293      2.512738  
1 1 1 9  28 17 o 17.33370 2.887249  2.714347       0.9027130 1.868530       1.037908  5.341429       1.829184  -8.699647      5.774497  
1 1 1 9  28 18 o 25.36602 1.802705  6.823224       0.9130865 7.331850       1.304978  6.335378       1.278042  1.932131       3.605409  
1 1 1 9  28 19 o 11.88508 2.689483  1.413139       0.7950503 0.4034069      1.040595  2.829178       1.232300  -6.619704      5.378966  
1 1 1 9  28 20 o 9.434244 2.729954  0.7146197      0.8374186 1.146147       1.169860  0.2611263      1.199265  1.731460       5.459907  
1 1 1 9  29 0  o 48.86271 1.636738  24.85010       1.531435  20.45547       2.378193  27.96343       2.001696  0.000000       0.000000  
1 1 1 9  29 1  o 114.2494 1.810671  0.000000       0.000000  ?              ?         130.6825       4.137363  ?              ?         
1 1 1 9  29 2  o 83.10135 0.9404829 69.07688       1.562646  68.09985       2.178250  70.11286       2.243003  -1.209618      1.880966  
1 1 1 9  29 3  o 65.49143 1.556837  0.000000       0.000000  ?              ?         42.93034       2.039190  ?              ?         
1 1 1 9  29 4  o 73.20399 0.9037412 53.62560       1.322810  53.52457       1.891342  53.72233       1.850789  -0.1361084     1.807482  
1 1 1 9  29 5  o 16.79613 2.319728  2.930392       0.7467234 2.919539       1.001659  2.943969       1.120331  -0.2267456E-01 4.639457  
1 1 1 9  29 6  o 48.26309 1.268141  23.59800       1.083444  23.91634       1.270255  22.74814       2.075485  1.243343       2.536282  
1 1 1 9  29 7  o 48.14622 0.9683473 23.21209       0.9317005 23.45301       1.295880  22.95428       1.340499  0.5195160      1.936695  
1 1 1 9  29 8  o 33.65278 1.172015  11.33056       0.7882704 10.80110       1.093229  11.90394       1.137664  -1.636116      2.344030  
1 1 1 9  29 9  o 33.01143 1.341302  10.36184       0.8490462 9.077582       1.037653  12.96353       1.476909  -5.847208      2.682605  
1 1 1 9  29 10 o 81.39888 1.071070  66.35537       1.741604  68.19800       2.537921  64.71532       2.394344  2.125862       2.142140  
1 1 1 9  29 11 o 16.64515 2.215919  2.750696       0.6783407 3.398921       1.191598  2.439912       0.8250809 2.698332       4.431839  
1 1 1 9  29 12 o 32.14774 1.451557  10.04353       0.7939732 9.725378       0.9027447 11.13027       1.668431  -2.044491      2.903114  
1 1 1 9  29 13 o 50.30504 1.138616  25.52679       1.001224  25.58181       1.162698  25.36893       1.969362  0.3739281      2.277232  
1 1 1 9  29 14 o 38.38410 1.269464  14.25206       0.8709748 13.53925       1.012435  16.28163       1.708375  -3.386681      2.538928  
1 1 1 9  29 15 o 12.57060 2.830315  1.660516       0.7943947 1.536480       1.053722  1.823838       1.209132  -0.9779463     5.660629  
1 1 1 9  29 16 o 46.74436 1.284693  21.14395       1.102479  19.62861       1.300217  25.02066       2.079658  -5.391335      2.569386  
1 1 1 9  29 17 o 25.67643 2.005354  6.767797       0.9610028 6.509578       1.158021  7.339006       1.722345  -1.132669      4.010707  
1 1 1 9  29 18 o 11.90917 2.685088  1.616934       0.8105355 2.436731       1.052929  0.4245720      1.269843  5.121011       5.370175  
1 1 1 9  29 19 o 22.28778 1.988127  5.470011       0.8849668 5.672345       1.293606  5.292016       1.213313  0.7057934      3.976253  
1 1 1 9  29 20 o 19.44151 2.517216  4.562322       0.9300265 5.180366       1.528436  4.198953       1.171956  1.045931       5.034433  
1 1 1 9  30 0  o 191.0973 2.400799  366.3060       9.168696  369.5469       13.05483  363.1513       12.87993  0.000000       0.000000  
1 1 1 9  30 1  o 141.5244 1.419037  199.7466       3.956800  205.5141       6.189736  195.7611       5.145400  3.404770       2.838073  
1 1 1 9  30 2  o 120.1833 1.160695  144.3778       2.787094  139.9431       3.837522  149.3282       4.054517  -3.897331      2.321390  
1 1 1 9  30 3  o 70.34369 0.9957545 49.47892       1.390780  49.89721       2.100895  49.15263       1.855589  0.5218887      1.991509  
1 1 1 9  30 4  o 94.28978 1.092742  89.10298       2.044121  88.19189       3.084814  89.81622       2.729360  -0.8738174     2.185483  
1 1 1 9  30 5  o 76.32858 1.037385  58.60400       1.570181  55.91063       2.348661  60.78065       2.111384  -3.198448      2.074769  
1 1 1 9  30 6  o 38.74601 1.231716  15.14172       0.9306030 14.54352       1.476201  15.53624       1.198818  -1.293324      2.463431  
1 1 1 9  30 7  o 81.62631 1.034353  66.68544       1.675462  66.98109       2.535041  66.45615       2.232593  0.3076477      2.068706  
1 1 1 9  30 8  o 117.0347 1.234356  137.7089       2.872266  133.6955       4.265628  141.0379       3.884996  -3.166367      2.468712  
1 1 1 9  30 9  o 77.71991 0.9965196 60.34913       1.528441  59.44884       1.997970  61.61937       2.373232  -1.368835      1.993039  
1 1 1 9  30 10 o 72.39601 0.9736556 52.59349       1.401011  52.17825       2.097300  52.92809       1.882689  -0.5387573     1.947311  
1 1 1 9  30 11 o 50.70770 0.9248948 25.59479       0.9276005 27.01332       1.437840  24.58350       1.214027  2.372234       1.849790  
1 1 1 9  30 12 o 25.06949 1.500005  6.588074       0.7083740 7.185555       0.8908496 5.560683       1.168180  3.305132       3.000011  
1 1 1 9  30 13 o 22.31598 1.959599  5.034643       0.7456663 4.978884       0.8534653 5.214491       1.532784  -0.2529354     3.919198  
1 1 1 9  30 14 o 79.41037 1.076017  63.58861       1.693655  63.89739       2.253105  63.18747       2.568062  0.5259094      2.152033  
1 1 1 9  30 15 o 21.94449 1.718045  4.572737       0.7134954 3.907333       0.8570468 6.075223       1.287856  -4.728743      3.436089  
1 1 1 9  30 16 o 32.19342 1.686558  10.38143       0.9946061 9.955020       1.178749  11.43544       1.853231  -1.874868      3.373117  
1 1 1 9  30 17 o 16.75660 2.429941  3.030578       0.7395245 2.784254       0.8876302 3.589577       1.337163  -1.646789      4.859882  
1 1 1 9  30 18 o 29.03189 1.520590  8.842009       0.8776263 8.749461       1.176741  8.958011       1.317446  -0.1944771     3.041181  
1 1 1 9  30 19 o 8.340564 2.566909  0.1320237      0.8206964 0.6393651      1.163453  -0.3704416     1.157848  1.713865       5.133818  
1 1 1 9  30 20 o 10.01021 3.159670  0.7776315      1.213986  0.1210647E-01  2.524064  1.008011       1.384660  0.2131424      6.319339  
1 1 1 9  31 0  o 109.1412 1.889007  119.8033       3.912822  120.4379       4.839810  118.6057       6.648322  0.000000       0.000000  
1 1 1 9  31 1  f 40.17764 1.281090  16.29411       1.021088  18.10400       1.416717  14.33756       1.472999  4.689499       2.562179  
1 1 1 9  31 2  o 73.75411 0.9366381 54.42945       1.381376  53.88872       1.932080  54.99492       1.975775  -0.7485962     1.873276  
1 1 1 9  31 3  o 97.60965 1.027418  95.23923       2.003906  92.40080       2.763120  98.38857       2.910523  -3.062157      2.054836  
1 1 1 9  31 4  o 66.00684 0.9318029 43.61318       1.229821  44.00878       1.725520  43.20475       1.753271  0.6099396      1.863606  
1 1 1 9  31 5  o 142.8482 1.323295  204.4090       3.780035  203.2793       5.293747  205.5843       5.399370  -0.8016205     2.646590  
1 1 1 9  31 6  o 55.99937 0.9316201 31.37739       1.043129  32.29371       1.494110  30.50602       1.457004  1.594631       1.863240  
1 1 1 9  31 7  o 83.34410 1.113176  69.61032       1.853149  74.38169       2.642967  64.99609       2.599082  5.627670       2.226352  
1 1 1 9  31 8  o 24.00279 1.592167  5.789128       0.7641892 5.782794       1.070276  5.795716       1.091489  -0.2463531E-01 3.184334  
1 1 1 9  31 9  f 131.1140 1.241304  172.3223       3.251346  178.6959       4.738051  166.6499       4.469855  4.562103       2.482608  
1 1 1 9  31 10 o 51.70543 0.9859866 26.81639       1.019389  26.17091       1.441958  27.46128       1.441309  -1.247887      1.971973  
1 1 1 9  31 11 o 12.99395 2.363802  1.819797       0.6354461 2.336397       0.8633693 1.209171       0.9386572 3.823335       4.727604  
1 1 1 9  31 12 o 38.05957 1.157086  14.47471       0.8272045 14.26651       1.006159  14.90895       1.453063  -0.7506065     2.314171  
1 1 1 9  31 13 o 38.70377 1.255643  15.24655       0.9617255 16.21569       1.296985  14.06284       1.433393  2.817142       2.511287  
1 1 1 9  31 14 o 56.30807 1.020716  31.56295       1.104983  30.55282       1.373886  33.41324       1.859438  -2.402996      2.041432  
1 1 1 9  31 15 o 51.41572 1.555528  27.05946       1.142534  27.05407       1.240816  27.08947       2.929183  0.8238792      3.111056  
1 1 1 9  31 16 o 33.06730 1.458977  11.33902       0.9508474 12.76664       1.301010  9.702120       1.393112  4.684380       2.917955  
1 1 1 9  31 17 o 12.27450 2.512859  1.888134       0.7131028 2.450369       0.8552307 0.6054952      1.291744  5.088167       5.025717  
1 1 1 9  31 18 o 10.47864 2.784644  1.125672       0.8235124 1.594626       1.103718  0.5367460      1.236868  2.317122       5.569287  
1 1 1 9  31 19 o 11.42296 3.112252  1.408816       0.9506019 2.123169       1.678066  1.071248       1.153544  2.608115       6.224504  
1 1 1 9  32 0  o 27.87588 2.784397  7.417358       1.434932  10.12723       2.582665  6.207308       1.725821  0.000000       0.000000  
1 1 1 9  32 1  o 54.73452 0.9707617 29.98570       1.062674  29.93475       1.499248  30.03714       1.506475  -0.9328842E-01 1.941523  
1 1 1 9  32 2  o 83.27190 0.9778119 69.40932       1.628430  69.79893       2.297985  69.01632       2.307944  0.4702454      1.955624  
1 1 1 9  32 3  o 33.02489 1.364753  11.00465       0.8826905 11.33430       1.147628  10.52718       1.381197  1.233364       2.729506  
1 1 1 9  32 4  o 51.87287 1.042722  26.96981       1.072466  27.16924       1.428969  26.71259       1.622858  0.4480820      2.085444  
1 1 1 9  32 5  o 40.88432 1.107449  16.64575       0.9017029 15.75556       1.209559  17.75933       1.352837  -2.443111      2.214899  
1 1 1 9  32 6  o 53.01383 1.017642  28.03566       1.067974  27.35342       1.405345  28.96820       1.643046  -1.508228      2.035285  
1 1 1 9  32 7  o 36.32473 1.747689  12.61358       1.010808  12.21073       1.120305  14.37748       2.344228  -2.845860      3.495378  
1 1 1 9  32 8  o 95.77504 1.079038  92.01018       2.051355  92.05434       2.738851  91.95374       3.095971  0.8760834E-01  2.158075  
1 1 1 9  32 9  o 86.84654 1.217269  75.85506       2.084739  75.14389       3.221168  76.36766       2.734727  -0.7664261     2.434539  
1 1 1 9  32 10 o 65.05200 0.8844363 42.43540       1.150655  42.06507       1.627092  42.80590       1.627452  -0.5693741     1.768873  
1 1 1 9  32 11 o 66.46890 0.8916123 44.30312       1.184597  46.07458       1.709789  42.66784       1.642766  2.552208       1.783225  
1 1 1 9  32 12 o 25.66294 1.667563  6.701254       0.8452310 6.721879       1.112631  6.673109       1.299736  0.1620541      3.335125  
1 1 1 9  32 13 o 19.56080 1.922809  3.828362       0.7062778 3.663701       0.8540289 4.184650       1.256255  -1.153721      3.845617  
1 1 1 9  32 14 o 16.35906 2.702789  3.341195       0.7728744 3.729568       0.8658857 1.819192       1.714130  5.513892       5.405577  
1 1 1 9  32 15 o 24.98753 1.633268  6.371243       0.7698817 6.287585       0.9416170 6.539945       1.337150  -0.2759628     3.266536  
1 1 1 9  32 16 o 34.10600 1.356846  12.05420       0.8874921 12.32724       1.116176  11.58487       1.463413  1.335957       2.713692  
1 1 1 9  32 17 o 32.88809 1.417619  10.81534       0.8745281 10.08043       1.051755  12.46173       1.574211  -3.119272      2.835238  
1 1 1 9  32 18 f 45.89346 1.458986  22.20552       1.315097  22.37397       2.062579  22.09014       1.707101  -0.1673012     2.917972  
1 1 1 9  32 19 o 9.505810 2.931292  0.6718527      1.048586  0.5817795      1.500882  0.7577407      1.465598  -0.2123804     5.862583  
1 1 1 9  33 0  o 66.86191 1.709744  44.62089       2.124228  45.85505       3.784913  44.05339       2.566559  0.000000       0.000000  
1 1 1 9  33 1  o 73.18806 0.9475273 53.60422       1.386781  52.72309       1.943006  54.51914       1.979923  -1.225670      1.895055  
1 1 1 9  33 2  o 45.49915 1.074837  20.74732       0.9769483 21.18771       1.358346  20.27540       1.406119  1.004639       2.149675  
1 1 1 9  33 3  o 49.27749 1.022499  24.27600       1.006921  23.22708       1.392020  25.42718       1.458294  -2.229343      2.044998  
1 1 1 9  33 4  f 99.80998 1.046400  99.78346       2.088785  99.94959       2.946479  99.61563       2.961555  0.1681290      2.092800  
1 1 1 9  33 5  o 20.30645 1.899014  4.104806       0.7666592 3.579866       1.027918  4.762890       1.150917  -2.898037      3.798029  
1 1 1 9  33 6  o 146.4386 1.674742  216.6243       4.625978  218.7818       5.683758  212.3905       7.961920  2.432663       3.349483  
1 1 1 9  33 7  f 39.73790 1.026041  15.82518       0.8149111 15.62811       1.129116  16.03943       1.177311  -0.5131073     2.052082  
1 1 1 9  33 8  o 50.24841 1.093125  25.60467       1.054010  24.36037       1.735264  26.33214       1.326815  -2.007492      2.186250  
1 1 1 9  33 9  o 15.90043 1.993000  2.600633       0.6194052 2.602532       0.9045592 2.598956       0.8499328 -0.2598963     3.986001  
1 1 1 9  33 10 o 109.4227 1.193075  119.7383       2.566287  124.0501       4.050375  116.8466       3.317044  3.167313       2.386151  
1 1 1 9  33 11 o 25.49257 1.357077  6.576393       0.6901385 6.078689       0.9805703 7.064932       0.9714993 -1.936697      2.714155  
1 1 1 9  33 12 o 62.16246 0.8693061 38.81155       1.079640  38.67934       1.492019  38.95687       1.564221  -0.2098389     1.738612  
1 1 1 9  33 13 o 30.28521 1.634197  9.337827       0.8469292 9.313034       0.9728789 9.415414       1.721054  0.1582718      3.268394  
1 1 1 9  33 14 o 37.13898 1.442405  14.27504       1.001251  14.68739       1.226995  13.45324       1.732192  1.901154       2.884811  
1 1 1 9  33 15 o 23.93100 1.681877  5.325188       0.7559185 4.314291       0.8992309 7.760395       1.395679  -6.867609      3.363754  
1 1 1 9  33 16 o 9.937633 2.658986  0.5840348      0.7383144 -0.6137646E-01 0.9129053 1.804408       1.255318  -5.157345      5.317972  
1 1 1 9  33 17 o 29.50879 1.484144  9.122510       0.8492323 9.097674       1.078044  9.163126       1.378642  0.2343712      2.968288  
1 1 1 9  33 18 o 10.29201 2.806229  1.153612       0.8174827 1.044792       1.195119  1.249295       1.120660  -0.4066772     5.612457  
1 1 1 9  34 0  o 196.8992 2.477240  387.2461       9.698940  366.4693       12.95423  413.7499       14.63109  0.000000       0.000000  
1 1 1 9  34 1  o 34.76685 1.236967  12.05274       0.8538351 11.63378       1.132472  12.60460       1.299747  -1.385529      2.473935  
1 1 1 9  34 2  o 76.12228 0.9671121 58.01669       1.471791  57.54129       2.049150  58.52325       2.115278  -0.6414413     1.934224  
1 1 1 9  34 3  o 61.39039 0.9662094 37.68237       1.185137  36.25278       1.632139  39.27679       1.723679  -2.457439      1.932419  
1 1 1 9  34 4  o 19.88844 2.013102  4.037360       0.7881497 4.367643       1.054589  3.619488       1.186208  1.897985       4.026203  
1 1 1 9  34 5  o 96.10072 1.138194  92.27421       2.139732  91.09132       2.744880  94.10639       3.416150  -1.514999      2.276388  
1 1 1 9  34 6  o 62.44297 0.9210606 39.08275       1.150061  39.49436       1.616450  38.66082       1.636601  0.6691246      1.842121  
1 1 1 9  34 7  o 22.66430 1.687608  5.046402       0.7387933 5.682764       1.244170  4.699808       0.9182010 2.112022       3.375216  
1 1 1 9  34 8  o 28.94779 1.217628  8.413390       0.7038590 9.076650       1.008915  7.784499       0.9824272 2.228334       2.435257  
1 1 1 9  34 9  o 89.38063 1.057924  80.14268       1.872498  80.78937       2.860920  79.65806       2.476671  0.5793533      2.115848  
1 1 1 9  34 10 o 10.41768 2.514502  0.9642301      0.6663945 1.553639       0.9355090 0.3570666      0.9494950 3.481208       5.029005  
1 1 1 9  34 11 o 42.84378 0.9744640 18.44738       0.8346407 17.75095       1.163629  19.18535       1.197835  -1.666878      1.948928  
1 1 1 9  34 12 o 29.94699 1.721938  9.301960       0.8977245 9.472466       1.045654  8.823977       1.750751  1.360386       3.443876  
1 1 1 9  34 13 o 41.60771 1.380259  17.29157       1.045015  16.89969       1.236706  18.27001       1.954147  -1.370861      2.760518  
1 1 1 9  34 14 o 18.26762 2.174782  3.467057       0.7423235 3.279273       0.9170192 3.824022       1.264336  -0.9123726     4.349564  
1 1 1 9  34 15 o 10.82531 2.637356  1.237787       0.7339600 1.686677       0.8854704 0.2522323      1.312031  2.952765       5.274712  
1 1 1 9  34 16 o 15.43287 2.635371  2.894719       0.8314556 3.471818       1.062745  1.984081       1.334987  4.945863       5.270742  
1 1 1 9  34 17 o 14.78354 2.625874  2.559536       0.7597594 2.199272       0.9618703 3.157182       1.238876  -2.466623      5.251749  
1 1 1 9  34 18 o 17.25803 3.315923  4.045167       1.162943  3.774694       1.526812  4.418916       1.794795  -0.9340191     6.631845  
1 1 1 9  35 0  o 10.52456 3.869874  1.646752       1.044981  1.623457       1.423872  1.673947       1.538419  0.000000       0.000000  
1 1 1 9  35 1  o 77.45586 1.054927  59.55119       1.606926  57.17405       2.072386  63.13543       2.544735  -3.815765      2.109854  
1 1 1 9  35 2  o 40.46244 1.201297  16.21726       0.9551966 15.41344       1.227717  17.45010       1.520453  -2.493748      2.402594  
1 1 1 9  35 3  o 62.88660 0.9293002 39.55959       1.167820  40.89778       1.694776  38.34973       1.611467  2.020596       1.858600  
1 1 1 9  35 4  o 104.7654 1.079815  110.0049       2.261975  112.2539       3.243735  107.8760       3.155904  2.081665       2.159629  
1 1 1 9  35 5  o 77.79254 0.9520000 60.43707       1.477961  57.29415       2.010803  64.13017       2.179703  -4.378502      1.904000  
1 1 1 9  35 6  o 70.91838 1.366944  50.24669       1.628801  51.16953       3.416914  49.97533       1.852863  0.6286545      2.733888  
1 1 1 9  35 7  o 23.58930 1.583667  5.395385       0.7321144 7.148682       1.165573  4.252926       0.9408758 6.099180       3.167334  
1 1 1 9  35 8  o 61.00468 0.8944970 37.31899       1.091157  38.37283       1.553412  36.29261       1.533048  1.702587       1.788994  
1 1 1 9  35 9  o 18.18590 1.700514  3.360445       0.6120667 2.758938       0.8491434 4.010930       0.8830373 -3.431833      3.401028  
1 1 1 9  35 10 o 55.00935 0.9815326 30.56325       1.074118  31.96541       1.467247  28.94405       1.576717  2.769112       1.963065  
1 1 1 9  35 11 o 35.28408 1.099974  12.53848       0.7749723 12.44260       1.064238  12.64672       1.130734  -0.2729797     2.199948  
1 1 1 9  35 12 o 36.76298 1.080513  13.57858       0.7909337 13.00044       1.061021  14.30164       1.186580  -1.730824      2.161026  
1 1 1 9  35 13 o 21.20023 1.984771  4.682248       0.8231598 4.727142       1.063680  4.615218       1.299726  0.4283676      3.969543  
1 1 1 9  35 14 o 35.65711 1.301981  13.04103       0.9117334 13.44995       1.193696  12.46845       1.412524  1.488235       2.603961  
1 1 1 9  35 15 o 10.06906 2.796074  0.8672168      0.8072835 0.8950060      1.019132  0.8204105      1.322646  -0.4457397     5.592148  
1 1 1 9  35 16 o 13.76924 2.569445  2.430852       0.7394273 2.910519       0.8993672 1.430276       1.298949  4.761513       5.138891  
1 1 1 9  35 17 o 9.790571 2.769108  0.1749199      0.8001190 -0.6077085     0.9359234 2.300075       1.542261  -6.793799      5.538215  
1 1 1 9  35 18 o 19.89737 2.242291  4.858079       0.8299977 5.803876       1.117160  3.692818       1.240018  5.930342       4.484582  
1 1 1 9  36 0  o 80.35085 1.384395  64.82968       2.221142  66.63893       3.140774  63.01952       3.141563  0.000000       0.000000  
1 1 1 9  36 1  o 38.59840 1.141104  14.96637       0.8794705 15.52696       1.225288  14.37065       1.263091  1.501396       2.282208  
1 1 1 9  36 2  o 46.16780 1.222629  21.50119       1.120000  22.38713       1.511415  20.42220       1.667972  2.144733       2.445259  
1 1 1 9  36 3  o 31.26323 1.402218  9.719838       0.8640391 10.42456       1.360566  9.243527       1.118549  1.856983       2.804435  
1 1 1 9  36 4  o 20.92860 1.842722  4.431070       0.7677913 4.319993       1.133211  4.525332       1.043919  -0.5069866     3.685444  
1 1 1 9  36 5  o 65.83565 0.9799152 43.53588       1.288208  41.42072       1.841575  45.56257       1.802652  -3.149605      1.959830  
1 1 1 9  36 6  o 70.40967 0.9157293 49.71051       1.289320  49.91303       1.809468  49.50163       1.837606  0.2950363      1.831459  
1 1 1 9  36 7  o 13.48425 2.453254  1.931129       0.6681786 1.713950       0.9525348 2.141523       0.9375381 -1.450592      4.906507  
1 1 1 9  36 8  o 52.16130 0.9877310 27.02310       1.011806  25.75854       1.299302  28.97152       1.612802  -3.025120      1.975462  
1 1 1 9  36 9  o 71.56289 0.9845691 51.37922       1.394211  50.71057       1.836957  52.28777       2.141264  -1.041611      1.969138  
1 1 1 9  36 10 o 13.46974 2.476172  1.953931       0.6741021 1.838804       0.9731669 2.060124       0.9346479 -0.7513981     4.952343  
1 1 1 9  36 11 f 7.126220 2.213717  -0.3064010     0.6235393 0.2113623      0.9118298 -0.7611958     0.8545864 2.045913       4.427434  
1 1 1 9  36 12 o 53.43587 1.001572  28.25597       1.049372  31.40198       1.690920  26.28541       1.338257  4.686611       2.003144  
1 1 1 9  36 13 o 19.86125 2.199494  4.138893       0.8672618 4.128819       1.159130  4.151705       1.307155  0.6015396E-01  4.398987  
1 1 1 9  36 14 o 10.08619 2.630062  0.9604853      0.7198441 1.309141       0.8870419 0.2880378      1.231898  1.828293       5.260124  
1 1 1 9  36 15 o 9.229323 2.642513  0.6050650      0.7679548 0.9505450      0.9314565 -0.1282216     1.357026  1.115498       5.285026  
1 1 1 9  36 16 o 20.39553 2.627600  4.948080       1.022549  5.182154       1.335542  4.616471       1.589621  2.301441       5.255201  
1 1 1 9  36 17 o 7.470344 2.495469  -0.8814116     0.9022456 -1.085792      1.099472  -0.4599853     1.578793  -2.116218      4.990938  
1 1 1 9  37 0  o 115.6686 2.049623  136.1497       4.444491  130.9368       7.676404  138.7783       5.451081  0.000000       0.000000  
1 1 1 9  37 1  o 39.89766 1.209932  16.03303       0.9623363 15.15421       1.392561  16.83635       1.331397  -2.115479      2.419865  
1 1 1 9  37 2  o 77.09589 1.003971  59.80515       1.538666  57.67682       2.282361  61.57833       2.083249  -2.550789      2.007941  
1 1 1 9  37 3  o 123.3131 1.199683  152.6582       2.957908  150.5595       4.124856  154.8799       4.243912  -1.736778      2.399366  
1 1 1 9  37 4  o 35.91108 1.195128  13.00929       0.8469212 12.57935       1.296797  13.32905       1.118368  -1.066463      2.390256  
1 1 1 9  37 5  o 13.42672 2.542999  1.926913       0.7334167 2.654604       1.000576  1.081964       1.078182  4.880949       5.085998  
1 1 1 9  37 6  o 26.67821 1.497196  7.181628       0.7942979 7.223103       1.069652  7.130645       1.185941  0.1962223      2.994391  
1 1 1 9  37 7  o 32.11224 1.156839  10.31910       0.7400454 11.07409       1.108281  9.711596       0.9941596 2.097895       2.313677  
1 1 1 9  37 8  o 78.63914 0.9485604 62.15859       1.491643  62.77231       2.097713  61.53087       2.121491  0.7937546      1.897121  
1 1 1 9  37 9  o 36.45857 1.078539  13.38469       0.7864118 13.33666       1.115645  13.43213       1.108696  -0.1325111     2.157079  
1 1 1 9  37 10 o 15.73923 2.509173  2.729247       0.7791557 3.160751       1.011922  2.100901       1.221109  3.583209       5.018346  
1 1 1 9  37 11 o 26.65984 1.541984  7.219853       0.8146858 7.422206       1.245765  7.068648       1.076878  0.5887032      3.083968  
1 1 1 9  37 12 f 26.01938 1.508203  6.729179       0.7723631 8.191347       1.232571  5.783841       0.9910748 4.488462       3.016406  
1 1 1 9  37 13 o 18.03023 2.309486  3.530886       0.7831460 3.649564       0.9927483 3.335342       1.274310  1.442127       4.618972  
1 1 1 9  37 14 o 24.74091 1.693694  6.262937       0.8062139 5.840473       0.9978080 7.057384       1.368312  -2.067503      3.387388  
1 1 1 9  37 15 o 23.93110 1.876277  6.167531       0.8859613 6.160508       1.364430  6.172650       1.164958  -0.3131485     3.752554  
1 1 1 9  37 16 o 21.08459 2.092049  4.928252       0.8286418 4.872241       1.014513  5.040514       1.436275  0.4101009      4.184099  
1 1 1 9  37 17 o 21.41240 2.582272  5.710478       0.9947270 5.726579       1.211926  5.677236       1.741342  2.158020       5.164544  
1 1 1 9  38 0  o 8.658680 3.470388  0.8616594      0.9960390 -0.2601490E-01 1.454345  1.645842       1.366939  0.000000       0.000000  
1 1 1 9  38 1  o 42.09659 1.049727  17.80601       0.8809133 18.12461       1.204455  17.43957       1.291717  0.8234673      2.099455  
1 1 1 9  38 2  o 57.95320 1.194587  33.35942       1.268908  34.67856       2.337635  32.80836       1.510873  1.505783       2.389174  
1 1 1 9  38 3  f 43.23793 1.152340  18.62363       0.9845396 19.75890       1.533028  17.82669       1.284426  2.199760       2.304680  
1 1 1 9  38 4  o 17.95828 2.302721  3.639576       0.7614539 2.281142       1.194753  4.568806       0.9881443 -6.623026      4.605442  
1 1 1 9  38 5  o 48.37262 1.042734  23.24937       0.9853607 24.65406       1.592637  22.37820       1.254231  2.302132       2.085469  
1 1 1 9  38 6  o 37.36776 1.185776  14.12872       0.8785297 13.53203       1.316199  14.60816       1.179817  -1.469429      2.371551  
1 1 1 9  38 7  f 44.75619 1.073796  20.04238       0.9509654 20.95528       1.468772  19.38347       1.247818  1.708698       2.147592  
1 1 1 9  38 8  o 38.21097 1.211497  14.66838       0.9094645 15.04561       1.434740  14.41499       1.175892  0.7593498      2.422995  
1 1 1 9  38 9  o 53.69798 1.149827  29.09131       1.231801  29.15290       1.684906  29.02060       1.805389  0.1555443      2.299654  
1 1 1 9  38 10 o 31.16797 1.318461  9.848097       0.8216775 9.562799       1.149918  10.14574       1.174527  -0.9257965     2.636923  
1 1 1 9  38 11 o 30.61494 1.295661  9.525572       0.7929007 9.605227       1.106103  9.441374       1.137206  0.2812214      2.591322  
1 1 1 9  38 12 o 44.61954 1.002816  20.11502       0.8943285 19.65251       1.238099  20.61966       1.293245  -1.061886      2.005632  
1 1 1 9  38 13 o 23.48281 1.622634  5.743817       0.7618678 5.726263       1.064394  5.762259       1.090986  -0.5249786E-01 3.245267  
1 1 1 9  38 14 o 16.50523 2.545450  3.368854       0.7813826 3.817464       0.9428893 2.385296       1.396132  4.982870       5.090901  
1 1 1 9  38 15 o 15.77741 2.578438  3.215842       0.8295105 4.020227       1.048871  1.872565       1.355417  6.840950       5.156875  
1 1 1 9  38 16 o 7.696774 2.569140  -1.023177      0.9553778 -1.508751      1.172034  -0.6160188E-01 1.649317  -2.908785      5.138281  
1 1 1 9  39 0  o 82.88858 1.674271  69.33130       2.627851  69.56371       3.243343  68.88716       4.483522  0.000000       0.000000  
1 1 1 9  39 1  o 52.90548 0.9578887 27.98941       1.011725  29.74216       1.485871  26.47441       1.381421  3.075256       1.915777  
1 1 1 9  39 2  o 17.32167 2.172510  3.219314       0.7142890 2.404140       1.063342  3.889609       0.9642297 -4.579957      4.345020  
1 1 1 9  39 3  o 37.96436 1.060829  14.48112       0.8052738 14.58977       1.128875  14.36856       1.149051  0.2944145      2.121658  
1 1 1 9  39 4  o 66.50949 0.9296491 44.41529       1.236243  44.04960       1.724489  44.80190       1.773149  -0.5576096     1.859298  
1 1 1 9  39 5  o 49.34499 0.9468467 24.44208       0.9335181 24.03616       1.287513  24.89200       1.355497  -0.8554344     1.893693  
1 1 1 9  39 6  o 66.16635 0.9333460 44.00860       1.235004  44.76603       1.748379  43.25432       1.744744  1.141647       1.866692  
1 1 1 9  39 7  o 48.09010 0.9811685 23.25322       0.9410135 23.18043       1.282515  23.33810       1.384971  -0.1427765     1.962337  
1 1 1 9  39 8  o 87.70044 1.118373  77.82693       1.918215  78.93711       2.477041  76.16376       3.031797  1.724220       2.236746  
1 1 1 9  39 9  f 21.44468 1.771893  4.732109       0.7569355 5.112541       1.058294  4.333652       1.083073  1.828560       3.543785  
1 1 1 9  39 10 o 11.48532 2.656754  1.381022       0.7132502 0.9788800      1.126471  1.650132       0.9214991 -1.734634      5.313509  
1 1 1 9  39 11 o 30.02635 1.339460  8.927480       0.7931929 11.03382       1.247638  7.498595       1.027598  5.780378       2.678920  
1 1 1 9  39 12 o 32.41082 1.284638  10.97386       0.8103200 8.521651       1.184548  13.13071       1.110923  -7.148699      2.569276  
1 1 1 9  39 13 f 8.887371 2.469158  0.2479568      0.7232125 1.405229       1.061719  -0.7538375     0.9878277 4.725152       4.938316  
1 1 1 9  39 14 o 17.61206 2.412444  4.441907       0.8388053 6.252614       1.042328  1.114248       1.413024  13.57301       4.824888  
1 1 1 9  39 15 o 34.11940 1.929659  13.21514       1.200858  14.04858       1.466895  11.52173       2.090963  4.786768       3.859319  
1 1 1 9  39 16 o 16.03423 3.120004  3.474602       1.008231  2.968847       1.272675  4.326953       1.652177  -2.545712      6.240009  
1 1 1 9  40 0  o 49.79033 1.370341  25.01748       1.360001  24.84913       1.909475  25.19081       1.937496  0.000000       0.000000  
1 1 1 9  40 1  o 30.81856 1.412484  9.664037       0.8450611 9.898794       1.080546  9.294322       1.356020  1.050219       2.824967  
1 1 1 9  40 2  o 26.73834 1.394953  7.266699       0.7410976 6.498771       1.067363  7.981510       1.029787  -2.782249      2.789907  
1 1 1 9  40 3  f 22.64162 1.712055  5.172047       0.7714007 4.901523       1.030897  5.516243       1.162830  -1.316147      3.424109  
1 1 1 9  40 4  o 70.80642 1.008245  50.40915       1.412555  50.32809       1.865847  50.51799       2.162029  -0.7469177E-01 2.016490  
1 1 1 9  40 5  o 71.68652 1.008384  51.56954       1.432123  50.72575       1.892457  52.70034       2.190794  -1.312515      2.016767  
1 1 1 9  40 6  o 39.67940 1.108397  15.91547       0.8690919 16.23258       1.150502  15.49403       1.326328  0.9720840      2.216795  
1 1 1 9  40 7  o 54.55057 1.653244  29.50002       1.306543  29.14410       1.418735  31.48712       3.352259  -1.442108      3.306488  
1 1 1 9  40 8  o 29.99542 1.285726  9.087590       0.7700493 8.505099       1.055259  9.751068       1.126231  -2.050861      2.571452  
1 1 1 9  40 9  o 25.70575 1.539722  6.498380       0.7703245 7.772523       1.280561  5.775855       0.9643119 3.742569       3.079444  
1 1 1 9  40 10 o 23.12642 1.674569  5.596536       0.7601268 4.763734       1.128208  6.288831       1.028641  -3.356979      3.349138  
1 1 1 9  40 11 o 42.82153 1.210402  18.73317       1.030186  17.26239       1.502137  20.03923       1.415524  -3.282104      2.420803  
1 1 1 9  40 12 o 23.24862 1.697707  5.700500       0.7842361 5.315649       1.148945  6.036213       1.073091  -1.627232      3.395414  
1 1 1 9  40 13 o 19.62609 2.213012  4.142476       0.8374454 3.365190       1.089145  5.266618       1.309803  -4.763773      4.426024  
1 1 1 9  40 14 o 22.21237 2.089763  5.517857       0.8874425 5.617656       1.115836  5.346072       1.463957  1.260479       4.179526  
1 1 1 9  40 15 o 9.248246 2.837742  0.4036552      0.9501734 0.2467451      1.215233  0.6504715      1.524126  -1.302721      5.675484  
1 1 1 9  41 0  o 16.94901 3.335920  3.517854       0.9874933 2.761292       1.335459  4.430572       1.466819  0.000000       0.000000  
1 1 1 9  41 1  o 31.96329 1.446187  10.39833       0.9047401 10.63360       1.173016  10.05284       1.421476  0.9822807      2.892375  
1 1 1 9  41 2  o 40.62929 1.038120  16.58854       0.8428743 17.44113       1.219844  15.80957       1.165987  1.995869       2.076241  
1 1 1 9  41 3  o 69.90105 0.9347874 49.05952       1.306032  47.24736       1.809469  51.03026       1.886985  -2.690361      1.869575  
1 1 1 9  41 4  o 12.04898 2.503378  1.429970       0.6775897 0.7477011      0.9103256 2.277584       1.014654  -4.988373      5.006755  
1 1 1 9  41 5  o 37.79572 1.135084  14.39524       0.8578035 14.13865       1.196522  14.66657       1.230423  -0.6897926     2.270169  
1 1 1 9  41 6  o 29.18606 1.726459  8.504624       0.8906736 8.291761       1.034678  9.113669       1.750172  -1.108482      3.452917  
1 1 1 9  41 7  o 47.11382 1.014656  22.33487       0.9549905 23.78741       1.385928  21.02169       1.317769  2.915237       2.029313  
1 1 1 9  41 8  o 30.47312 1.339662  9.383151       0.8144926 9.994296       1.204290  8.867933       1.105743  1.809891       2.679325  
1 1 1 9  41 9  o 20.35947 1.923033  4.386252       0.7650746 3.794046       1.159234  4.843271       1.018360  -2.675274      3.846065  
1 1 1 9  41 10 o 47.40222 1.002199  22.72163       0.9501042 22.80399       1.340418  22.63846       1.346906  0.1771622      2.004397  
1 1 1 9  41 11 o 46.63089 1.087427  22.18467       1.013162  22.75889       1.414635  21.57993       1.451742  1.287502       2.174855  
1 1 1 9  41 12 o 37.68854 1.254234  14.65588       0.9432041 15.27616       1.310085  13.98837       1.359046  1.749371       2.508469  
1 1 1 9  41 13 o 28.40495 1.746489  8.927745       0.9428521 10.00745       1.216036  7.300302       1.492957  5.135340       3.492979  
1 1 1 9  41 14 o 14.71614 3.078727  2.727797       0.9466395 2.281135       1.191256  3.493176       1.559386  -2.722796      6.157454  
1 1 1 9  41 15 o 11.55505 3.236519  1.825926       1.105465  1.667145       1.497858  2.015875       1.638291  -0.6761217     6.473039  
1 1 1 9  42 0  o 59.67263 1.383451  35.96700       1.643918  36.66286       2.268439  35.19733       2.385694  0.000000       0.000000  
1 1 1 9  42 1  o 34.52122 1.205867  12.02627       0.8298793 10.80017       1.160909  13.30760       1.186771  -3.625092      2.411734  
1 1 1 9  42 2  o 26.77775 1.410999  7.225781       0.7537504 7.963771       1.105830  6.585385       1.030121  2.550528       2.821999  
1 1 1 9  42 3  o 28.06141 1.525523  8.054040       0.8490383 8.728768       1.163357  7.285086       1.241935  2.599251       3.051045  
1 1 1 9  42 4  o 26.61872 1.534294  7.209584       0.7939973 7.245481       1.012559  7.152267       1.279460  0.2727451      3.068588  
1 1 1 9  42 5  o 17.09018 2.199061  3.187430       0.7155713 4.102628       0.9900386 2.186392       1.035428  5.857652       4.398121  
1 1 1 9  42 6  o 14.17498 2.538424  2.199228       0.7252266 1.854637       1.033251  2.533831       1.018166  -2.209547      5.076848  
1 1 1 9  42 7  o 45.71055 1.499594  20.41344       1.152888  22.96816       2.466905  19.69955       1.304059  3.062973       2.999188  
1 1 1 9  42 8  o 35.78208 1.185926  12.98925       0.8483430 12.93361       1.181686  13.04842       1.218643  -0.1443062     2.371851  
1 1 1 9  42 9  o 21.74504 1.650538  4.884104       0.7120128 5.667948       1.019174  4.136803       0.9951329 3.504959       3.301075  
1 1 1 9  42 10 o 10.74170 2.696632  1.182410       0.7278420 1.322699       1.065579  1.059712       0.9965346 0.8351450      5.393264  
1 1 1 9  42 11 o 25.55510 1.575239  6.951803       0.7867473 5.413786       1.126121  8.418257       1.099610  -5.906212      3.150478  
1 1 1 9  42 12 o 16.05369 2.868583  3.050705       0.8929045 2.778393       1.111304  3.546704       1.499825  -1.495369      5.737166  
1 1 1 9  42 13 o 24.92698 2.327579  7.100640       1.064886  7.141841       1.287020  7.011210       1.896142  1.531509       4.655158  
1 1 1 9  42 14 o 28.99550 2.186977  9.742167       1.237800  10.67356       1.651011  8.546686       1.870488  4.164076       4.373953  
1 1 1 9  43 0  o 47.74863 1.833683  22.69390       1.575035  21.95251       1.854266  24.61460       2.984543  0.000000       0.000000  
1 1 1 9  43 1  o 17.03470 2.603026  3.149046       0.8602450 3.213681       1.195783  3.079713       1.238481  0.4234180      5.206052  
1 1 1 9  43 2  o 45.52850 1.150103  21.08629       1.036392  19.66464       1.549844  22.23623       1.393887  -2.870884      2.300206  
1 1 1 9  43 3  o 89.14214 1.219145  80.23495       2.169999  77.65420       2.968489  83.19678       3.180114  -3.036407      2.438290  
1 1 1 9  43 4  o 26.12008 1.689221  7.103006       0.8616481 6.296446       1.323161  7.696887       1.135387  -2.770828      3.378442  
1 1 1 9  43 5  o 59.94887 1.026771  36.47914       1.218724  34.31900       1.825734  38.21529       1.636778  -3.304352      2.053542  
1 1 1 9  43 6  o 21.32937 1.881081  4.793433       0.7801667 4.258276       1.212160  5.171891       1.019362  -2.264584      3.762162  
1 1 1 9  43 7  o 18.00320 2.016700  3.361139       0.7240736 3.559539       1.074486  3.196094       0.9800123 0.9408531      4.033400  
1 1 1 9  43 8  o 33.07705 1.235412  11.12261       0.8170764 11.37518       1.171244  10.88316       1.140414  0.7286835      2.470824  
1 1 1 9  43 9  o 10.69601 2.472585  0.9533247      0.7344522 2.227328       1.030684  -0.3609520     1.046849  6.583895       4.945171  
1 1 1 9  43 10 o 18.45189 2.162074  3.761709       0.7743626 3.316218       1.100390  4.198757       1.089913  -2.678848      4.324148  
1 1 1 9  43 11 o 32.87840 1.505267  11.32356       0.9706480 11.29391       1.256790  11.36740       1.528026  0.1938362      3.010535  
1 1 1 9  43 12 o 22.96240 2.946446  6.944419       1.118673  7.502956       1.310151  5.441474       2.149149  6.796101       5.892892  
1 1 1 9  43 13 o 17.58138 3.228626  4.105497       1.140523  3.939084       1.528953  4.314261       1.712492  -0.4882030     6.457253  
1 1 1 9  43 14 o 11.57651 3.390194  1.832059       1.277791  1.543292       2.110633  1.999133       1.605433  -0.5961237     6.780388  
1 1 1 9  44 0  o 77.59990 1.412449  60.66699       2.184119  58.60411       2.973601  63.08370       3.218542  0.000000       0.000000  
1 1 1 9  44 1  f 30.73461 1.528028  9.514238       0.9013318 9.241414       1.119443  10.01711       1.519809  -1.088104      3.056056  
1 1 1 9  44 2  o 50.28162 1.039623  25.44624       1.044276  24.32165       1.435711  26.70957       1.521697  -2.349190      2.079247  
1 1 1 9  44 3  o 28.42262 1.492417  8.232522       0.8456089 8.115283       1.241751  8.333906       1.154729  -0.4217701     2.984834  
1 1 1 9  44 4  o 31.26645 1.393021  9.932139       0.8583095 10.07410       1.336429  9.832472       1.119774  0.2872143      2.786043  
1 1 1 9  44 5  o 37.38342 1.148898  14.14409       0.8576285 14.63856       1.256095  13.71227       1.173820  1.203342       2.297796  
1 1 1 9  44 6  o 39.76485 1.184124  16.05890       0.9404161 16.31023       1.302379  15.78510       1.359348  0.6854820      2.368247  
1 1 1 9  44 7  o 42.60283 1.079040  18.37127       0.9190084 17.63011       1.286678  19.14315       1.313072  -1.764851      2.158080  
1 1 1 9  44 8  o 17.07365 2.360382  3.247944       0.7773857 2.919760       1.079804  3.601066       1.120080  -1.949305      4.720765  
1 1 1 9  44 9  o 48.94724 1.149110  24.55512       1.109020  24.55349       1.716839  24.55629       1.452803  -0.2044792     2.298219  
1 1 1 9  44 10 o 8.201054 2.674720  -0.4796138     0.9538314 -0.1566217     1.111504  -1.381990      1.857843  -0.7397270     5.349441  
1 1 1 9  44 11 o 19.66945 2.906885  5.121374       1.097337  6.246667       1.397006  3.308585       1.773124  8.208401       5.813770  
1 1 1 9  44 12 o 12.96409 3.264352  2.219496       1.113895  1.395498       1.635162  2.932958       1.521538  -3.390018      6.528704  
1 1 1 9  44 13 o 10.07120 3.000954  0.5904459      1.086769  -0.6129460     1.419417  2.295286       1.689461  -4.750766      6.001909  
1 1 1 9  45 0  o 74.55112 1.432036  56.19465       2.130120  59.08527       3.075858  53.53070       2.952797  0.000000       0.000000  
1 1 1 9  45 1  o 79.64381 1.008584  64.02103       1.605300  65.95165       2.326937  62.26775       2.217489  2.272514       2.017168  
1 1 1 9  45 2  o 14.27183 2.964232  1.810923       0.8705477 3.726776       1.639928  1.059213       1.027233  7.456705       5.928464  
1 1 1 9  45 3  o 35.40607 1.528314  12.40185       1.015648  14.11777       1.823476  11.63009       1.222903  3.177784       3.056628  
1 1 1 9  45 4  o 28.27349 1.603925  8.123063       0.8875778 8.615950       1.425447  7.810956       1.134303  1.252310       3.207850  
1 1 1 9  45 5  o 8.021952 2.376960  0.1646108      0.6497386 0.4580415      0.9193766 -0.1281728     0.9183624 1.277787       4.753919  
1 1 1 9  45 6  o 26.60634 1.485582  7.267433       0.7838351 6.112804       1.092490  8.492358       1.125256  -4.452454      2.971164  
1 1 1 9  45 7  o 23.15830 1.930728  5.570734       0.8761399 6.310102       1.416727  5.112843       1.114904  2.244030       3.861455  
1 1 1 9  45 8  o 24.22483 1.840996  6.241877       0.8722993 6.283582       1.383712  6.214374       1.123711  -0.1794071     3.681993  
1 1 1 9  45 9  o 9.890900 2.968211  0.5315325      1.022941  0.3957462      1.443415  0.6685457      1.449922  -0.4789505     5.936422  
1 1 1 9  45 10 o 13.82500 3.306122  2.420120       1.012004  2.447315       1.156268  2.331079       2.092208  0.6124430      6.612243  
1 1 1 9  45 11 o 13.07179 3.223628  2.303284       1.067369  2.688832       1.299374  1.503339       1.871650  2.696556       6.447256  
1 1 1 9  45 12 o 8.885458 2.761035  -0.2756688E-01 1.022428  1.233168       1.430047  -1.345916      1.462357  3.361978       5.522071  
1 1 1 9  46 0  o 57.28331 1.660189  32.97249       1.801849  31.90815       2.212238  35.07014       3.105697  0.000000       0.000000  
1 1 1 9  46 1  o 46.42908 1.051934  21.81849       0.9767244 21.42749       1.374127  22.21776       1.388580  -0.8450966     2.103867  
1 1 1 9  46 2  o 23.62720 2.069535  6.077968       0.9116056 6.602180       1.137306  5.135936       1.524603  3.413414       4.139070  
1 1 1 9  46 3  o 44.92834 1.139136  20.41687       1.019056  21.06415       1.523882  19.89325       1.370601  1.235065       2.278272  
1 1 1 9  46 4  o 38.04810 1.149777  14.68007       0.8746488 15.15538       1.254903  14.23103       1.219727  1.198803       2.299553  
1 1 1 9  46 5  o 28.54948 1.451858  8.372213       0.8270342 9.015172       1.221138  7.827394       1.124087  2.004816       2.903715  
1 1 1 9  46 6  o 21.96482 1.831192  5.103302       0.8043374 4.999224       1.128865  5.210629       1.146346  -0.4616585     3.662383  
1 1 1 9  46 7  o 10.06503 2.705419  0.9637175      0.7555391 1.144191       1.062279  0.7789578      1.074819  0.9044256      5.410839  
1 1 1 9  46 8  o 10.09445 3.018670  0.6288775      0.8952121 0.5601142      1.007844  0.8859730      1.948779  -2.425584      6.037340  
1 1 1 9  46 9  o 30.09402 2.254485  10.74593       1.058900  11.26304       1.200253  8.930215       2.249073  5.652130       4.508970  
1 1 1 9  46 10 o 11.68290 3.149804  1.479544       1.255793  2.721457       1.436647  -2.542575      2.585424  5.298837       6.299608  
1 1 1 9  46 11 o 13.49761 3.840224  2.653868       1.588815  2.452255       2.202579  2.872575       2.294060  -0.6528797     7.680449  
1 1 1 9  47 0  o 9.522461 3.689523  1.420391       1.012156  1.714493       1.378247  1.076094       1.491230  0.000000       0.000000  
1 1 1 9  47 1  o 7.577482 2.368018  -0.5470885     0.7579890 0.4575202      1.083646  -1.509494      1.060640  3.071643       4.736035  
1 1 1 9  47 2  o 14.48605 2.831482  2.515919       0.8585411 2.897721       1.072548  1.834946       1.432396  3.203700       5.662965  
1 1 1 9  47 3  o 22.14067 1.848596  5.176349       0.8161316 5.184882       1.113597  5.166447       1.199561  0.1333275      3.697192  
1 1 1 9  47 4  o 19.94137 2.032959  4.268878       0.8079064 4.399078       1.109578  4.121963       1.178653  0.7802505      4.065917  
1 1 1 9  47 5  o 8.291844 2.495309  0.2288742      0.7267572 0.1164203      1.028534  0.3410034      1.027048  -0.4438190     4.990617  
1 1 1 9  47 6  o 20.28119 3.129360  5.722527       0.9808743 6.125076       1.071808  3.647616       2.433364  7.829391       6.258719  
1 1 1 9  47 7  o 14.06554 3.401114  2.093092       0.9138270 1.840864       0.9946470 3.458668       2.314357  -3.209916      6.802227  
1 1 1 9  47 8  o 18.14201 2.816545  3.877608       0.9191827 3.725648       1.077960  4.282494       1.759566  0.4154701      5.633090  
1 1 1 9  47 9  o 17.89342 3.754103  4.650504       1.438370  4.708928       1.940979  4.579338       2.142199  0.7700920      7.508205  
1 1 1 9  47 10 o 30.91521 2.306206  10.77619       1.409270  12.75863       2.207090  9.411572       1.831159  4.531858       4.612412  
1 1 1 9  47 11 o 9.634129 3.031860  0.3899105      1.260386  -1.252555      2.018897  1.438880       1.613420  -2.443465      6.063720  
1 1 1 9  48 0  o 15.86580 3.839789  3.536670       1.090427  3.539839       1.497671  3.533095       1.590726  0.000000       0.000000  
1 1 1 9  48 1  o 30.65996 1.442028  9.777222       0.8822815 10.39520       1.239469  9.142488       1.256168  2.058527       2.884056  
1 1 1 9  48 2  o 26.09163 1.628487  7.151316       0.8497837 7.167293       1.199240  7.135204       1.204328  0.6706619E-01  3.256975  
1 1 1 9  48 3  o 11.29309 2.593011  1.194696       0.7738820 0.2704004E-01  1.064760  2.502241       1.126737  -6.536959      5.186022  
1 1 1 9  48 4  o 7.547928 2.410929  -0.3069794     0.7555854 -0.3405999     0.9661376 -0.2540316     1.212442  -0.9977627     4.821859  
1 1 1 9  48 5  o 26.33651 2.357952  8.400876       0.9809797 9.074085       1.142059  6.506472       1.915797  6.405649       4.715905  
1 1 1 9  48 6  o 9.949859 2.998389  0.5561804      0.9134336 0.4417972      1.043159  0.9321836      1.891321  -2.528870      5.996777  
1 1 1 9  48 7  o 12.79075 3.487896  2.055920       1.283947  2.588286       1.792441  1.494900       1.840045  2.029336       6.975791  
1 1 1 9  48 8  o 13.62641 3.530236  2.087864       1.266127  4.356883       2.158795  0.8981238      1.563214  6.545157       7.060473  
1 1 1 9  48 9  o 22.20794 3.183258  6.200205       1.337132  8.024664       2.191543  5.118264       1.687660  4.833725       6.366517  
1 1 1 9  48 10 o 8.892986 4.331372  0.000000       0.000000  ?              ?         -1.691233      2.475948  ?              ?         
1 1 1 9  49 0  f 8.538350 3.736742  0.9191677      1.266614  1.394880       1.524206  -0.1424521     2.276963  0.000000       0.000000  
1 1 1 9  49 1  o 13.40335 2.795473  2.131170       0.8387322 1.369649       1.190151  2.882528       1.182182  -4.377146      5.590946  
1 1 1 9  49 2  o 12.23493 2.898139  1.668117       0.9145179 2.679410       1.277084  0.6036986      1.310199  5.105188       5.796277  
1 1 1 9  49 3  o 19.02748 2.910775  4.787312       1.092390  6.018840       1.391456  2.808939       1.763606  8.785977       5.821550  
1 1 1 9  49 4  o 21.86602 2.837743  5.583016       1.140103  5.364568       1.389956  6.032196       1.993137  0.2034359      5.675486  
1 1 1 9  49 5  o 23.16202 2.995648  6.825443       1.239486  7.243524       1.512482  5.970485       2.162880  4.748272       5.991297  
1 1 1 9  49 6  o 10.84967 3.331856  0.5836983      1.396861  -0.6153128     1.949713  1.848204       2.002255  -3.199948      6.663712  
1 1 1 9  49 7  o 18.03736 3.528594  4.476039       1.335279  5.943439       2.034985  3.366575       1.769471  5.395398       7.057187  
1 1 1 9  49 8  o 9.283179 3.091429  -0.9923936     1.498582  -2.489135      2.036840  0.7739519      2.212694  -2.988049      6.182857  
1 1 1 9  49 9  o 12.63944 5.235129  2.519132       2.162436  2.519132       2.162436  ?              ?         ?              ?         
1 1 1 9  50 0  o 22.88726 5.210728  8.013579       2.109823  7.584012       3.118745  8.376059       2.864875  0.000000       0.000000  
1 1 1 9  50 1  o 18.25030 3.001785  4.122264       1.045290  4.007761       1.310587  4.322439       1.732846  0.2033844      6.003570  
1 1 1 9  50 2  o 28.82485 2.289396  9.475535       1.285913  11.77603       1.830881  7.235962       1.806476  7.826660       4.578791  
1 1 1 9  50 3  o 14.34290 3.416573  2.600956       1.163169  1.772981       1.490731  3.889575       1.859743  -4.564569      6.833146  
1 1 1 9  50 4  o 21.35420 4.094710  6.477324       1.654749  5.971154       1.929756  7.883333       3.216238  0.2531052E-01  8.189420  
1 1 1 9  50 5  o 15.93154 4.158172  3.851109       1.701776  2.876621       2.118840  5.622216       2.856489  -3.872015      8.316344  
1 1 1 9  50 6  o 11.36240 3.526094  1.033407       1.561870  1.533322       2.018392  0.2872863      2.465824  0.9706097      7.052188  
1 1 1 9  50 7  o 14.33628 3.874091  3.546352       1.618462  4.598797       2.240260  2.397376       2.340746  3.723737       7.748183  
1 1 1 9  51 0  o 10.00077 6.196905  1.782012       2.400347  1.782012       2.400347  1.782012       2.400347  0.000000       0.000000  
1 1 1 9  51 1  o 9.154612 3.092539  -1.435658      1.615528  -2.054027      2.334694  -0.8675567     2.237789  -0.6864071     6.185078  
1 1 1 9  51 2  o 12.13889 5.240556  0.000000       0.000000  ?              ?         1.617945       2.323187  ?              ?         
1 1 1 9  51 3  o 23.00047 5.357622  0.000000       0.000000  ?              ?         7.558907       2.420998  ?              ?         
1 1 1 9  51 4  o 10.29483 4.852745  0.000000       0.000000  ?              ?         -0.6252677     2.627964  ?              ?         
1 1 1 9  51 5  o 15.54592 6.068039  0.000000       0.000000  ?              ?         4.654721       2.725961  ?              ?         
1 1 1 9  51 6  o 12.81778 5.451490  0.000000       0.000000  ?              ?         2.720282       2.447431  ?              ?         
1 1 1 9  52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9  52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9  52 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9  52 3  o 9.544593 4.478072  0.000000       0.000000  ?              ?         -0.1436210     2.177541  ?              ?         
1 1 1 9  52 4  o 10.79511 5.017211  0.000000       0.000000  ?              ?         0.7349930      2.613118  ?              ?         
1 1 1 10 0  0  o 382.6771 6.503999  1469.250       49.70477  1487.754       71.16023  1451.620       69.45704  0.000000       0.000000  
1 1 1 10 0  1  o 175.4793 2.602637  307.4290       8.559487  311.6252       15.01955  305.4108       10.41654  0.000000       0.000000  
1 1 1 10 0  2  o 20.50982 1.191638  4.249209       0.4853648 4.249209       0.4853648 4.249209       0.4853648 0.000000       0.000000  
1 1 1 10 0  3  o 520.8322 6.255169  2721.877       65.11377  2734.209       92.52942  2709.778       91.64648  0.000000       0.000000  
1 1 1 10 0  4  o 542.3441 9.244404  2958.679       100.0887  2901.891       138.8029  3020.190       144.4600  0.000000       0.000000  
1 1 1 10 0  5  o 276.4305 4.716956  763.7384       25.97693  799.9861       38.44245  733.2785       35.23996  0.000000       0.000000  
1 1 1 10 0  6  o 1123.407 19.33872  12834.31       433.7237  13086.97       625.2040  12599.90       602.1987  0.000000       0.000000  
1 1 1 10 0  7  o 504.1713 8.592864  2555.438       86.50040  2600.091       124.4317  2513.679       120.3314  0.000000       0.000000  
1 1 1 10 0  8  o 30.07038 1.247345  9.089355       0.7473705 9.089355       0.7473705 9.089355       0.7473705 0.000000       0.000000  
1 1 1 10 0  9  o 151.1358 2.662483  228.6992       8.027264  235.4626       11.70026  222.6845       11.03358  0.000000       0.000000  
1 1 1 10 0  10 o 112.3162 1.788854  127.9725       3.781707  121.6395       6.468343  131.2613       4.661368  0.000000       0.000000  
1 1 1 10 0  11 o 156.6667 2.368355  250.3066       7.151056  228.9080       11.48680  263.8481       9.137754  0.000000       0.000000  
1 1 1 10 0  12 o 17.64877 3.244002  5.086402       0.6456303 2.168514       1.972903  5.436362       0.6832514 0.000000       0.000000  
1 1 1 10 0  13 o 204.1072 2.923131  413.9998       10.09995  426.6327       20.99435  410.1956       11.52072  0.000000       0.000000  
1 1 1 10 0  14 o 8.835128 3.232443  1.164280       0.7122663 -1.552131      2.445159  1.416149       0.7445556 0.000000       0.000000  
1 1 1 10 0  15 o 32.80664 2.162801  8.374922       0.8990099 14.99180       2.958841  7.701938       0.9436209 0.000000       0.000000  
1 1 1 10 0  16 o 10.97723 4.098698  1.171839       0.7497555 2.834130       2.510910  1.009118       0.7855954 0.000000       0.000000  
1 1 1 10 0  17 o 18.98429 3.881815  3.469579       0.7932176 5.503328       2.744838  3.284259       0.8285697 0.000000       0.000000  
1 1 1 10 0  18 o 20.29076 3.911772  4.244532       0.7774825 5.893451       2.863935  4.113341       0.8078194 0.000000       0.000000  
1 1 1 10 0  19 o 124.4309 2.159202  158.0427       4.906609  155.2905       8.930746  159.2326       5.872273  0.000000       0.000000  
1 1 1 10 0  20 o 104.9529 1.894943  109.5473       3.064994  115.8519       7.249987  108.1753       3.382091  0.000000       0.000000  
1 1 1 10 0  21 o 52.13742 2.406578  29.50155       1.370239  26.94316       4.544347  29.75742       1.437126  0.000000       0.000000  
1 1 1 10 0  22 o 15.03710 3.642138  3.848710       0.8806089 1.477085       3.260460  4.035327       0.9145991 0.000000       0.000000  
1 1 1 10 0  23 o 5.343487 2.742365  -1.157323      0.9702595 -3.272654      2.649740  -0.8297783     1.042676  0.000000       0.000000  
1 1 1 10 0  24 o 12.10701 4.271539  3.039418       1.354181  2.159244       2.492306  3.408113       1.613062  0.000000       0.000000  
1 1 1 10 1  0  o 233.1708 2.804019  544.1237       13.06040  555.8631       18.85855  533.3040       18.10489  0.000000       0.000000  
1 1 1 10 1  1  o 89.38257 0.9145001 79.90079       1.634739  79.62035       2.299716  80.18726       2.324218  -0.3169937     1.829000  
1 1 1 10 1  2  o 298.3608 2.923545  890.3817       17.43107  869.0635       24.06849  913.8972       25.27851  -7.494476      5.847090  
1 1 1 10 1  3  o 48.54908 0.5210332 23.50402       0.5047808 24.52982       0.7444984 22.63122       0.6867313 1.955208       1.042066  
1 1 1 10 1  4  f 187.8418 1.854501  352.1702       6.954853  340.0546       9.501772  366.1521       10.20739  -6.941437      3.709002  
1 1 1 10 1  5  o 284.2307 3.418135  808.6885       19.42952  803.3861       27.29136  814.1380       27.66747  -1.887146      6.836271  
1 1 1 10 1  6  o 555.5238 6.675961  3092.850       74.07883  3190.628       108.0918  3006.251       101.7244  16.46722       13.35192  
1 1 1 10 1  7  o 61.52847 0.8484325 38.17532       0.9405888 37.13342       1.755717  38.59472       1.113927  -1.189587      1.696865  
1 1 1 10 1  8  o 122.9518 1.236002  150.8674       3.034475  156.9052       4.447249  145.6075       4.150858  4.592575       2.472003  
1 1 1 10 1  9  o 315.8016 2.904293  1000.150       18.18396  992.1100       27.53737  1006.366       24.21401  -2.334717      5.808585  
1 1 1 10 1  10 o 125.3349 1.110965  157.0883       2.783859  155.0201       3.875973  159.2921       4.000943  -1.702713      2.221930  
1 1 1 10 1  11 o 126.8174 1.224071  161.2632       3.076116  163.5053       4.097920  158.3691       4.655866  2.035072       2.448141  
1 1 1 10 1  12 o 115.0064 1.047694  132.2728       2.408937  134.9151       3.464764  129.8004       3.351558  2.221352       2.095388  
1 1 1 10 1  13 o 55.92664 0.8896150 31.26816       0.9944077 32.91053       1.427782  29.72103       1.385769  2.850574       1.779230  
1 1 1 10 1  14 o 121.9224 1.193905  149.0760       2.897082  151.3946       3.925492  146.3025       4.293362  2.101936       2.387810  
1 1 1 10 1  15 o 38.69275 0.9591563 14.96621       0.7410667 14.65028       1.015386  15.32630       1.084032  -0.8710251     1.918313  
1 1 1 10 1  16 o 27.88998 1.076434  7.776831       0.5996834 7.421778       0.8234835 8.177717       0.8750219 -1.351593      2.152869  
1 1 1 10 1  17 o 130.9113 1.394051  172.3520       3.649804  174.4575       5.177586  170.2723       5.145767  1.593842       2.788101  
1 1 1 10 1  18 o 37.69372 0.9084203 14.25957       0.6846294 14.45866       0.9609479 14.05435       0.9756438 0.5382347      1.816841  
1 1 1 10 1  19 f 79.26612 0.9939169 63.08277       1.547855  63.84014       2.434212  62.56867       2.005533  0.7122498      1.987834  
1 1 1 10 1  20 o 22.82990 1.303072  5.274833       0.5929251 4.694598       0.8207878 5.908073       0.8574591 -2.643906      2.606144  
1 1 1 10 1  21 o 26.31925 1.224174  7.046016       0.6438410 6.814712       0.9185150 7.269448       0.9027471 -0.8713284     2.448348  
1 1 1 10 1  22 o 27.59951 1.246923  7.838218       0.6879163 7.759677       0.9553432 7.922794       0.9913781 -0.2655048     2.493846  
1 1 1 10 1  23 o 20.85430 1.867717  4.695277       0.7722309 3.928715       1.043178  5.624634       1.148619  -3.886646      3.735434  
1 1 1 10 1  24 o 50.67338 1.339325  27.31087       1.282372  27.17541       1.577509  27.57478       2.201912  0.6824684      2.678651  
1 1 1 10 2  0  o 523.1997 7.692596  2771.630       76.55013  2811.774       95.11758  2697.826       128.9693  0.000000       0.000000  
1 1 1 10 2  1  o 271.3162 2.488644  735.8350       13.33882  730.3429       17.51357  743.4218       20.58412  -2.366394      4.977288  
1 1 1 10 2  2  o 190.7101 1.876371  363.8759       7.156527  365.5434       10.17874  362.2458       10.06395  0.8634491      3.752742  
1 1 1 10 2  3  o 148.1340 1.374251  219.6782       4.033865  218.0882       6.124429  220.8966       5.360989  -0.9526672     2.748501  
1 1 1 10 2  4  o 273.5812 2.686364  747.4551       14.67465  776.1327       21.51110  722.4913       20.06994  9.788239       5.372727  
1 1 1 10 2  5  o 67.85025 0.8942271 45.79721       1.161404  45.21588       1.441795  46.87148       1.959974  -1.218536      1.788454  
1 1 1 10 2  6  o 289.6400 2.843246  839.2572       16.46665  850.1136       23.59061  828.9417       22.99551  3.649719       5.686491  
1 1 1 10 2  7  o 135.7185 1.540976  184.2931       4.098385  184.0011       6.476886  184.4881       5.292753  -0.1866302     3.081951  
1 1 1 10 2  8  o 138.5341 2.001868  187.7087       4.628318  199.8952       9.918678  184.3166       5.232964  5.577347       4.003736  
1 1 1 10 2  9  o 92.36804 1.000489  85.34236       1.848164  86.25047       2.611242  84.43083       2.616162  0.9850388      2.000979  
1 1 1 10 2  10 o 29.41622 0.7616319 8.688383       0.4457954 9.058805       0.6087041 8.259858       0.6547061 1.358393       1.523264  
1 1 1 10 2  11 o 163.7774 1.421921  268.3973       4.656685  265.5312       6.509961  271.4005       6.663827  -1.788620      2.843842  
1 1 1 10 2  12 o 65.27161 0.8094745 42.81983       1.041824  43.88948       1.372981  41.36801       1.599560  1.935135       1.618949  
1 1 1 10 2  13 o 181.4180 1.708820  329.4524       6.127333  332.1210       9.432651  327.5043       8.059239  1.213547       3.417640  
1 1 1 10 2  14 o 88.38034 1.118071  76.82717       1.929163  72.29662       2.443079  84.33118       3.144187  -6.783791      2.236143  
1 1 1 10 2  15 o 97.04758 1.099484  94.27277       2.132938  93.26712       2.962463  95.35519       3.073459  -1.071022      2.198969  
1 1 1 10 2  16 o 36.21674 0.9100896 13.08054       0.6576375 12.33292       0.8931784 13.96570       0.9718774 -2.249493      1.820179  
1 1 1 10 2  17 o 32.29004 1.071236  10.63207       0.6731603 11.30858       0.8743200 9.647266       1.054886  2.592405       2.142473  
1 1 1 10 2  18 o 47.64893 0.8446293 22.80657       0.8034805 23.54923       1.115534  22.00595       1.158256  1.624691       1.689259  
1 1 1 10 2  19 o 93.41406 1.057094  87.93266       1.954970  87.20661       2.977373  88.48292       2.592005  -0.7688675     2.114188  
1 1 1 10 2  20 o 47.17412 0.8673408 22.40427       0.8176985 22.83833       1.141539  21.94685       1.171857  0.9524536      1.734682  
1 1 1 10 2  21 o 20.03244 1.547652  4.122604       0.6187382 4.182325       0.8516473 4.055844       0.9004465 0.3450871      3.095304  
1 1 1 10 2  22 o 18.45235 1.707492  3.624985       0.6209700 4.270834       0.8744377 2.967947       0.8819791 3.538935       3.414984  
1 1 1 10 2  23 f 27.40918 1.366566  7.955541       0.7389083 7.250978       1.106550  8.522524       0.9926519 -2.461266      2.733132  
1 1 1 10 2  24 o 16.40643 2.609604  3.157181       0.8157803 2.293905       1.004077  4.833730       1.399266  -6.183353      5.219208  
1 1 1 10 3  0  o 65.32669 1.076411  42.77445       1.337481  42.83197       1.656319  42.66666       2.267439  0.000000       0.000000  
1 1 1 10 3  1  o 97.17990 0.8630802 94.44319       1.677351  94.99646       2.389682  93.90590       2.354965  0.5609436      1.726160  
1 1 1 10 3  2  o 338.2864 3.103379  1142.508       20.69434  1126.064       26.97601  1166.026       32.26024  -5.823761      6.206758  
1 1 1 10 3  3  f 167.0609 1.546700  278.4253       5.094150  283.5773       7.934177  274.8120       6.644587  2.614563       3.093399  
1 1 1 10 3  4  o 105.5104 1.219790  111.7964       2.528231  113.8520       3.296692  108.8609       3.939481  2.368256       2.439579  
1 1 1 10 3  5  o 277.5102 2.725321  769.9413       15.11595  788.7158       21.86736  752.7607       20.91855  6.469940       5.450642  
1 1 1 10 3  6  o 243.3613 2.397811  592.5424       11.67067  591.7899       16.49008  593.2977       16.51960  -0.3095551     4.795621  
1 1 1 10 3  7  o 376.3865 3.905373  1426.050       27.93440  1396.830       47.35567  1441.644       34.59423  -6.153046      7.810745  
1 1 1 10 3  8  o 183.7229 1.701376  337.7223       6.193898  337.3962       9.419080  337.9707       8.221528  -0.1668243     3.402753  
1 1 1 10 3  9  o 152.5545 1.370508  232.7429       4.049891  233.1856       6.611733  232.4771       5.123549  0.2154388      2.741016  
1 1 1 10 3  10 o 236.9939 2.193166  562.6267       10.29836  561.8245       15.66439  563.2374       13.66720  -0.3478088     4.386331  
1 1 1 10 3  11 o 79.58575 1.046278  63.53226       1.613685  62.69975       2.621337  64.04026       2.047662  -0.8510818     2.092557  
1 1 1 10 3  12 o 110.4347 1.249133  122.3437       2.630114  121.1442       4.440661  122.9918       3.264252  -0.8656998     2.498266  
1 1 1 10 3  13 o 84.96246 1.084969  70.85418       1.693915  75.75797       3.128270  68.81988       2.014863  4.053024       2.169938  
1 1 1 10 3  14 o 63.54000 0.8897759 40.27517       1.110250  41.06248       1.752067  39.74690       1.435183  1.026329       1.779552  
1 1 1 10 3  15 o 39.48766 1.535779  15.78160       1.199180  16.88941       1.616739  14.42674       1.787950  3.128654       3.071557  
1 1 1 10 3  16 o 24.82571 1.164856  6.118161       0.5751104 5.622905       0.7652991 6.760715       0.8717086 -2.283453      2.329713  
1 1 1 10 3  17 o 163.5314 1.697930  269.6401       5.552536  275.3820       7.923499  264.0995       7.783320  3.424667       3.395860  
1 1 1 10 3  18 o 41.28519 0.9251350 17.55071       0.7437660 20.88004       1.015986  13.70607       1.091787  8.698616       1.850270  
1 1 1 10 3  19 o 19.90445 1.786599  4.005114       0.6881773 4.164270       1.134687  3.912508       0.8655332 0.5317478      3.573199  
1 1 1 10 3  20 o 20.66035 1.408818  4.337683       0.5787497 4.339829       0.7780800 4.335026       0.8658957 0.4716301E-01  2.817637  
1 1 1 10 3  21 o 13.40448 2.213503  1.977118       0.5834191 2.180907       0.8032653 1.749585       0.8487725 1.582401       4.427006  
1 1 1 10 3  22 o 7.122075 2.124357  -0.1208540     0.5856249 0.6539817      0.7792774 -1.126219      0.8876652 2.955918       4.248714  
1 1 1 10 3  23 o 37.50764 1.046535  14.46597       0.7844849 13.72913       1.099664  15.22958       1.119459  -1.981098      2.093071  
1 1 1 10 3  24 o 31.15416 1.276284  10.28933       0.7940706 10.99887       1.131871  9.601636       1.114306  2.213221       2.552567  
1 1 1 10 4  0  o 16.09205 2.220495  3.175028       0.5375071 3.613395       0.6509300 2.235456       0.9529717 0.000000       0.000000  
1 1 1 10 4  1  o 113.9708 0.9995413 129.8849       2.277990  131.3685       3.257656  128.4653       3.186647  1.273308       1.999083  
1 1 1 10 4  2  f 63.91263 0.8163344 40.13380       0.9978850 43.26718       1.706689  38.50620       1.230049  3.722725       1.632669  
1 1 1 10 4  3  o 171.8801 1.524336  294.1838       5.042863  300.3598       8.399239  290.7027       6.305917  2.795624       3.048671  
1 1 1 10 4  4  o 219.1466 1.923844  483.0689       8.237400  467.8194       13.02585  493.2317       10.63369  -5.815247      3.847688  
1 1 1 10 4  5  o 426.5186 4.177286  1821.080       35.62043  1791.888       49.56297  1852.266       51.22808  -7.056488      8.354572  
1 1 1 10 4  6  o 174.7566 1.739074  305.4378       6.077380  303.1147       8.508602  307.8575       8.683493  -1.356003      3.478149  
1 1 1 10 4  7  o 155.0751 1.751141  238.4335       5.264462  249.1123       8.661447  232.1773       6.629577  5.445480       3.502282  
1 1 1 10 4  8  o 239.8774 2.641090  575.5499       12.40041  578.3229       19.69632  573.7290       15.96066  0.9046631      5.282180  
1 1 1 10 4  9  o 98.34895 0.9906092 96.40608       1.924067  98.86561       2.982688  94.65317       2.518028  2.137695       1.981218  
1 1 1 10 4  10 o 98.23933 1.307158  96.48183       2.566197  98.50146       3.719022  94.64628       3.545495  1.959488       2.614316  
1 1 1 10 4  11 o 165.2085 1.490941  271.7234       4.734723  278.4995       7.916871  267.9504       5.907658  3.147583       2.981881  
1 1 1 10 4  12 f 49.86118 0.8773463 24.68886       0.7944131 25.31023       1.482840  24.43873       0.9408192 0.8643341      1.754693  
1 1 1 10 4  13 o 90.63156 0.9730095 81.51991       1.732962  85.73352       2.746971  78.73431       2.233503  3.848724       1.946019  
1 1 1 10 4  14 o 85.41557 0.9593538 72.54115       1.611927  75.59771       2.542035  70.48560       2.084630  2.978455       1.918708  
1 1 1 10 4  15 o 102.1606 1.045299  104.2633       2.077097  105.5082       3.363096  103.4956       2.641002  0.9543915      2.090598  
1 1 1 10 4  16 o 10.20299 2.331109  0.9295812      0.6420316 -0.4160633     1.064023  1.700036       0.8051175 -5.051266      4.662217  
1 1 1 10 4  17 o 49.67045 1.110657  24.49248       1.035651  25.54075       1.827171  23.99630       1.257085  1.488880       2.221313  
1 1 1 10 4  18 o 99.36938 1.180888  99.37029       2.343989  99.64462       3.238116  99.06830       3.397420  0.3196106      2.361776  
1 1 1 10 4  19 o 62.27332 0.9365708 38.92173       1.151845  39.36351       1.779543  38.60319       1.511090  0.5576515      1.873142  
1 1 1 10 4  20 o 42.40657 0.8793731 18.06363       0.7438989 17.67039       1.011624  18.52666       1.097704  -0.9878998     1.758746  
1 1 1 10 4  21 o 12.84673 2.261804  1.813071       0.5743363 1.839427       0.7535791 1.776545       0.8871335 0.3128605      4.523607  
1 1 1 10 4  22 o 7.768029 2.290542  0.2775253      0.5894710 0.2918598      0.7949367 0.2600145      0.8786042 -0.2063546     4.581085  
1 1 1 10 4  23 o 22.60856 1.499433  5.484153       0.6666963 6.026624       0.8991267 4.821635       0.9936446 2.794067       2.998867  
1 1 1 10 4  24 f 12.91716 2.635185  2.184141       0.7209134 2.340479       1.000616  2.015400       1.039549  1.133145       5.270370  
1 1 1 10 5  0  o 72.95388 1.410981  53.35101       2.054785  53.40555       2.874020  53.29399       2.938874  0.000000       0.000000  
1 1 1 10 5  1  o 25.33906 1.109168  6.196433       0.4668612 6.829503       1.015282  6.026677       0.5257417 1.581532       2.218337  
1 1 1 10 5  2  o 231.0182 2.036940  532.5377       9.073822  539.4048       15.01889  528.5902       11.38693  2.306778       4.073880  
1 1 1 10 5  3  o 215.8837 1.986466  467.2719       8.519191  457.2587       12.73787  475.3757       11.45922  -4.206528      3.972932  
1 1 1 10 5  4  o 136.1671 1.279673  185.5745       3.455114  184.4525       5.232469  186.4420       4.600791  -0.7334747     2.559346  
1 1 1 10 5  5  o 78.46294 0.8606329 60.18941       1.329226  69.29009       2.120892  54.30239       1.705805  9.549744       1.721266  
1 1 1 10 5  6  o 237.0752 2.602384  565.5540       12.21391  587.2680       16.34146  538.0706       18.38465  10.39334       5.204768  
1 1 1 10 5  7  o 82.15121 0.8585268 67.62057       1.402245  66.27789       2.089005  68.72166       1.891779  -1.488091      1.717054  
1 1 1 10 5  8  f 339.6869 3.334981  1155.370       22.64770  1136.471       31.49090  1175.618       32.59500  -5.740967      6.669961  
1 1 1 10 5  9  o 242.6173 2.242811  587.8326       10.73672  598.5750       16.67143  580.2194       14.03475  3.731476       4.485622  
1 1 1 10 5  10 o 182.8438 1.633135  334.1997       5.777250  336.2964       9.469667  332.9567       7.291375  0.8704834      3.266269  
1 1 1 10 5  11 o 107.9658 1.076074  116.7515       2.309242  115.4628       3.453447  117.7937       3.105687  -1.085243      2.152147  
1 1 1 10 5  12 o 122.0690 1.353360  149.1441       3.124359  149.2639       5.379678  149.0831       3.837962  0.3000641E-01  2.706720  
1 1 1 10 5  13 o 147.6155 1.423622  217.8387       4.152634  220.6779       6.405688  215.7806       5.453888  1.624268       2.847244  
1 1 1 10 5  14 o 77.31635 0.8909038 59.88040       1.347038  59.54075       2.139524  60.10345       1.733814  -0.3755798     1.781808  
1 1 1 10 5  15 o 76.83908 0.9097078 59.50639       1.380511  56.28738       2.093696  61.98236       1.836219  -3.715614      1.819416  
1 1 1 10 5  16 o 24.14274 1.579934  5.436840       0.6841790 6.820786       1.359686  4.967620       0.7917123 3.776970       3.159868  
1 1 1 10 5  17 o 26.82287 1.680933  7.474382       0.8021738 6.765135       1.496644  7.760258       0.9501845 -1.947855      3.361867  
1 1 1 10 5  18 o 13.60517 2.233710  2.095049       0.6090995 1.208605       1.003281  2.612494       0.7665298 -4.900957      4.467419  
1 1 1 10 5  19 o 31.77923 1.218675  10.29844       0.7604499 9.545626       1.168181  10.85205       1.001773  -2.098000      2.437350  
1 1 1 10 5  20 o 14.77749 1.915587  2.386958       0.5356315 2.845033       0.7098860 1.781429       0.8161836 3.877118       3.831175  
1 1 1 10 5  21 o 32.76287 1.101611  10.85616       0.7206617 10.44479       0.9854668 11.32905       1.056585  -1.317963      2.203223  
1 1 1 10 5  22 o 9.211500 2.500557  0.7037182      0.6024653 0.5795825      0.7176911 0.9999189      1.108618  -1.996191      5.001114  
1 1 1 10 5  23 o 20.91907 1.662253  4.785962       0.6781268 5.567483       0.9243026 3.874920       0.9979596 4.155958       3.324507  
1 1 1 10 5  24 o 12.58567 2.491913  2.017952       0.6414062 2.031812       0.8081439 1.994359       1.054358  0.6372280      4.983827  
1 1 1 10 6  0  o 175.9194 2.649598  301.1978       8.454912  331.0850       16.03590  289.6904       9.950339  0.000000       0.000000  
1 1 1 10 6  1  o 197.4421 2.193680  383.7997       8.317157  412.1650       14.08442  368.6122       10.30599  10.99051       4.387360  
1 1 1 10 6  2  o 230.3636 2.326669  529.7878       9.653858  533.8849       18.19115  528.1816       11.39010  1.170380       4.653338  
1 1 1 10 6  3  o 339.2177 3.118517  1146.474       20.80174  1122.946       26.92432  1181.317       32.76419  -8.531555      6.237034  
1 1 1 10 6  4  o 300.4918 2.555760  903.0958       15.35450  919.3956       22.06625  887.7954       21.37913  5.252045       5.111520  
1 1 1 10 6  5  o 300.5004 2.553068  903.3233       15.34155  894.3521       21.46914  912.6844       21.93068  -3.046844      5.106136  
1 1 1 10 6  6  o 460.7401 4.516813  2123.690       41.56981  2063.036       57.09728  2192.104       60.63968  -13.95090      9.033626  
1 1 1 10 6  7  o 115.0623 1.128664  131.7694       2.541966  129.3614       3.260233  135.5029       4.059564  -2.664803      2.257327  
1 1 1 10 6  8  o 164.6171 1.542200  271.4784       5.039668  267.9400       7.579070  274.2830       6.747518  -1.934601      3.084399  
1 1 1 10 6  9  o 183.2736 1.635480  336.0482       5.811412  336.4203       9.463498  335.8228       7.363318  0.1322327      3.270960  
1 1 1 10 6  10 o 71.20004 0.7923152 50.41829       1.096335  51.90692       1.786406  49.51884       1.388590  1.673058       1.584630  
1 1 1 10 6  11 o 115.3650 1.248899  133.9440       2.632719  131.3114       4.808290  135.0711       3.146245  -1.661964      2.497799  
1 1 1 10 6  12 o 129.1202 1.506282  165.6368       3.786065  172.6316       6.158305  161.3865       4.800443  4.308678       3.012564  
1 1 1 10 6  13 o 123.5172 1.292327  152.7099       3.191507  154.3273       4.580103  151.1833       4.449667  1.268333       2.584654  
1 1 1 10 6  14 o 166.0387 1.514561  276.7337       4.893902  274.2843       7.871565  278.2770       6.248276  -1.282715      3.029123  
1 1 1 10 6  15 o 25.15273 1.406818  6.464293       0.6792452 5.880551       1.102827  6.821083       0.8621893 -1.884361      2.813635  
1 1 1 10 6  16 o 42.93951 1.209956  18.89106       1.010769  16.47383       1.563601  20.62629       1.324787  -4.855549      2.419911  
1 1 1 10 6  17 o 43.63428 1.239799  19.12338       0.9901552 19.13581       1.811582  19.11809       1.182397  -0.6035233E-01 2.479599  
1 1 1 10 6  18 o 96.52178 1.209243  91.55901       2.166766  99.97989       3.944019  87.91875       2.593152  5.962112       2.418486  
1 1 1 10 6  19 o 74.84176 0.9631801 56.46408       1.431670  55.10527       2.140990  57.56312       1.925487  -1.686401      1.926360  
1 1 1 10 6  20 o 46.06805 1.017668  21.25558       0.9024842 21.92496       1.505331  20.87998       1.127604  1.026035       2.035336  
1 1 1 10 6  21 o 22.75835 2.568158  6.488595       0.8740162 4.209997       1.815472  7.176038       0.9971817 -7.537252      5.136316  
1 1 1 10 6  22 o 11.90001 2.616668  1.592610       0.6445049 1.574293       0.7554820 1.641584       1.235298  -0.2204657     5.233335  
1 1 1 10 6  23 o 18.70336 2.215518  4.329620       0.6786864 4.745834       0.7979575 3.241083       1.290457  5.197474       4.431036  
1 1 1 10 6  24 o 7.215570 2.063828  0.3098451E-01  0.5919203 0.9721800      0.7142857 -2.032189      1.057548  3.826982       4.127656  
1 1 1 10 7  0  o 160.6881 2.266059  258.4027       7.279328  258.4027       7.279328  258.4027       7.279328  0.000000       0.000000  
1 1 1 10 7  1  o 253.5653 2.498694  643.3452       12.67012  650.1076       18.08912  636.8326       17.75216  2.613983       4.997387  
1 1 1 10 7  2  o 336.0793 3.083796  1129.650       20.48893  1123.557       26.96832  1137.969       31.51046  -2.086243      6.167592  
1 1 1 10 7  3  o 123.7632 1.261829  153.1767       3.122736  152.1256       4.366584  154.2769       4.467577  -0.8686676     2.523657  
1 1 1 10 7  4  o 373.4729 3.169208  1396.088       23.67217  1398.469       33.53461  1393.723       33.42070  0.6341553      6.338417  
1 1 1 10 7  5  o 173.4550 1.501090  298.8020       5.180089  321.0020       7.826268  281.4937       6.910421  11.38457       3.002181  
1 1 1 10 7  6  o 382.9877 3.755358  1468.944       28.76480  1473.169       40.79462  1464.766       40.56548  1.093842       7.510715  
1 1 1 10 7  7  o 342.7548 3.160769  1166.475       21.21591  1223.628       33.97626  1129.947       27.16234  13.56839       6.321537  
1 1 1 10 7  8  o 215.3898 1.847559  464.1090       7.956813  458.9967       11.10290  469.5067       11.40860  -2.435867      3.695117  
1 1 1 10 7  9  o 39.97070 0.8078517 15.83263       0.6379914 16.88985       0.9948339 15.09408       0.8314906 2.245121       1.615703  
1 1 1 10 7  10 o 100.4193 1.029838  100.3429       2.044912  104.3502       3.164282  97.46911       2.679647  3.419594       2.059676  
1 1 1 10 7  11 o 182.0183 1.879930  328.9934       6.118608  338.2681       11.72291  325.5208       7.173176  3.361725       3.759859  
1 1 1 10 7  12 o 117.9717 1.167530  139.5482       2.736445  137.0680       4.093830  141.5514       3.679137  -1.911697      2.335060  
1 1 1 10 7  13 o 200.0095 1.869089  402.0134       7.424578  392.7506       11.10794  409.4936       9.981958  -4.240860      3.738178  
1 1 1 10 7  14 o 120.9130 1.161897  146.0732       2.727150  147.6801       4.437631  145.0980       3.457002  1.029953       2.323793  
1 1 1 10 7  15 o 48.34113 0.9393775 23.13591       0.8978154 25.05803       1.399444  21.79141       1.170432  3.368584       1.878755  
1 1 1 10 7  16 o 63.28310 1.028062  40.49479       1.213917  39.14219       2.126672  41.14847       1.478431  -1.635330      2.056123  
1 1 1 10 7  17 o 71.91161 1.066555  51.31446       1.510525  48.78670       1.951570  55.09164       2.385618  -4.334373      2.133109  
1 1 1 10 7  18 o 59.17006 1.045779  35.14975       1.176095  35.39906       2.006555  35.01928       1.451575  0.2161636      2.091558  
1 1 1 10 7  19 o 23.19704 1.549432  5.471237       0.7045898 5.407116       1.108379  5.514720       0.9127503 -0.2978058     3.098863  
1 1 1 10 7  20 f 27.98770 1.334573  8.001086       0.7285879 7.678045       1.153164  8.215722       0.9399701 -1.040565      2.669146  
1 1 1 10 7  21 o 52.97415 1.264424  27.80490       1.186244  30.18282       2.332256  26.97505       1.377770  2.572361       2.528849  
1 1 1 10 7  22 o 13.28318 2.334900  2.018123       0.6162218 2.068588       0.8288881 1.955769       0.9213681 0.5146894      4.669800  
1 1 1 10 7  23 o 8.811777 2.367323  0.7638589      0.6038567 1.119668       0.6796590 -0.5696669     1.315780  2.150044       4.734646  
1 1 1 10 8  0  o 51.97744 1.157550  26.87341       1.138424  27.80353       1.964242  26.40294       1.396977  0.000000       0.000000  
1 1 1 10 8  1  o 609.7554 6.355707  3726.822       72.83466  3710.101       88.83943  3761.103       127.2034  -3.190613      12.71141  
1 1 1 10 8  2  o 206.1914 2.167079  422.6187       8.359303  417.6920       10.13249  433.1180       14.79175  -3.701813      4.334159  
1 1 1 10 8  3  o 154.0180 2.670811  237.2998       8.227059  237.2998       8.227059  ?              ?         ?              ?         
1 1 1 10 8  4  o 154.1351 1.621459  240.2154       4.803775  247.4425       6.061820  228.0150       7.876096  6.310867       3.242919  
1 1 1 10 8  5  o 239.4825 2.216393  573.7307       10.50759  574.0182       16.04788  573.5148       13.90202  0.9033203E-01  4.432786  
1 1 1 10 8  6  o 346.0214 2.940702  1198.085       20.34560  1182.580       28.38588  1214.466       29.17646  -4.598267      5.881403  
1 1 1 10 8  7  o 220.2805 2.177055  485.0942       9.584429  496.9329       13.87426  474.2876       13.25574  5.133743       4.354110  
1 1 1 10 8  8  f 91.60592 0.9753824 83.93681       1.746433  83.94950       2.243636  83.91734       2.781936  0.2148438E-01  1.950765  
1 1 1 10 8  9  o 174.4729 1.645223  303.3146       5.640389  297.7354       7.292038  311.6242       8.899364  -3.954010      3.290447  
1 1 1 10 8  10 o 44.29159 0.9963509 19.61050       0.8125594 19.66225       1.472692  19.58785       0.9742814 0.7729721E-01  1.992702  
1 1 1 10 8  11 o 205.8181 1.837228  425.2804       7.357084  420.1544       11.83120  428.5121       9.394266  -2.108643      3.674455  
1 1 1 10 8  12 o 78.45976 0.9831613 61.54918       1.537996  60.95908       2.089608  62.24674       2.271919  -0.8161392     1.966323  
1 1 1 10 8  13 f 36.40064 1.086409  13.16691       0.7546754 13.57747       1.284346  12.95040       0.9326710 0.8510933      2.172819  
1 1 1 10 8  14 o 67.28157 0.8684782 45.31962       1.147169  45.20192       1.802305  45.39979       1.487365  -0.1562653     1.736956  
1 1 1 10 8  15 o 16.65322 2.467155  2.818074       0.7894405 2.300649       1.028031  3.561720       1.232438  -3.691582      4.934309  
1 1 1 10 8  16 o 39.80392 1.068580  16.08854       0.8326148 14.79583       1.288671  17.01488       1.090881  -2.804970      2.137161  
1 1 1 10 8  17 o 23.94159 1.427812  5.750359       0.6771281 5.896776       1.037306  5.641641       0.8938380 0.5102634      2.855623  
1 1 1 10 8  18 o 89.77322 1.142615  81.05504       1.904822  81.36239       3.397867  80.91419       2.300256  0.2369690E-01  2.285231  
1 1 1 10 8  19 o 9.888058 2.526144  0.8736370      0.6405351 0.7049295      0.9992672 0.9913053      0.8345335 -0.4409618     5.052287  
1 1 1 10 8  20 o 51.44018 0.8720264 26.66434       0.8958429 27.84054       1.254148  25.43901       1.280076  2.340858       1.744053  
1 1 1 10 8  21 o 20.28160 1.490728  4.224169       0.5970636 5.089981       0.8587095 3.413850       0.8307362 4.116457       2.981455  
1 1 1 10 8  22 o 14.74343 2.266006  2.444236       0.6437167 2.352739       0.8499105 2.567343       0.9858460 -0.4930553     4.532011  
1 1 1 10 8  23 o 21.19595 1.752209  4.851001       0.7406551 5.383466       1.079395  4.377224       1.018173  2.270540       3.504417  
1 1 1 10 9  0  o 128.5788 1.974663  166.8308       4.820017  169.6618       5.979540  161.5785       8.144674  0.000000       0.000000  
1 1 1 10 9  1  o 431.2660 3.777988  1866.432       31.66481  1878.346       40.34552  1847.321       51.09723  3.752625       7.555977  
1 1 1 10 9  2  o 316.4721 3.297106  1003.538       19.71038  1005.328       24.19599  1000.007       33.98315  0.9564514      6.594212  
1 1 1 10 9  3  o 72.04969 1.172158  51.91483       1.689072  51.91483       1.689072  ?              ?         ?              ?         
1 1 1 10 9  4  o 484.8815 4.249424  2354.853       39.93596  2355.523       50.59000  2353.744       65.05563  0.3629456      8.498849  
1 1 1 10 9  5  f 347.4683 3.477870  1218.348       22.12505  1232.982       26.50445  1184.710       40.18330  7.102386       6.955739  
1 1 1 10 9  6  o 207.8805 1.843558  432.2107       7.415741  431.8924       9.368053  432.7448       12.13624  -0.1836548     3.687116  
1 1 1 10 9  7  o 97.46777 1.152552  95.11418       2.238237  105.8955       3.195464  84.72993       3.136062  10.85739       2.305104  
1 1 1 10 9  8  o 84.74581 0.9412025 70.71085       1.533215  67.95177       1.902539  75.82227       2.589535  -4.638397      1.882405  
1 1 1 10 9  9  o 69.31669 0.7703146 48.11386       1.066585  49.68697       1.488403  46.45338       1.529182  2.332809       1.540629  
1 1 1 10 9  10 o 90.94266 1.045907  82.63656       1.895551  81.53791       2.566381  83.95541       2.811830  -1.325470      2.091815  
1 1 1 10 9  11 o 196.8504 1.761613  388.2108       6.727084  387.7878       10.93219  388.4687       8.534125  -0.2502747     3.523225  
1 1 1 10 9  12 o 92.84238 1.007063  86.28385       1.864254  85.94513       2.743011  86.57462       2.541423  -0.3441315     2.014125  
1 1 1 10 9  13 o 108.4872 1.279888  116.5436       2.622137  121.7770       4.575337  113.9841       3.199744  3.542770       2.559776  
1 1 1 10 9  14 o 98.30991 1.160225  95.34575       2.069186  100.1644       3.891244  93.44604       2.443251  3.360085       2.320450  
1 1 1 10 9  15 o 36.32013 1.111975  13.11275       0.8043680 14.43265       1.206062  12.05529       1.079524  3.264938       2.223950  
1 1 1 10 9  16 o 93.78481 1.067162  88.32237       1.998889  85.38227       2.872049  91.08445       2.783732  -3.048500      2.134324  
1 1 1 10 9  17 o 40.42699 1.107142  16.79374       0.8703745 14.42002       1.340120  18.52550       1.144653  -5.102509      2.214284  
1 1 1 10 9  18 o 47.99954 0.8923226 23.08778       0.8546400 23.79026       1.259385  22.48812       1.163579  1.340759       1.784645  
1 1 1 10 9  19 o 44.11562 0.8894364 19.58867       0.7812896 19.86215       1.060527  19.26407       1.155378  0.6972313      1.778873  
1 1 1 10 9  20 o 15.42625 2.041917  2.554848       0.5994024 2.728751       0.7753824 2.296594       0.9448988 1.780836       4.083835  
1 1 1 10 9  21 o 34.53522 1.474607  12.35065       0.8378305 12.45497       0.9495751 11.98404       1.780167  1.148540       2.949214  
1 1 1 10 9  22 o 12.69184 2.710359  1.923968       0.7644243 2.283635       1.008533  1.438358       1.171882  2.594517       5.420718  
1 1 1 10 9  23 o 25.04057 1.601085  6.698333       0.7974832 7.694792       1.162199  5.811661       1.096307  3.655504       3.202169  
1 1 1 10 10 0  f 603.3838 7.255452  3652.461       87.47691  3601.541       122.0327  3706.282       125.4606  0.000000       0.000000  
1 1 1 10 10 1  o 154.0784 1.548735  237.3982       4.771533  240.2648       6.832433  234.6691       6.666556  1.814972       3.097470  
1 1 1 10 10 2  o 328.6129 2.885360  1080.714       18.35977  1080.736       23.22179  1080.677       29.98502  0.7305908E-01  5.770721  
1 1 1 10 10 3  o 371.2015 3.865191  1378.781       27.04590  1377.044       33.10613  1382.265       46.89647  -0.5455322     7.730382  
1 1 1 10 10 4  o 153.3634 1.592484  232.9926       4.352709  230.3268       5.091161  240.2350       8.391512  -3.214706      3.184967  
1 1 1 10 10 5  o 179.2587 2.405317  329.4849       7.186364  336.2259       8.199835  307.1595       14.92255  8.163956       4.810635  
1 1 1 10 10 6  o 463.9467 4.662199  2159.164       39.10081  2160.287       46.29020  2156.365       73.05040  0.9618530      9.324397  
1 1 1 10 10 7  o 283.0886 2.486477  806.1877       13.73963  821.0490       17.69334  783.6133       21.80668  6.672272       4.972953  
1 1 1 10 10 8  f 167.4183 1.504946  279.6710       4.858985  277.5599       6.098534  283.3408       8.040501  -1.701660      3.009892  
1 1 1 10 10 9  o 132.2357 1.462662  172.4654       3.572821  168.5677       4.273062  181.5216       6.513369  -4.861084      2.925323  
1 1 1 10 10 10 o 99.48850 0.9542844 99.04750       1.896904  99.72810       2.629419  98.30889       2.739202  0.7147980      1.908569  
1 1 1 10 10 11 o 78.64751 0.9409550 61.72614       1.477887  64.79493       2.163221  59.04008       2.023830  3.656120       1.881910  
1 1 1 10 10 12 o 79.93857 0.8148807 63.92274       1.301035  64.10641       1.891195  63.75771       1.792640  0.2160873      1.629761  
1 1 1 10 10 13 o 60.48125 0.8438218 36.33851       1.004666  38.04753       1.581988  35.18337       1.300609  2.360859       1.687644  
1 1 1 10 10 14 o 167.8569 1.492672  282.1347       5.006077  277.0798       6.901924  287.7460       7.271878  -3.157623      2.985345  
1 1 1 10 10 15 o 29.04717 1.139227  8.443636       0.6601149 8.288836       0.8981646 8.625479       0.9734623 -0.5742340     2.278454  
1 1 1 10 10 16 o 16.92073 2.117362  2.845698       0.6766795 2.581746       0.8402948 3.332654       1.141336  -1.852838      4.234725  
1 1 1 10 10 17 o 9.103421 2.313847  0.5430070      0.5982370 1.265679       0.8319749 -0.2306671     0.8608327 4.031490       4.627693  
1 1 1 10 10 18 o 30.53242 1.119045  9.333981       0.6811326 10.43597       1.002660  8.389627       0.9281794 3.335281       2.238090  
1 1 1 10 10 19 o 44.71573 0.8775867 20.14063       0.7765868 20.39767       1.030163  19.80227       1.181933  0.6974716      1.755173  
1 1 1 10 10 20 o 10.51858 2.095058  1.054708       0.5997423 2.191628       0.7843611 -0.5456408     0.9305901 7.554335       4.190117  
1 1 1 10 10 21 o 23.60871 1.635489  6.128679       0.7200298 7.327574       0.9342147 4.374418       1.130064  6.393841       3.270977  
1 1 1 10 10 22 o 19.95214 2.288199  4.901278       0.8045003 6.206865       1.038496  2.941861       1.272229  8.767035       4.576398  
1 1 1 10 10 23 o 13.53588 2.647895  2.143178       0.7891347 3.494020       1.212522  1.150565       1.039387  6.739262       5.295791  
1 1 1 10 11 0  o 134.7744 1.687666  181.4780       4.539499  188.3347       6.637195  175.4514       6.222495  0.000000       0.000000  
1 1 1 10 11 1  o 362.5673 3.330051  1314.886       23.87401  1309.362       31.45199  1322.396       36.67177  -1.742004      6.660102  
1 1 1 10 11 2  o 503.6087 4.272596  2539.684       43.02811  2512.607       60.23364  2567.900       61.48762  -5.473450      8.545193  
1 1 1 10 11 3  o 393.4409 3.604138  1554.075       28.24044  1606.140       38.60552  1494.145       41.41877  14.26260       7.208275  
1 1 1 10 11 4  o 322.0284 2.963636  1035.990       18.84584  1026.183       24.70457  1049.642       29.14706  -3.598785      5.927272  
1 1 1 10 11 5  o 568.3912 5.573571  3241.229       63.34490  3200.251       88.44984  3284.377       90.76129  -7.348206      11.14714  
1 1 1 10 11 6  o 158.7657 1.610084  251.8948       5.108823  258.6472       7.397998  245.7391       7.063534  4.062622       3.220168  
1 1 1 10 11 7  o 292.5700 2.695981  856.8361       15.60401  854.7621       20.59386  859.6320       23.91051  -0.7702942     5.391962  
1 1 1 10 11 8  o 29.04205 1.048967  8.513635       0.6036415 9.280560       0.8257109 7.633230       0.8846939 2.836674       2.097934  
1 1 1 10 11 9  o 49.79937 0.7717572 24.81069       0.7391531 24.82589       0.9261165 24.78401       1.226816  0.4489899E-01  1.543514  
1 1 1 10 11 10 o 165.0382 1.710468  273.7555       5.120059  275.1901       6.081913  270.2650       9.486663  1.579422       3.420935  
1 1 1 10 11 11 o 79.44304 1.138040  63.13548       1.808187  63.13548       1.808187  ?              ?         ?              ?         
1 1 1 10 11 12 o 77.78181 0.9291260 60.28400       1.430933  62.27930       2.199588  58.81997       1.884129  2.216385       1.858252  
1 1 1 10 11 13 o 101.1770 1.063858  101.9460       2.128535  105.8552       3.291835  99.13711       2.790349  3.303627       2.127717  
1 1 1 10 11 14 o 195.7505 1.710034  384.3223       6.694510  387.6942       9.521475  381.0259       9.414370  1.696487       3.420068  
1 1 1 10 11 15 o 43.45027 0.8877419 18.89823       0.7705907 18.73785       1.062878  19.07594       1.118834  -0.3858414     1.775484  
1 1 1 10 11 16 o 29.20865 1.213823  8.610663       0.7053809 7.879287       1.019719  9.281749       0.9767844 -2.405857      2.427646  
1 1 1 10 11 17 o 44.04820 0.9625934 19.52510       0.8454983 18.19080       1.212325  20.78871       1.179770  -2.952984      1.925187  
1 1 1 10 11 18 o 29.12957 1.177571  8.510862       0.6688095 8.365481       0.8521469 8.744069       1.079277  -0.5952282     2.355142  
1 1 1 10 11 19 o 44.30197 0.8962549 19.72110       0.7884407 19.58522       1.052289  19.89502       1.190506  -0.3182640     1.792510  
1 1 1 10 11 20 o 17.12559 2.107424  2.965911       0.6452448 2.749931       0.7620944 3.512722       1.212608  -1.556099      4.214848  
1 1 1 10 11 21 o 25.41852 1.518924  6.910919       0.7373153 7.656153       0.9489460 5.775657       1.171232  3.876398       3.037847  
1 1 1 10 11 22 o 11.93755 2.516516  1.690094       0.6804307 2.211117       0.9132095 1.039829       1.020205  3.725810       5.033032  
1 1 1 10 11 23 o 8.609833 2.537532  0.4925234      0.7269878 0.6367004      1.046302  0.3579521      1.010847  0.6786413      5.075063  
1 1 1 10 12 0  o 51.79985 1.265784  25.95954       1.157196  24.91973       1.339683  29.01544       2.296648  0.000000       0.000000  
1 1 1 10 12 1  o 38.60260 0.7421674 14.87122       0.5723267 15.87070       0.8298063 13.96438       0.7904140 2.469067       1.484335  
1 1 1 10 12 2  o 339.1178 3.116756  1148.839       20.86807  1137.987       27.34432  1163.972       32.29296  -3.785828      6.233511  
1 1 1 10 12 3  o 88.33868 0.9011992 78.61909       1.555216  80.88416       2.011462  75.25242       2.452285  3.188835       1.802398  
1 1 1 10 12 4  o 135.9621 1.472949  186.0714       3.825050  188.9398       4.769609  180.9018       6.403112  2.964813       2.945897  
1 1 1 10 12 5  o 355.2182 3.125304  1259.108       21.39330  1247.771       26.81406  1278.962       35.48573  -4.273438      6.250609  
1 1 1 10 12 6  o 313.5146 3.086138  984.2777       19.35064  980.7104       27.26727  987.8972       27.46568  -1.142944      6.172276  
1 1 1 10 12 7  o 144.0114 1.312975  208.8379       3.700290  214.4538       4.799149  200.6048       5.810774  4.818619       2.625949  
1 1 1 10 12 8  o 245.2042 2.164206  605.3132       10.36287  617.7915       13.36342  586.4905       16.41278  6.447647       4.328413  
1 1 1 10 12 9  o 191.7377 1.709964  370.3949       6.413515  379.9376       8.309080  356.3297       10.08759  6.196686       3.419927  
1 1 1 10 12 10 o 110.0589 1.290810  121.1767       2.841302  121.1767       2.841302  ?              ?         ?              ?         
1 1 1 10 12 11 o 18.10346 1.616830  2.931643       0.5499049 2.304400       0.6547083 4.434055       1.013268  -5.868808      3.233660  
1 1 1 10 12 12 o 114.8497 1.168029  131.4574       2.650396  135.6552       4.107715  128.4633       3.469134  3.111961       2.336057  
1 1 1 10 12 13 o 33.98610 1.128779  11.56193       0.7652965 11.53642       1.045052  11.59142       1.123821  -0.7806015E-01 2.257557  
1 1 1 10 12 14 o 150.0371 1.449163  226.1465       4.314226  229.8901       5.777233  221.4269       6.486682  2.860870       2.898325  
1 1 1 10 12 15 o 71.27045 0.9326527 50.52887       1.298319  49.31403       1.656527  52.46355       2.090474  -2.183228      1.865305  
1 1 1 10 12 16 o 45.45603 0.9497607 20.71614       0.8628920 20.72482       1.242892  20.70807       1.198923  0.1414490E-01  1.899521  
1 1 1 10 12 17 f 34.60688 1.090802  12.03925       0.7537271 11.84898       1.093058  12.21175       1.040728  -0.5316811     2.181604  
1 1 1 10 12 18 f 23.15296 1.427690  5.470267       0.6362959 5.593383       0.8033745 5.263040       1.042282  0.7860565      2.855380  
1 1 1 10 12 19 o 14.06234 2.173969  2.185769       0.5952730 2.543766       0.7657338 1.638969       0.9463496 3.416502       4.347939  
1 1 1 10 12 20 o 22.81556 1.361039  5.292947       0.6078147 5.242380       0.7816730 5.370279       0.9666542 -0.1878834     2.722078  
1 1 1 10 12 21 o 12.23357 2.800229  1.708400       0.8188702 2.224050       1.081916  1.016854       1.252928  3.247527       5.600457  
1 1 1 10 12 22 o 12.30597 2.569284  1.789375       0.6750352 1.817527       0.9155691 1.755846       0.9991909 0.2604342      5.138569  
1 1 1 10 12 23 o 22.76361 1.708674  5.623762       0.7696961 5.743714       1.026397  5.469631       1.163473  0.8338089      3.417348  
1 1 1 10 13 0  o 22.20559 2.057827  4.233056       0.7876930 3.312999       0.8962902 7.354622       1.650926  0.000000       0.000000  
1 1 1 10 13 1  o 359.0487 3.053640  1289.862       21.92386  1274.519       30.64259  1305.953       31.38062  -4.370514      6.107280  
1 1 1 10 13 2  o 356.9183 3.282552  1269.917       23.06690  1304.305       36.15881  1246.320       29.95344  8.058167       6.565105  
1 1 1 10 13 3  o 66.29803 0.9935959 42.92393       1.264024  40.50251       1.559779  47.55642       2.157420  -5.317726      1.987192  
1 1 1 10 13 4  o 294.8630 3.098204  861.5911       16.97399  846.9919       20.42601  894.1710       30.51372  -7.872894      6.196407  
1 1 1 10 13 5  o 444.0763 3.914117  1956.337       33.19532  1911.552       41.00297  2041.525       56.55033  -14.35513      7.828233  
1 1 1 10 13 6  o 191.6557 1.711997  369.5161       6.407316  377.1562       8.262284  357.9897       10.14843  5.020432       3.423994  
1 1 1 10 13 7  o 102.8304 1.009968  105.7558       2.009530  105.7234       2.538662  105.8104       3.288502  -0.3592682E-01 2.019937  
1 1 1 10 13 8  o 101.2933 1.152898  102.1188       2.085403  101.4833       2.445217  103.8144       3.993829  -1.131653      2.305796  
1 1 1 10 13 9  o 84.34645 1.091213  71.16030       1.840799  71.16030       1.840799  ?              ?         ?              ?         
1 1 1 10 13 10 o 164.7414 1.490721  272.5118       4.773576  275.1974       6.089281  268.2301       7.688802  2.157028       2.981443  
1 1 1 10 13 11 o 191.6803 1.967354  373.6522       6.940799  382.2268       8.373409  354.8238       12.40797  7.338898       3.934708  
1 1 1 10 13 12 o 45.03168 1.120174  20.64399       0.9905182 16.65840       1.432533  24.29504       1.371094  -8.480976      2.240347  
1 1 1 10 13 13 o 70.30388 0.9308680 49.55602       1.305639  47.96492       1.895983  50.99109       1.800613  -2.155144      1.861736  
1 1 1 10 13 14 o 64.22652 1.080979  40.91672       1.253800  40.40612       1.478530  42.22395       2.365705  -1.374332      2.161959  
1 1 1 10 13 15 o 68.43786 0.8656332 46.91912       1.184384  48.32090       1.672500  45.50903       1.677454  2.054611       1.731266  
1 1 1 10 13 16 o 59.72055 0.9538157 35.80245       1.137499  36.64398       1.577239  34.89033       1.642052  1.474701       1.907631  
1 1 1 10 13 17 o 34.35899 0.9933558 11.79165       0.6770797 11.39421       0.8955672 12.32191       1.034449  -1.329910      1.986712  
1 1 1 10 13 18 o 29.43018 1.132900  8.724534       0.6538684 8.709147       0.8453627 8.747447       1.031623  -0.2036667E-01 2.265800  
1 1 1 10 13 19 o 36.55682 0.9690797 13.48418       0.7065986 13.74333       0.9697943 13.19092       1.031633  0.7727127      1.938159  
1 1 1 10 13 20 o 26.00320 1.440683  6.903952       0.7491640 7.048923       1.064531  6.761701       1.054496  0.5470791      2.881366  
1 1 1 10 13 21 o 35.33733 1.248502  12.78690       0.8783517 13.18666       1.314126  12.46410       1.180883  0.9211082      2.497003  
1 1 1 10 13 22 o 7.918443 2.350490  0.1863088E-01  0.6925239 0.8767909      0.9664451 -0.8870471     0.9928415 3.206118       4.700980  
1 1 1 10 13 23 o 20.93825 1.853860  4.780624       0.7672172 3.900116       1.024227  5.906309       1.158078  -4.517529      3.707721  
1 1 1 10 14 0  o 44.46754 1.650239  19.91975       1.457323  21.30306       2.094224  18.62096       2.029244  0.000000       0.000000  
1 1 1 10 14 1  o 204.0645 1.762318  416.4221       7.190764  411.2223       10.03648  421.9065       10.30749  -2.616226      3.524636  
1 1 1 10 14 2  o 328.0323 3.017615  1076.016       19.56867  1083.895       30.09796  1070.247       25.75530  2.032837       6.035230  
1 1 1 10 14 3  o 270.8906 2.500733  732.7899       13.37242  724.8776       17.50842  743.8677       20.71676  -3.472809      5.001466  
1 1 1 10 14 4  o 481.2599 4.086634  2320.850       39.33284  2308.643       55.30682  2333.342       55.94879  -2.554352      8.173267  
1 1 1 10 14 5  o 271.3934 2.684245  736.6921       14.56055  754.5483       21.05003  720.3107       20.16211  6.295258       5.368490  
1 1 1 10 14 6  o 167.5305 1.753525  278.7789       5.242758  276.3039       6.141191  285.4306       10.06754  -2.673492      3.507050  
1 1 1 10 14 7  o 325.7150 2.866504  1068.136       18.20252  1086.061       23.38090  1040.557       29.00253  7.133759       5.733009  
1 1 1 10 14 8  o 191.7784 1.719210  369.0768       6.406803  372.0781       8.164919  364.2679       10.33509  2.081238       3.438420  
1 1 1 10 14 9  o 87.19594 0.9149873 76.09483       1.540413  76.19906       1.940771  75.91739       2.532351  0.1695099      1.829975  
1 1 1 10 14 10 o 163.5184 1.549463  268.6424       5.042017  278.4748       6.874111  257.1930       7.417872  6.523499       3.098926  
1 1 1 10 14 11 f 51.23485 1.031740  26.09131       0.9794598 25.80081       1.177504  26.74370       1.764601  -0.9051018     2.063481  
1 1 1 10 14 12 o 221.0476 2.354587  488.8206       9.739538  485.3068       11.82349  496.2380       17.17851  -2.126755      4.709174  
1 1 1 10 14 13 o 63.94769 0.8666109 40.97973       1.105480  41.80621       1.518751  40.04843       1.612201  1.377140       1.733222  
1 1 1 10 14 14 o 114.7508 1.182604  132.4013       2.693874  136.1354       3.625742  127.7999       4.024868  3.655251       2.365208  
1 1 1 10 14 15 o 48.18690 0.9073437 23.10949       0.8705451 21.73867       1.166016  24.83591       1.308548  -3.203808      1.814687  
1 1 1 10 14 16 o 9.821396 2.478684  0.5916221      0.6344047 0.5327980E-01  0.7976755 1.518271       1.046537  -4.821318      4.957368  
1 1 1 10 14 17 o 23.49496 1.619060  5.719398       0.7241163 6.059298       0.9117566 5.138778       1.191652  2.035267       3.238119  
1 1 1 10 14 18 o 21.54904 1.487021  4.858510       0.6195949 5.714235       0.8314767 3.790028       0.9291090 4.494486       2.974041  
1 1 1 10 14 19 o 45.86319 0.9806550 21.28251       0.8668885 21.52049       1.092780  20.87853       1.423818  0.7921181      1.961310  
1 1 1 10 14 20 o 19.07498 1.630816  3.740141       0.6216965 3.631427       0.8592477 3.859581       0.9006351 -0.5718899     3.261632  
1 1 1 10 14 21 o 20.53510 1.758646  4.494621       0.7110689 4.714297       0.9435368 4.205853       1.081787  1.395683       3.517293  
1 1 1 10 14 22 o 9.283010 2.469599  0.5980148      0.6946875 -0.2976502     0.9535853 1.610916       1.014075  -4.647624      4.939198  
1 1 1 10 14 23 o 9.203224 2.649095  0.8137833      0.7714663 0.5515115      1.081646  1.085346       1.100638  -1.188241      5.298191  
1 1 1 10 15 0  o 198.1498 2.429194  391.8766       9.597631  410.3757       14.17572  376.2198       13.04133  0.000000       0.000000  
1 1 1 10 15 1  o 234.3469 2.012625  549.4296       9.433050  549.4473       13.34279  549.4120       13.33790  0.7492065E-02  4.025250  
1 1 1 10 15 2  o 270.1412 2.667843  730.0445       14.40907  742.3212       20.70386  718.5125       20.06611  4.399719       5.335685  
1 1 1 10 15 3  o 168.1391 1.592991  282.0519       5.280232  278.4769       6.886998  287.1503       8.224524  -2.569870      3.185983  
1 1 1 10 15 4  o 176.7534 1.661886  313.1795       5.837181  306.5844       8.715249  318.5448       7.860763  -3.390213      3.323772  
1 1 1 10 15 5  o 130.7200 1.227835  170.1892       3.091638  168.2333       3.870325  173.6376       5.139121  -2.057068      2.455670  
1 1 1 10 15 6  o 202.4962 1.813235  409.7482       7.092698  407.9938       8.930022  412.7464       11.67355  -1.132233      3.626471  
1 1 1 10 15 7  f 159.5563 1.663275  256.3319       4.836463  258.5761       5.769320  251.0261       8.871023  2.417831       3.326549  
1 1 1 10 15 8  o 127.4180 1.200309  162.4444       2.957116  162.4505       3.732087  162.4342       4.847191  0.2416992E-01  2.400619  
1 1 1 10 15 9  o 271.1250 2.399093  740.0535       12.66981  750.8108       16.23964  723.3214       20.25362  5.222626       4.798186  
1 1 1 10 15 10 o 114.3091 1.304639  131.2235       2.829215  132.1603       3.493538  129.4383       4.822679  1.225975       2.609279  
1 1 1 10 15 11 o 96.73131 1.178339  92.58060       2.099973  90.93435       2.509114  96.43034       3.836986  -2.802216      2.356678  
1 1 1 10 15 12 o 15.30009 2.070846  2.100714       0.5938669 1.451664       0.7148537 3.546393       1.066876  -6.999934      4.141693  
1 1 1 10 15 13 o 41.82097 1.159848  17.64945       0.8979535 17.87900       1.085313  17.15133       1.598749  0.8904991      2.319695  
1 1 1 10 15 14 o 15.92878 2.303585  2.399590       0.7143517 1.526524       0.8974812 3.908953       1.180044  -7.540460      4.607170  
1 1 1 10 15 15 o 45.06693 1.132271  20.59417       0.9963036 19.30157       1.563161  21.47852       1.292957  -2.442223      2.264541  
1 1 1 10 15 16 o 56.25288 0.9061728 32.03242       1.006142  34.01886       1.345483  29.51249       1.515430  4.022575       1.812346  
1 1 1 10 15 17 o 10.16893 2.585492  0.9161040      0.6900207 1.271321       0.8638050 0.2897710      1.147021  1.912615       5.170984  
1 1 1 10 15 18 o 24.29148 1.275429  5.941441       0.6155158 5.803863       0.8202001 6.118808       0.9312847 -0.6172523     2.550858  
1 1 1 10 15 19 o 19.56270 1.663268  3.886960       0.6412176 3.771146       0.8330028 4.055379       1.004530  -0.6458378     3.326537  
1 1 1 10 15 20 f 34.14375 1.254828  12.00546       0.8197284 12.37907       1.029825  11.35938       1.354224  1.653217       2.509657  
1 1 1 10 15 21 o 31.97334 1.237667  10.35175       0.7835416 9.349649       1.023505  11.77055       1.217854  -3.621958      2.475334  
1 1 1 10 15 22 o 9.119905 2.596302  0.7025791      0.7283195 0.5506952      1.041713  0.8478186      1.018672  -0.6333418     5.192604  
1 1 1 10 15 23 o 10.44040 2.859155  1.324625       0.8473471 1.093768       1.135447  1.614788       1.272968  -1.269585      5.718309  
1 1 1 10 16 0  o 174.5262 2.647437  308.6515       8.870066  292.0856       14.53075  318.4908       11.19863  0.000000       0.000000  
1 1 1 10 16 1  o 113.5686 1.343895  128.5961       3.039292  146.4503       4.426298  112.6687       4.180629  14.87138       2.687790  
1 1 1 10 16 2  o 200.7954 2.010082  403.3140       8.070682  399.6184       11.28134  407.1882       11.55076  -1.882553      4.020163  
1 1 1 10 16 3  o 186.4989 1.623131  347.9117       6.053801  345.4834       8.499715  350.4116       8.624381  -1.320251      3.246263  
1 1 1 10 16 4  o 228.0952 2.121994  520.5267       9.581533  521.6602       14.64051  519.6776       12.67228  0.4098358      4.243987  
1 1 1 10 16 5  o 213.7495 1.845245  457.2241       7.888283  456.1104       11.11967  458.3523       11.19211  -0.5233765     3.690491  
1 1 1 10 16 6  o 103.1467 1.036548  106.5325       2.070824  106.8666       2.622266  105.9787       3.375519  0.4375763      2.073097  
1 1 1 10 16 7  o 235.3802 2.095495  554.2107       9.532464  552.4015       12.01344  557.2863       15.66314  -0.9491730     4.190990  
1 1 1 10 16 8  o 109.8594 1.077373  120.1545       2.271814  118.6692       2.830218  122.8452       3.809313  -1.885559      2.154746  
1 1 1 10 16 9  o 24.15956 1.433254  5.708574       0.6818144 5.125056       0.8755170 6.607802       1.086858  -3.063257      2.866507  
1 1 1 10 16 10 o 81.31956 0.9101259 66.83028       1.437995  69.15288       1.845766  63.24352       2.293720  3.642967       1.820252  
1 1 1 10 16 11 o 52.94749 1.082458  27.04797       1.100815  31.62822       1.891600  24.70247       1.353641  6.525265       2.164915  
1 1 1 10 16 12 o 106.6510 1.212821  116.3453       2.386298  120.5488       2.894476  107.4258       4.216362  6.201775       2.425642  
1 1 1 10 16 13 o 110.8201 1.273026  123.3017       2.514386  123.6398       2.951562  122.4069       4.800902  0.6423721      2.546052  
1 1 1 10 16 14 o 75.80991 1.016209  57.32646       1.477687  56.69682       1.840023  58.47015       2.479882  -1.127953      2.032419  
1 1 1 10 16 15 o 41.74606 1.032126  17.26988       0.8565713 15.24501       1.143081  19.86305       1.293581  -5.516178      2.064253  
1 1 1 10 16 16 o 46.51109 1.120110  21.66017       1.035527  21.13820       1.382212  22.32793       1.563378  -1.253601      2.240220  
1 1 1 10 16 17 o 31.10366 1.133830  9.756890       0.6944906 9.841258       0.9084789 9.638260       1.077267  0.3616257      2.267661  
1 1 1 10 16 18 o 12.08039 2.435943  1.598621       0.6340953 1.954912       0.8159879 1.055487       1.007475  2.873816       4.871887  
1 1 1 10 16 19 o 53.83085 0.8860267 29.22568       0.9520370 30.77220       1.331801  27.60952       1.361456  2.945450       1.772053  
1 1 1 10 16 20 o 37.26009 1.133106  14.01049       0.8268473 13.76254       1.062253  14.39167       1.317095  -0.7347603     2.266213  
1 1 1 10 16 21 o 21.76640 1.698437  5.029905       0.7330264 5.570716       1.016845  4.444794       1.057672  2.632051       3.396873  
1 1 1 10 16 22 o 15.78908 2.322780  2.858485       0.7062190 2.364287       0.9317297 3.525770       1.082669  -3.306804      4.645561  
1 1 1 10 16 23 o 17.00483 2.672734  3.775388       0.8894645 4.342397       1.225643  3.144512       1.292830  3.643518       5.345468  
1 1 1 10 17 0  o 387.1364 4.667034  1500.603       36.08352  1540.499       52.30500  1464.374       49.84355  0.000000       0.000000  
1 1 1 10 17 1  o 461.3245 5.077737  2127.171       45.65152  2172.427       73.68096  2098.973       58.15993  7.591156       10.15547  
1 1 1 10 17 2  o 448.1515 4.110686  2016.822       36.57787  1982.286       54.88659  2044.415       49.06021  -7.052094      8.221372  
1 1 1 10 17 3  o 129.6531 1.268088  168.5779       3.270507  163.6290       4.844605  172.7219       4.433127  -3.509705      2.536177  
1 1 1 10 17 4  o 237.5080 2.045711  563.5511       9.704405  584.0347       14.17702  545.4907       13.31199  8.101059       4.091421  
1 1 1 10 17 5  o 201.4676 1.748356  405.8967       7.041040  415.0915       10.15971  397.3990       9.766969  4.384964       3.496712  
1 1 1 10 17 6  o 165.7271 1.519551  272.4711       4.818485  266.9005       5.968207  282.9002       8.166083  -4.792587      3.039101  
1 1 1 10 17 7  o 119.2580 1.207050  142.0869       2.843687  140.9470       3.732921  143.6631       4.389564  -1.128357      2.414099  
1 1 1 10 17 8  o 58.54462 0.9022608 34.15617       1.041306  33.53646       1.356428  35.04550       1.624934  -1.285107      1.804522  
1 1 1 10 17 9  f 124.8074 1.405195  154.0874       3.247040  151.1453       3.893848  160.8033       5.883057  -3.816269      2.810391  
1 1 1 10 17 10 o 146.4976 1.573972  212.3724       4.083166  209.4235       4.755511  220.6456       7.965344  -3.705551      3.147944  
1 1 1 10 17 11 o 102.4433 1.234837  105.6331       2.376398  106.7377       2.907789  103.4115       4.123686  1.663239       2.469673  
1 1 1 10 17 12 o 57.95316 0.8917030 33.87697       0.9876682 34.54105       1.233945  32.69297       1.647634  1.606541       1.783406  
1 1 1 10 17 13 o 49.98273 0.9326764 24.93418       0.8736191 24.79671       1.062215  25.22155       1.535797  -0.4066391     1.865353  
1 1 1 10 17 14 o 17.01617 2.616333  3.086706       0.8509481 3.278397       1.096023  2.795802       1.350186  1.473507       5.232665  
1 1 1 10 17 15 o 84.39932 1.089223  71.27937       1.830494  69.48647       2.462127  73.49503       2.737064  -2.344200      2.178446  
1 1 1 10 17 16 o 7.735672 2.408362  -0.1789008     0.6713786 -0.1176781     0.8027508 -0.3213987     1.224697  -1.384936      4.816724  
1 1 1 10 17 17 o 17.52901 2.074055  3.362224       0.6627013 3.762404       0.8350464 2.681371       1.089205  3.471812       4.148110  
1 1 1 10 17 18 o 40.30087 0.9883988 16.30967       0.7862840 16.08901       1.028918  16.61940       1.219051  -0.6114883     1.976798  
1 1 1 10 17 19 o 28.46052 1.458659  8.270203       0.8087023 8.255895       1.033198  8.292834       1.299376  0.7311058E-01  2.917318  
1 1 1 10 17 20 o 14.79889 2.720347  2.484320       0.8134918 2.347085       1.179889  2.608665       1.123112  -0.8472042     5.440694  
1 1 1 10 17 21 o 8.520135 2.532756  0.3434751      0.7327706 0.3512557      1.043312  0.3359005      1.029416  0.7183456E-01  5.065511  
1 1 1 10 17 22 o 7.142459 2.302424  -0.3242709     0.7282716 -0.3214335     0.9801589 -0.3277681     1.088148  -0.3564014     4.604848  
1 1 1 10 18 0  o 34.66722 1.889714  11.24618       1.181397  14.67803       2.292692  10.00553       1.378499  0.000000       0.000000  
1 1 1 10 18 1  o 137.0101 1.337627  188.0344       3.633840  185.7341       5.494731  189.8225       4.844515  -1.497055      2.675254  
1 1 1 10 18 2  o 287.9716 3.021939  828.0816       16.34358  838.1795       28.61356  823.1920       19.91121  2.434021       6.043878  
1 1 1 10 18 3  o 161.1718 1.747291  258.7584       5.283827  263.3129       9.281119  256.5744       6.427048  2.053482       3.494582  
1 1 1 10 18 4  o 215.9879 2.019843  466.6050       8.630527  469.3973       13.23372  464.5384       11.38472  1.093185       4.039686  
1 1 1 10 18 5  o 111.3280 1.133680  123.9038       2.498160  124.5351       3.821690  123.4328       3.301075  0.4893188      2.267360  
1 1 1 10 18 6  o 74.21919 0.9538825 55.08475       1.415631  55.90513       2.027473  54.30435       1.977472  1.077843       1.907765  
1 1 1 10 18 7  o 208.3679 1.872480  433.9780       7.531319  431.7090       9.470529  437.8812       12.42181  -1.402466      3.744961  
1 1 1 10 18 8  o 65.93726 0.8746721 43.59045       1.109474  43.85169       1.392492  43.13633       1.835957  0.5490265      1.749344  
1 1 1 10 18 9  o 65.15058 0.8386493 43.06237       1.076690  47.43273       1.454840  37.76999       1.600968  7.418308       1.677299  
1 1 1 10 18 10 o 67.30142 1.038523  45.65329       1.311602  46.28296       1.604627  44.38567       2.276736  1.426735       2.077046  
1 1 1 10 18 11 o 82.81496 0.9328765 68.96824       1.484933  69.87244       1.865151  67.40297       2.454014  1.506744       1.865753  
1 1 1 10 18 12 o 83.10405 0.9380273 69.97588       1.517896  73.22279       1.962252  65.13832       2.395149  4.877853       1.876055  
1 1 1 10 18 13 o 99.38469 1.078540  98.67683       2.102438  97.63822       2.712574  100.2395       3.327307  -1.275940      2.157080  
1 1 1 10 18 14 o 16.94312 2.265160  2.542599       0.7093797 1.810373       0.8405080 4.355632       1.322580  -7.636510      4.530319  
1 1 1 10 18 15 o 41.96414 1.293606  17.65951       0.9591478 17.61624       1.118985  17.77934       1.862233  -0.9603500E-01 2.587211  
1 1 1 10 18 16 o 41.96455 1.131055  17.79997       0.9438373 15.99529       1.356150  19.49525       1.314403  -4.176949      2.262111  
1 1 1 10 18 17 o 36.12005 1.057147  12.93587       0.7520794 12.06665       0.9693893 14.25010       1.191990  -2.971867      2.114295  
1 1 1 10 18 18 o 7.586799 2.382529  -0.4057952     0.6703969 -0.6830148     0.8048546 0.2223156      1.211501  -3.221034      4.765059  
1 1 1 10 18 19 o 16.80866 2.109740  2.935537       0.6771882 2.713438       0.8580430 3.302365       1.102723  -1.265423      4.219481  
1 1 1 10 18 20 o 21.98157 1.773485  5.107715       0.7632204 5.255738       0.9937950 4.894880       1.191662  1.017590       3.546969  
1 1 1 10 18 21 o 36.84734 1.207419  14.01479       0.8876263 15.29268       1.267739  12.78587       1.243207  3.378628       2.414839  
1 1 1 10 18 22 o 18.90293 2.394619  4.276324       0.8424593 4.562026       1.069528  3.809270       1.367476  2.987827       4.789238  
1 1 1 10 19 0  o 187.3629 2.854441  345.3421       9.854724  368.5350       18.06329  335.5135       11.75887  0.000000       0.000000  
1 1 1 10 19 1  o 129.4158 1.284335  167.6871       3.289147  166.5392       5.021574  168.5497       4.352877  -0.7831573     2.568669  
1 1 1 10 19 2  o 274.6835 2.880547  757.9364       14.98481  749.6101       25.64951  762.2508       18.46332  -2.463287      5.761095  
1 1 1 10 19 3  o 417.2458 3.556537  1746.176       29.67751  1757.375       42.22775  1735.245       41.71758  2.636353       7.113074  
1 1 1 10 19 4  o 128.7097 1.266901  166.2744       3.247334  172.8521       4.447692  158.7649       4.752274  5.476189       2.533802  
1 1 1 10 19 5  o 240.8625 2.076967  580.1801       9.994433  565.4733       13.75530  596.6270       14.54638  -6.448593      4.153933  
1 1 1 10 19 6  o 105.1498 1.010929  110.5809       2.125175  109.6702       2.959823  111.5500       3.053257  -0.8926086     2.021857  
1 1 1 10 19 7  o 22.44144 1.774086  3.934491       0.6938402 2.903994       0.7815227 7.769386       1.507632  -10.82010      3.548173  
1 1 1 10 19 8  o 42.92355 1.502986  17.95991       0.9272164 17.75307       1.004326  19.15384       2.412956  -1.594288      3.005972  
1 1 1 10 19 9  o 175.9942 1.604899  310.5765       5.468918  311.4102       6.921532  309.1911       8.922465  0.7095642      3.209798  
1 1 1 10 19 10 o 79.14676 0.9744380 62.95237       1.518748  64.28659       1.992993  61.10448       2.345466  2.019081       1.948876  
1 1 1 10 19 11 o 27.96245 1.320727  7.538947       0.6895126 7.062374       0.8253480 8.640050       1.254546  -2.803253      2.641454  
1 1 1 10 19 12 o 26.76254 1.398489  6.935448       0.7317588 6.105508       0.9236058 8.334821       1.199306  -4.150906      2.796979  
1 1 1 10 19 13 o 75.92626 0.9403621 58.46489       1.374424  60.59676       1.741195  54.94069       2.238712  3.752457       1.880724  
1 1 1 10 19 14 o 60.13048 1.075738  36.56901       1.157891  36.96015       1.365730  35.56919       2.183519  1.232399       2.151476  
1 1 1 10 19 15 o 31.39347 1.333772  9.939298       0.8321632 9.618712       1.237121  10.20423       1.124619  -0.9488049     2.667544  
1 1 1 10 19 16 o 16.84708 2.973029  3.100689       0.9597557 2.891999       1.675732  3.202563       1.170807  -0.9870987     5.946059  
1 1 1 10 19 17 o 34.83192 1.113862  12.08433       0.7568995 11.62332       0.9610066 12.83757       1.228389  -1.680309      2.227724  
1 1 1 10 19 18 o 66.78152 0.9154668 45.05413       1.216408  46.65461       1.656789  43.18253       1.791636  2.635078       1.830934  
1 1 1 10 19 19 o 39.32253 1.093092  15.49938       0.8438130 14.88526       1.084305  16.44237       1.343632  -1.876572      2.186184  
1 1 1 10 19 20 o 12.91778 2.662012  1.967945       0.7364587 2.218159       0.9381434 1.566132       1.188845  2.094914       5.324024  
1 1 1 10 19 21 o 18.76539 2.143901  3.948706       0.7482919 4.033113       0.9409311 3.803463       1.234278  1.386787       4.287802  
1 1 1 10 19 22 o 38.58828 1.539153  16.33149       1.111315  17.36798       1.382504  14.43869       1.868252  4.524052       3.078305  
1 1 1 10 20 0  o 81.33060 1.577995  63.98429       2.334375  71.94929       4.422653  60.90832       2.748410  0.000000       0.000000  
1 1 1 10 20 1  o 40.13757 0.9832048 16.16665       0.7791371 15.77416       1.194204  16.45754       1.028093  -0.8527031     1.966410  
1 1 1 10 20 2  o 194.9236 2.194770  379.8940       8.363740  382.9012       13.34044  377.9464       10.73565  1.219620       4.389541  
1 1 1 10 20 3  o 82.36174 1.021114  66.71226       1.664750  60.23562       2.172423  75.92635       2.591170  -9.521301      2.042227  
1 1 1 10 20 4  o 187.0384 1.764894  350.3413       6.538880  351.3822       8.675306  348.9722       9.949930  0.6692047      3.529788  
1 1 1 10 20 5  o 38.86514 1.018857  15.16054       0.7791662 15.39806       1.019003  14.82618       1.209016  0.7382355      2.037715  
1 1 1 10 20 6  o 154.2682 1.483446  238.0490       4.523074  237.1950       5.951953  239.2162       6.958536  -0.6331787     2.966892  
1 1 1 10 20 7  o 71.97675 0.8449214 51.77604       1.215611  54.21182       1.747317  49.49132       1.692271  3.278381       1.689843  
1 1 1 10 20 8  o 122.7239 1.188778  151.5707       2.836031  154.3945       3.626679  147.1259       4.550102  2.984322       2.377556  
1 1 1 10 20 9  o 47.54821 1.050325  22.62489       0.9978936 23.95298       1.422182  21.33691       1.400536  2.750393       2.100649  
1 1 1 10 20 10 o 86.31894 1.018054  74.86684       1.740360  76.86486       2.322763  72.30946       2.627858  2.647247       2.036109  
1 1 1 10 20 11 o 49.13596 1.008877  24.36985       0.9803170 25.81403       1.316616  22.57313       1.468550  3.302959       2.017754  
1 1 1 10 20 12 o 62.54683 0.9504594 39.38261       1.165833  40.34392       1.517372  37.99743       1.821438  1.887543       1.900919  
1 1 1 10 20 13 o 99.99323 1.218454  101.2623       2.179384  102.5360       2.570673  98.00729       4.109436  2.383102       2.436909  
1 1 1 10 20 14 o 50.32884 1.002653  25.47676       0.8974038 25.56874       1.052353  25.23157       1.718166  0.3980179      2.005306  
1 1 1 10 20 15 o 44.01457 1.017686  18.90417       0.8738970 17.17621       1.100604  21.85221       1.437574  -5.269207      2.035372  
1 1 1 10 20 16 o 89.08939 1.208716  80.23463       2.088055  78.86317       3.381312  81.08000       2.654705  -1.403320      2.417431  
1 1 1 10 20 17 f 30.65024 1.465124  9.607056       0.8105520 9.725611       0.9622217 9.317364       1.504111  0.8374290      2.930248  
1 1 1 10 20 18 o 25.20184 1.468130  6.222958       0.7223212 5.430709       0.9087115 7.582638       1.190456  -4.151941      2.936260  
1 1 1 10 20 19 o 24.70057 1.654153  6.390813       0.7837045 6.683879       0.9928710 5.906422       1.276460  1.759304       3.308306  
1 1 1 10 20 20 o 40.14503 1.307575  16.68544       1.044863  14.87244       1.477890  18.49732       1.477430  -4.515133      2.615150  
1 1 1 10 20 21 o 30.84950 1.417181  9.788984       0.8456251 9.218652       1.056129  10.80774       1.411523  -2.131981      2.834361  
1 1 1 10 20 22 o 23.99133 1.788087  6.378607       0.8570960 6.102785       1.180315  6.686296       1.246636  -1.071348      3.576174  
1 1 1 10 21 0  o 71.35605 1.808988  51.03481       2.571218  53.12984       3.752067  49.17985       3.530537  0.000000       0.000000  
1 1 1 10 21 1  o 129.8111 1.194007  168.5681       3.099765  169.3983       4.408854  167.7566       4.359030  0.6317749      2.388014  
1 1 1 10 21 2  o 141.4741 1.385898  198.2617       3.840950  190.8302       4.914680  209.9238       6.156625  -6.730148      2.771797  
1 1 1 10 21 3  o 126.2838 1.168696  159.5291       2.951487  158.2990       4.141032  160.7992       4.207837  -0.9889984     2.337393  
1 1 1 10 21 4  o 213.8265 2.005207  457.9958       8.491484  457.1472       12.93878  458.6379       11.25421  -0.3922729     4.010413  
1 1 1 10 21 5  o 91.07742 1.011910  83.14184       1.830962  81.57687       2.738845  84.40639       2.461972  -1.557404      2.023820  
1 1 1 10 21 6  o 80.35033 1.014289  64.54014       1.629300  62.31857       2.268642  66.90657       2.341439  -2.853798      2.028579  
1 1 1 10 21 7  o 34.73566 1.375985  12.19378       0.9114587 12.47535       1.136854  11.68712       1.525004  1.144733       2.751969  
1 1 1 10 21 8  o 113.1967 1.186245  128.5826       2.664744  130.9922       3.572215  125.5594       4.001200  2.412285       2.372489  
1 1 1 10 21 9  o 132.8286 1.429929  176.5773       3.796400  173.5242       5.261029  179.8942       5.483735  -2.389679      2.859857  
1 1 1 10 21 10 o 136.0440 1.300166  185.7371       3.422145  186.9005       4.330042  183.8013       5.585476  1.188049       2.600333  
1 1 1 10 21 11 o 107.0319 1.093793  114.3135       2.248424  113.3476       2.805944  116.0463       3.758317  -1.224884      2.187585  
1 1 1 10 21 12 o 9.886797 2.731046  0.5722646      0.6841697 0.5113198      0.7813082 0.7726623      1.416774  -2.607610      5.462092  
1 1 1 10 21 13 o 36.75762 1.155762  14.19795       0.7987349 15.91389       1.012321  11.36784       1.300076  6.206059       2.311524  
1 1 1 10 21 14 o 14.91873 2.563787  2.393743       0.7290226 2.512991       0.8908661 2.152001       1.268421  1.164248       5.127573  
1 1 1 10 21 15 o 45.19806 1.033629  20.52171       0.9334843 20.82846       1.298247  20.19335       1.343192  0.7086906      2.067257  
1 1 1 10 21 16 o 21.14264 2.423016  4.770907       0.9669376 6.317415       1.382830  3.291311       1.352584  7.431522       4.846033  
1 1 1 10 21 17 o 33.79323 1.185055  11.50693       0.7913502 11.39116       1.039441  11.66655       1.220517  -0.3562508     2.370111  
1 1 1 10 21 18 o 55.41319 1.019960  30.93417       1.129136  29.84221       1.552809  32.15941       1.644842  -2.061367      2.039920  
1 1 1 10 21 19 o 45.17575 1.142694  20.74301       1.028999  18.85807       1.457643  22.61549       1.452817  -4.160751      2.285388  
1 1 1 10 21 20 f 29.08463 1.525852  8.757337       0.8838760 7.899086       1.189891  9.813896       1.320222  -3.159191      3.051704  
1 1 1 10 21 21 o 20.91629 2.688173  5.909194       0.8857081 6.537666       1.018628  3.961434       1.793246  7.963045       5.376347  
1 1 1 10 21 22 o 36.44556 1.338508  14.15778       0.9754957 13.89515       1.364959  14.43195       1.394638  -0.6845436     2.677016  
1 1 1 10 22 0  o 111.1424 1.514625  123.7073       3.363699  123.5177       4.724248  123.9023       4.790419  0.000000       0.000000  
1 1 1 10 22 1  o 213.7705 2.009251  456.0695       8.463867  448.9343       11.02090  466.3287       13.21510  -4.016983      4.018503  
1 1 1 10 22 2  o 247.0283 2.302088  611.1161       11.24931  609.7068       14.84401  613.0173       17.24173  -0.6019745     4.604175  
1 1 1 10 22 3  o 247.5189 2.137655  613.6302       10.58094  608.4609       14.82753  618.9940       15.10372  -2.119812      4.275310  
1 1 1 10 22 4  o 122.3860 1.148491  149.7343       2.808881  146.8534       3.880389  152.9055       4.071192  -2.469368      2.296983  
1 1 1 10 22 5  o 108.3062 1.046356  117.3220       2.266151  119.4771       3.241242  115.2611       3.169602  1.945175       2.092711  
1 1 1 10 22 6  o 99.10302 1.220695  98.45409       2.257060  98.74622       2.739031  97.83604       3.983957  0.4868317      2.441389  
1 1 1 10 22 7  o 121.3456 1.131859  147.3593       2.746608  146.8737       3.852479  147.8612       3.916903  -0.4052658     2.263717  
1 1 1 10 22 8  o 186.0087 1.773970  347.6404       6.555118  338.7578       9.787879  354.8646       8.827067  -4.372238      3.547939  
1 1 1 10 22 9  o 98.89801 1.053507  98.93563       2.031637  102.9833       2.628463  92.92863       3.202040  5.099686       2.107015  
1 1 1 10 22 10 o 82.42404 0.9863116 68.73476       1.579676  71.33518       2.029797  64.74078       2.515554  4.015778       1.972623  
1 1 1 10 22 11 o 50.02068 1.143597  25.94023       1.012338  27.05403       1.196404  23.13261       1.899525  3.948860       2.287193  
1 1 1 10 22 12 o 46.27761 1.049816  21.79487       0.9417323 22.98088       1.211615  19.98498       1.496744  3.255001       2.099633  
1 1 1 10 22 13 o 25.27359 1.382182  5.806039       0.6214067 5.175266       0.7131264 7.795942       1.266620  -5.117756      2.764364  
1 1 1 10 22 14 o 21.85011 1.611631  4.734563       0.6784760 4.536984       0.8443186 5.094704       1.139914  -1.225798      3.223263  
1 1 1 10 22 15 o 5.866537 1.982285  -0.8792679     0.5377769 -0.8599253     0.6175242 -0.9399845     1.094084  -2.224049      3.964570  
1 1 1 10 22 16 o 33.93719 1.457046  11.74528       0.9727892 11.18661       1.497630  12.15303       1.279452  -1.491436      2.914092  
1 1 1 10 22 17 o 53.03553 0.9911220 28.30863       1.037297  28.14256       1.358867  28.54053       1.605771  -0.3085632     1.982244  
1 1 1 10 22 18 o 20.71663 1.800702  4.429998       0.7312215 4.386779       0.9434913 4.495004       1.157104  -0.1163559     3.601404  
1 1 1 10 22 19 o 17.40722 2.407762  3.334879       0.8204073 3.724964       1.152500  2.934149       1.168120  2.589268       4.815524  
1 1 1 10 22 20 o 15.12580 2.478153  2.816273       0.7812706 3.749403       1.022096  1.504803       1.211714  7.088859       4.956306  
1 1 1 10 22 21 f 27.55006 1.533374  8.044876       0.8350186 7.848242       1.095620  8.317381       1.289786  -0.5626431     3.066749  
1 1 1 10 23 0  o 96.28014 1.387242  92.54541       2.662266  88.78008       3.615132  97.00705       3.935229  0.000000       0.000000  
1 1 1 10 23 1  o 122.3648 1.237573  150.0880       3.007043  147.4999       4.510746  152.1582       4.034242  -1.911484      2.475146  
1 1 1 10 23 2  o 167.5533 1.490406  280.4085       4.987131  291.3581       7.296924  270.8104       6.831768  6.121887       2.980811  
1 1 1 10 23 3  o 126.6232 1.272257  160.4147       3.185697  160.2577       4.201004  160.6273       4.886904  -0.1331482     2.544515  
1 1 1 10 23 4  o 171.0418 1.638943  292.2431       5.527187  289.0290       7.214837  296.8093       8.599442  -2.238480      3.277886  
1 1 1 10 23 5  o 74.00062 1.038871  54.01422       1.442355  52.61090       1.747231  57.01646       2.555605  -2.961578      2.077741  
1 1 1 10 23 6  o 110.4266 1.144449  122.1176       2.502002  122.6275       3.314928  121.4425       3.814075  0.5484314      2.288898  
1 1 1 10 23 7  o 87.92413 1.003333  77.47436       1.748011  78.20927       2.325396  76.51959       2.650511  0.9690933      2.006666  
1 1 1 10 23 8  o 42.03646 1.179709  16.51743       0.9109629 14.93832       1.070174  20.67199       1.735844  -6.799652      2.359419  
1 1 1 10 23 9  o 70.35007 1.078781  47.96315       1.331141  46.35567       1.535210  52.83263       2.672009  -4.567101      2.157561  
1 1 1 10 23 10 o 71.31935 0.9517245 51.37916       1.316393  52.93909       1.682683  48.91840       2.113402  2.832680       1.903449  
1 1 1 10 23 11 o 86.30643 1.005870  73.97590       1.643549  72.73554       2.013211  76.45451       2.845908  -2.117546      2.011739  
1 1 1 10 23 12 o 16.09899 2.584095  2.759437       0.8125835 3.074680       1.096003  2.374633       1.210902  2.136566       5.168189  
1 1 1 10 23 13 o 63.07103 1.045568  39.85259       1.165416  39.79923       1.360005  40.00006       2.260974  -0.6998825E-01 2.091137  
1 1 1 10 23 14 o 60.52419 0.9189526 37.01985       1.055268  37.65376       1.306784  35.83162       1.789121  1.557999       1.837905  
1 1 1 10 23 15 o 29.81029 1.163262  8.755871       0.6619470 8.332408       0.8130005 9.588693       1.140145  -2.037569      2.326523  
1 1 1 10 23 16 o 33.97917 1.427939  11.73902       0.9494579 11.43145       1.495724  11.94659       1.228767  -0.8388023     2.855877  
1 1 1 10 23 17 o 32.61837 1.283724  11.02715       0.8088030 11.90845       1.044612  9.708051       1.278002  3.457596       2.567448  
1 1 1 10 23 18 o 24.02901 1.719870  5.658960       0.8057472 4.622058       1.013239  7.442595       1.328911  -5.672972      3.439741  
1 1 1 10 23 19 o 38.43114 1.204143  15.15417       0.9053614 15.25565       1.168344  15.00164       1.432371  0.5179253      2.408286  
1 1 1 10 23 20 o 24.03818 2.414291  7.256255       0.9508120 8.381129       1.151582  4.847019       1.685322  8.545877       4.828582  
1 1 1 10 23 21 o 25.17000 1.607659  6.747091       0.8056242 7.293293       1.211767  6.314429       1.078492  1.732027       3.215317  
1 1 1 10 24 0  o 52.26058 1.246536  27.40781       1.299107  27.21926       1.808680  27.60875       1.867144  0.000000       0.000000  
1 1 1 10 24 1  o 38.70194 1.090394  15.04105       0.8353348 14.58069       1.265306  15.39671       1.112143  -1.056725      2.180789  
1 1 1 10 24 2  o 68.69742 0.9380090 46.98516       1.276918  48.82613       1.958536  45.62405       1.684056  2.326599       1.876018  
1 1 1 10 24 3  o 210.7383 1.839466  444.8055       7.752697  443.8596       10.91765  445.7675       11.01088  -0.4498138     3.678933  
1 1 1 10 24 4  o 138.3815 1.366826  191.1982       3.731733  188.8019       4.877361  194.5816       5.795551  -2.065308      2.733651  
1 1 1 10 24 5  o 81.57188 1.001814  66.74805       1.606459  67.52230       2.094136  65.64088       2.504221  1.161575       2.003627  
1 1 1 10 24 6  o 62.66995 0.8613614 39.29674       1.079084  40.96845       1.533709  37.65797       1.518514  2.640873       1.722723  
1 1 1 10 24 7  o 110.8538 1.302934  122.4346       2.726784  124.8453       4.733509  121.2373       3.335893  1.582069       2.605868  
1 1 1 10 24 8  f 102.5396 1.016398  105.2220       2.084345  106.3156       2.962020  104.1494       2.933605  1.055481       2.032796  
1 1 1 10 24 9  f 123.5920 1.222937  152.9353       2.916329  152.8605       3.669382  153.0634       4.805243  -0.3691864E-01 2.445875  
1 1 1 10 24 10 o 86.99561 1.018045  76.43140       1.720805  78.73529       2.205936  72.85017       2.750292  3.402740       2.036090  
1 1 1 10 24 11 o 55.00378 1.042064  30.24177       1.118959  30.01031       1.431688  30.60509       1.793715  -0.5193672     2.084129  
1 1 1 10 24 12 f 79.17422 1.047764  62.67123       1.648098  61.48063       2.197820  64.20088       2.491170  -1.694588      2.095528  
1 1 1 10 24 13 o 48.76284 1.146573  23.35180       1.035951  22.53753       1.238931  25.24429       1.888775  -2.698189      2.293146  
1 1 1 10 24 14 o 9.555100 2.609229  0.6404409      0.7083424 1.010479       0.8198029 -0.4496102     1.407051  1.323242       5.218458  
1 1 1 10 24 15 o 28.65187 1.236624  7.892443       0.6661567 7.221648       0.7999058 9.410540       1.203355  -3.722322      2.473249  
1 1 1 10 24 16 o 15.43208 2.811842  2.495025       0.8614799 3.179544       1.384993  2.063062       1.100217  3.229016       5.623685  
1 1 1 10 24 17 o 22.44118 1.752401  5.012693       0.7751325 4.226086       1.001405  6.188413       1.224285  -4.261003      3.504802  
1 1 1 10 24 18 o 10.49940 2.797930  0.9706965      0.8013803 1.063304       1.151433  0.8836944      1.116041  0.5278521      5.595860  
1 1 1 10 24 19 f 36.71049 1.644822  14.31745       1.126350  14.64677       1.378306  13.65542       1.954264  1.958118       3.289643  
1 1 1 10 24 20 o 11.97961 2.877901  1.700340       0.8193074 1.535268       1.091057  1.913785       1.240657  -1.065098      5.755802  
1 1 1 10 24 21 o 18.33993 2.475300  4.030379       0.8851915 3.323107       1.237689  4.770971       1.266508  -4.166325      4.950601  
1 1 1 10 25 0  o 38.32637 1.447541  14.83165       1.101017  14.64004       1.598107  15.00477       1.519047  0.000000       0.000000  
1 1 1 10 25 1  o 82.84544 0.9152091 68.65604       1.516166  68.36122       2.122882  68.96299       2.166136  -0.3625031     1.830418  
1 1 1 10 25 2  o 125.0110 1.171036  156.1992       2.925280  152.1444       4.035749  160.6879       4.246211  -3.412628      2.342072  
1 1 1 10 25 3  o 119.6337 1.224469  142.5144       2.883780  139.2863       3.740453  147.2449       4.528047  -3.307907      2.448938  
1 1 1 10 25 4  o 93.16837 1.057380  86.79155       1.935987  86.48936       2.512187  87.23343       3.037923  -0.3877029     2.114759  
1 1 1 10 25 5  o 101.1334 1.012359  102.3006       2.046296  100.9983       2.835030  103.7170       2.956596  -1.341049      2.024718  
1 1 1 10 25 6  o 128.6904 1.457099  166.4794       3.576836  163.7914       6.022639  167.9441       4.445814  -1.670372      2.914198  
1 1 1 10 25 7  o 138.5888 1.269583  192.2096       3.517449  189.3420       4.888879  195.2870       5.064623  -2.138885      2.539165  
1 1 1 10 25 8  o 148.9217 1.349898  222.0576       4.019792  225.9674       5.755044  218.3329       5.617152  2.557449       2.699796  
1 1 1 10 25 9  f 159.4246 1.432881  254.6363       4.568398  257.6692       6.508283  251.6905       6.414125  1.870453       2.865761  
1 1 1 10 25 10 o 103.7876 1.155840  107.9328       2.371541  108.1308       3.127062  107.6647       3.638462  0.2504501      2.311680  
1 1 1 10 25 11 o 37.59332 1.166190  13.86639       0.8210011 13.34121       0.9903491 15.02042       1.468050  -2.197365      2.332380  
1 1 1 10 25 12 o 49.96576 1.123401  25.94136       0.9904169 27.04500       1.168559  23.12657       1.866214  3.991196       2.246803  
1 1 1 10 25 13 o 61.90773 1.105022  38.39752       1.368189  38.39752       1.368189  ?              ?         ?              ?         
1 1 1 10 25 14 o 21.62289 1.632080  4.583956       0.6808634 4.207318       0.8431520 5.289895       1.154323  -2.421074      3.264161  
1 1 1 10 25 15 o 12.64134 2.498325  1.706074       0.6138855 1.750085       0.7203752 1.589344       1.173200  0.3642797      4.996650  
1 1 1 10 25 16 o 11.84773 2.651674  1.315713       0.6937605 0.8943945      0.8619919 2.090501       1.168931  -4.044114      5.303348  
1 1 1 10 25 17 o 26.11036 1.549582  6.785247       0.7978415 5.720960       1.032402  8.363323       1.257140  -4.938103      3.099164  
1 1 1 10 25 18 o 9.933964 2.637926  0.7565824      0.7142222 0.3823383      0.9268898 1.303576       1.120577  -2.849253      5.275853  
1 1 1 10 25 19 o 27.44973 1.645654  7.961374       0.8728371 8.096597       1.108404  7.740642       1.416138  0.9820976      3.291309  
1 1 1 10 25 20 o 22.84496 2.249022  6.107483       0.9324918 6.567022       1.170082  5.307587       1.543731  3.787573       4.498045  
1 1 1 10 25 21 o 12.88791 2.864375  2.254930       0.8203995 2.187078       1.121206  2.333123       1.203612  -0.2859955     5.728749  
1 1 1 10 26 0  o 62.85850 1.222590  39.62494       1.533982  39.96326       2.149155  39.27358       2.190184  0.000000       0.000000  
1 1 1 10 26 1  o 66.58945 0.9441749 44.19831       1.243381  43.29662       1.632670  45.44341       1.918530  -1.606674      1.888350  
1 1 1 10 26 2  o 77.45966 0.9738131 60.19254       1.498073  61.47989       2.015435  58.60315       2.239413  1.861382       1.947626  
1 1 1 10 26 3  o 168.7841 1.630867  285.5350       5.449492  286.5604       7.218632  284.1764       8.309478  0.7465057      3.261733  
1 1 1 10 26 4  o 91.92581 0.9625760 84.49593       1.769028  82.16563       2.461045  86.98718       2.544615  -2.620499      1.925152  
1 1 1 10 26 5  o 60.62529 1.059552  36.84878       1.242888  36.52439       2.029135  37.04356       1.572371  -0.4402237     2.119103  
1 1 1 10 26 6  o 142.8892 1.304158  204.4292       3.726975  205.5285       5.279846  203.3374       5.261677  0.7661133      2.608317  
1 1 1 10 26 7  o 95.06219 0.9806368 90.37738       1.863264  88.73116       2.581169  92.16859       2.692461  -1.804726      1.961274  
1 1 1 10 26 8  o 50.03994 0.9808696 25.06620       0.9701133 25.04040       1.490170  25.08518       1.278028  -0.5168915E-01 1.961739  
1 1 1 10 26 9  o 17.17554 2.136795  3.013913       0.7108199 2.409008       0.9785533 3.689652       1.034261  -3.990777      4.273590  
1 1 1 10 26 10 o 58.80965 1.008893  35.31139       1.127293  36.94442       1.409569  32.41338       1.877750  3.878658       2.017785  
1 1 1 10 26 11 o 130.6690 1.521237  173.1590       3.787448  177.0356       4.719553  166.1460       6.347856  4.343109       3.042473  
1 1 1 10 26 12 o 65.47298 0.9893505 42.99367       1.278672  43.01783       1.678853  42.96028       1.973238  0.7376862E-01  1.978701  
1 1 1 10 26 13 o 40.94127 1.250412  17.45602       0.9358167 18.45823       1.134619  15.32368       1.655006  3.908146       2.500825  
1 1 1 10 26 14 f 15.41853 2.219700  2.572474       0.6099212 2.696529       0.7231853 2.266835       1.135128  1.798472       4.439400  
1 1 1 10 26 15 o 12.12626 2.553965  1.483086       0.6197359 1.384226       0.7343626 1.727709       1.155179  -1.428093      5.107930  
1 1 1 10 26 16 o 32.93437 1.387199  11.01629       0.9129092 10.40712       1.281625  11.64371       1.300683  -1.869740      2.774397  
1 1 1 10 26 17 o 15.72218 2.998856  2.723429       0.9573843 2.304781       1.248336  3.321360       1.491875  -2.741475      5.997712  
1 1 1 10 26 18 o 7.249237 2.398339  -0.8681319     0.8107963 -0.9238707     0.9879459 -0.7531388     1.419026  -1.779248      4.796678  
1 1 1 10 26 19 o 22.29514 1.921428  5.509264       0.8245263 6.287893       1.089853  4.467117       1.260862  4.317158       3.842856  
1 1 1 10 26 20 o 14.04778 2.885749  2.512588       0.8544049 2.498405       1.134098  2.531205       1.299302  0.1657410      5.771499  
1 1 1 10 26 21 o 23.59916 2.366877  6.727094       1.109947  6.040917       1.577694  7.399541       1.561830  -2.926916      4.733754  
1 1 1 10 27 0  o 147.1578 2.360523  217.7927       6.528236  215.8092       11.32281  218.7803       7.989933  0.000000       0.000000  
1 1 1 10 27 1  o 60.67734 0.9681408 36.79528       1.163701  37.16914       1.776514  36.51429       1.540126  0.5340996      1.936282  
1 1 1 10 27 2  o 85.62879 1.106989  73.33870       1.895182  75.64829       2.719834  71.15901       2.642234  2.619217       2.213977  
1 1 1 10 27 3  o 40.96341 1.178484  16.64447       0.9243576 17.31803       1.564703  16.28339       1.145637  1.250507       2.356969  
1 1 1 10 27 4  o 114.3903 1.566374  0.000000       0.000000  ?              ?         130.9656       3.583558  ?              ?         
1 1 1 10 27 5  o 72.70724 0.9647899 53.02660       1.389942  51.93662       2.102815  53.87233       1.852284  -1.337509      1.929580  
1 1 1 10 27 6  o 67.49715 0.9539351 45.78860       1.278211  43.80973       1.904141  47.41170       1.724507  -2.673241      1.907870  
1 1 1 10 27 7  o 117.7490 1.222814  137.4994       2.815023  132.7655       3.590263  145.0540       4.535456  -5.180222      2.445629  
1 1 1 10 27 8  o 104.6226 1.048885  109.5717       2.194474  109.0488       3.076425  110.1134       3.131209  -0.5067444     2.097770  
1 1 1 10 27 9  o 15.51849 2.233236  2.574921       0.6879200 3.883302       0.9704431 1.253392       0.9753070 8.295744       4.466473  
1 1 1 10 27 10 o 27.27137 1.868357  7.680696       0.8654236 7.866580       0.9968492 7.111872       1.743800  1.470297       3.736715  
1 1 1 10 27 11 o 45.54619 1.015074  20.73671       0.8974263 20.53882       1.136806  21.06400       1.461979  -0.5461845     2.030148  
1 1 1 10 27 12 o 38.04895 1.106685  14.00591       0.7971333 13.00684       0.9658552 16.14011       1.411668  -4.065109      2.213369  
1 1 1 10 27 13 o 21.51040 1.693623  4.763654       0.6608652 4.887330       0.7899879 4.475331       1.206203  1.053511       3.387247  
1 1 1 10 27 14 o 10.37011 2.339309  1.125824       0.6168931 1.666593       0.7266006 -0.2704143     1.167534  4.275172       4.678617  
1 1 1 10 27 15 o 50.95338 0.9776902 25.18073       0.9229364 23.74121       1.098825  28.62892       1.700657  -4.660515      1.955380  
1 1 1 10 27 16 o 23.61768 1.749433  5.939784       0.7821310 6.591562       0.9963351 4.893172       1.262549  3.723312       3.498866  
1 1 1 10 27 17 o 10.10402 2.766837  0.8114095      0.8112128 1.199414       0.9810267 -0.2754303E-01 1.442551  1.492637       5.533674  
1 1 1 10 27 18 o 12.20646 2.968018  1.687937       0.8748925 1.789051       1.153111  1.550765       1.343069  0.5159531      5.936035  
1 1 1 10 27 19 o 26.66347 1.667953  7.641763       0.8712014 8.160794       1.151321  6.946429       1.332590  2.510494       3.335906  
1 1 1 10 27 20 o 17.38585 2.497898  3.633145       0.8378195 3.384865       1.203033  3.866966       1.167478  -1.485346      4.995797  
1 1 1 10 28 0  o 7.988220 3.619701  -0.2053617     1.140895  1.258645       2.133410  -0.7917409     1.350181  0.000000       0.000000  
1 1 1 10 28 1  o 42.01389 1.118385  17.62449       0.9195154 17.46268       1.181324  17.87325       1.464669  -0.4806900     2.236770  
1 1 1 10 28 2  o 116.1474 1.209010  134.5408       2.773725  138.1698       4.298258  131.9512       3.630922  2.656799       2.418021  
1 1 1 10 28 3  o 44.91525 1.043886  20.04151       0.9283514 21.19991       1.433271  19.20426       1.218497  2.215832       2.087772  
1 1 1 10 28 4  o 39.88538 1.152454  16.24121       0.8973887 17.77451       1.184534  14.17573       1.374817  4.517204       2.304907  
1 1 1 10 28 5  o 57.82514 0.8958480 33.41619       1.035205  32.41790       1.429096  34.51834       1.501594  -1.814278      1.791696  
1 1 1 10 28 6  o 79.45435 0.9272875 63.04085       1.470670  61.08982       2.006555  65.30545       2.161793  -2.648170      1.854575  
1 1 1 10 28 7  o 155.6529 1.413356  242.6393       4.398572  247.4396       6.314696  238.1151       6.130436  2.986206       2.826712  
1 1 1 10 28 8  f 99.25429 1.108481  98.43435       2.168649  97.36308       2.828881  99.96127       3.377363  -1.283424      2.216962  
1 1 1 10 28 9  o 27.53743 1.430813  7.507636       0.7789392 6.069098       1.042588  9.325107       1.171887  -5.900576      2.861625  
1 1 1 10 28 10 o 35.88500 1.420921  11.96896       0.9078876 10.94816       1.045996  15.08702       1.828110  -5.682789      2.841842  
1 1 1 10 28 11 o 32.66667 1.319201  10.77712       0.8456237 11.00791       1.101267  10.44554       1.320023  0.8901978      2.638403  
1 1 1 10 28 12 o 19.09167 1.866997  3.590366       0.6990566 3.216596       0.8889781 4.195979       1.131583  -2.508360      3.733993  
1 1 1 10 28 13 o 44.15939 1.067132  19.81047       0.9204260 20.60482       1.194457  18.64928       1.444164  2.262489       2.134264  
1 1 1 10 28 14 o 14.11970 2.416333  2.137505       0.6377012 2.157271       0.7648966 2.092449       1.154829  0.3527908      4.832666  
1 1 1 10 28 15 o 12.91301 2.439140  1.925505       0.6416448 2.257384       0.7711127 1.178473       1.156905  3.364003       4.878279  
1 1 1 10 28 16 o 21.20202 2.767108  4.038657       0.9447834 3.447900       1.045234  6.676599       2.208724  -6.014523      5.534216  
1 1 1 10 28 17 o 14.52942 2.831102  2.309025       0.8346419 2.044180       1.069184  2.722212       1.335454  -1.940127      5.662204  
1 1 1 10 28 18 o 14.72824 2.867344  2.774134       0.8796740 3.183694       1.049483  1.806676       1.612995  4.154985       5.734688  
1 1 1 10 28 19 o 23.98850 1.922568  6.283981       0.9116917 7.533404       1.322135  5.151313       1.258845  4.857004       3.845136  
1 1 1 10 28 20 o 35.47004 1.511676  13.26582       1.048717  14.68926       1.698775  12.38928       1.333060  2.611305       3.023352  
1 1 1 10 29 0  o 196.4134 3.011925  382.8850       10.98958  400.4318       19.74863  375.0141       13.22667  0.000000       0.000000  
1 1 1 10 29 1  o 196.9066 2.008548  388.0358       7.895436  402.2872       11.59394  375.7109       10.78190  6.705582       4.017097  
1 1 1 10 29 2  o 101.7324 1.350194  103.7064       2.682788  103.3222       4.278414  103.9553       3.443987  -0.3413086     2.700387  
1 1 1 10 29 3  o 30.11152 1.369970  9.172210       0.8132027 9.724611       1.083132  8.458557       1.231112  2.107962       2.739941  
1 1 1 10 29 4  o 105.3820 1.141235  111.3406       2.385480  112.4806       3.184806  109.8837       3.600461  1.246559       2.282470  
1 1 1 10 29 5  o 36.38968 1.213716  13.43263       0.8671009 14.33479       1.146540  12.22716       1.325331  2.902958       2.427432  
1 1 1 10 29 6  o 127.1181 1.295136  161.9985       3.260495  162.8950       4.325858  160.8194       4.961243  0.8447876      2.590272  
1 1 1 10 29 7  o 62.42934 0.9222679 39.05870       1.150122  40.73511       1.613067  37.32518       1.640312  2.732033       1.844536  
1 1 1 10 29 8  o 63.73312 0.9049115 40.64475       1.152659  40.00021       1.595732  41.34798       1.666802  -1.053787      1.809823  
1 1 1 10 29 9  o 93.04472 1.263752  85.50232       2.134232  83.72728       2.520711  89.99644       4.010919  -3.246628      2.527503  
1 1 1 10 29 10 o 25.23803 1.356884  6.424314       0.6814494 5.700942       0.9658168 7.141424       0.9616267 -2.854330      2.713769  
1 1 1 10 29 11 o 39.21930 1.247998  15.49078       0.9746245 15.89933       1.328290  15.01430       1.434482  1.142403       2.495996  
1 1 1 10 29 12 o 47.37118 1.065032  22.76801       0.9936357 24.08827       1.319594  21.03926       1.510001  3.245682       2.130064  
1 1 1 10 29 13 o 30.31623 1.314323  9.441476       0.7378888 9.730886       0.8969086 8.835328       1.298020  1.577530       2.628646  
1 1 1 10 29 14 o 30.66163 1.323243  9.577346       0.7437215 9.689880       0.8922314 9.321142       1.346247  0.7319450      2.646485  
1 1 1 10 29 15 o 38.74108 1.447306  14.88218       1.038229  14.28471       1.240330  16.28073       1.897653  -2.306026      2.894612  
1 1 1 10 29 16 o 37.64331 1.222929  13.89156       0.8866370 12.67886       1.094596  16.20538       1.511970  -4.500572      2.445858  
1 1 1 10 29 17 o 9.241253 2.626553  0.6148439      0.6891664 0.6823589      0.8054385 0.4303225      1.331544  -0.8074408     5.253106  
1 1 1 10 29 18 o 7.650812 2.423866  -0.2048684     0.7604896 -0.6177391E-01 0.9926958 -0.4081546     1.183201  -0.9660673E-01 4.847732  
1 1 1 10 29 19 o 11.31675 2.792781  1.309426       0.8699228 0.1717206      1.203804  2.552930       1.258533  -5.666302      5.585562  
1 1 1 10 29 20 o 13.11528 3.242895  2.527399       1.049830  2.685811       1.524484  2.384513       1.447847  0.6236525      6.485790  
1 1 1 10 30 0  f 81.29776 1.368591  66.16686       2.219280  67.85285       3.241830  64.67985       3.044524  0.000000       0.000000  
1 1 1 10 30 1  o 23.54305 1.769278  5.594737       0.8266027 5.178840       1.218774  5.949005       1.124853  -1.640560      3.538556  
1 1 1 10 30 2  o 61.85741 0.9438180 38.28415       1.167255  37.96892       1.627078  38.61840       1.675481  -0.5235825     1.887636  
1 1 1 10 30 3  o 73.08022 1.017113  53.39149       1.470170  53.89700       2.258030  53.01951       1.936970  0.5899048      2.034226  
1 1 1 10 30 4  o 89.69954 1.062132  80.69907       1.887887  79.38412       2.858967  81.71579       2.513938  -1.311913      2.124263  
1 1 1 10 30 5  o 120.8206 1.259009  146.5688       3.020992  142.9551       4.518290  149.4903       4.062604  -2.724472      2.518019  
1 1 1 10 30 6  o 59.47668 1.003276  35.47322       1.183245  34.95279       1.787405  35.87920       1.578686  -0.7870445     2.006553  
1 1 1 10 30 7  o 13.27079 2.631243  1.509044       0.7725061 3.076564       1.267232  0.5820486      0.9745148 7.689816       5.262487  
1 1 1 10 30 8  o 71.81881 1.098232  51.70318       1.576425  54.13356       2.238274  49.31095       2.220633  3.356232       2.196464  
1 1 1 10 30 9  o 91.64370 1.061397  83.37541       1.909598  88.51382       3.041911  80.03339       2.453219  4.572372       2.122795  
1 1 1 10 30 10 o 28.98606 1.232830  8.412868       0.7087993 8.643849       1.080095  8.238157       0.9393622 0.6816578      2.465659  
1 1 1 10 30 11 o 14.71775 2.399381  2.506311       0.7110113 3.207664       0.8853264 1.232134       1.193301  6.187304       4.798763  
1 1 1 10 30 12 o 33.48613 1.225669  11.41817       0.7793940 11.69169       0.9681649 10.91450       1.313781  1.236572       2.451338  
1 1 1 10 30 13 o 57.09772 1.125879  33.84509       1.156087  35.25571       1.379810  30.52195       2.117817  4.315678       2.251759  
1 1 1 10 30 14 o 46.53536 1.126899  21.91279       1.045485  22.86962       1.443551  20.85723       1.516199  2.182888       2.253799  
1 1 1 10 30 15 o 27.22955 1.567619  6.705580       0.7495930 5.890157       0.8529060 9.473041       1.571268  -6.239305      3.135237  
1 1 1 10 30 16 o 27.76611 1.774581  7.749293       0.8035525 7.579477       0.9014384 8.406292       1.773083  -0.8918839     3.549161  
1 1 1 10 30 17 o 45.20877 1.111574  20.98243       0.9381936 21.16232       1.142292  20.60952       1.644628  0.9553070      2.223147  
1 1 1 10 30 18 o 12.47685 2.801951  1.796541       0.7805028 1.430960       1.013058  2.330479       1.224299  -2.611918      5.603902  
1 1 1 10 30 19 f 21.80867 2.158747  5.332149       0.8790565 7.494605       1.323206  3.623778       1.176102  8.826946       4.317494  
1 1 1 10 31 0  o 6.025144 2.897979  -0.7110921     1.021803  -0.2737882     1.438491  -1.156461      1.451696  0.000000       0.000000  
1 1 1 10 31 1  o 70.99416 1.010591  50.35484       1.420635  49.78983       1.876066  51.11432       2.175103  -0.9228363     2.021182  
1 1 1 10 31 2  o 64.62859 0.9438158 41.84208       1.218723  42.94576       1.700771  40.67727       1.747237  1.756489       1.887632  
1 1 1 10 31 3  o 59.30549 0.9536721 35.20349       1.130986  36.00629       1.602981  34.40771       1.595955  1.347519       1.907344  
1 1 1 10 31 4  o 95.40381 1.005829  91.09698       1.919031  92.49521       2.734856  89.74076       2.693457  1.442062       2.011657  
1 1 1 10 31 5  o 102.9524 1.057104  106.0199       2.175252  103.1731       3.011440  109.1257       3.145477  -2.885185      2.114208  
1 1 1 10 31 6  o 36.39745 1.155159  13.30369       0.8376948 13.66456       1.145235  12.88844       1.228502  1.071167       2.310319  
1 1 1 10 31 7  f 81.19252 1.038777  66.11693       1.663061  66.43791       2.179767  65.66982       2.572594  0.4994888      2.077555  
1 1 1 10 31 8  o 74.82707 0.9240046 56.09851       1.382791  56.31352       1.952938  55.88235       1.958196  0.2884903      1.848009  
1 1 1 10 31 9  o 70.74861 0.9787776 49.91078       1.368520  51.95589       2.122405  48.45541       1.790427  2.441238       1.957555  
1 1 1 10 31 10 o 43.85982 0.9344799 19.29550       0.8191923 19.46001       1.140991  19.12049       1.176867  0.3907967      1.868960  
1 1 1 10 31 11 o 23.18137 1.342432  5.423669       0.6188705 4.716812       0.8672780 6.157008       0.8833740 -3.103266      2.684864  
1 1 1 10 31 12 o 50.58173 1.166104  25.71225       1.046242  25.63437       1.223352  25.92432       2.018773  -0.1089211     2.332209  
1 1 1 10 31 13 o 36.89215 1.388528  13.79598       1.021207  13.46721       1.495100  14.08351       1.398177  -0.8648682     2.777055  
1 1 1 10 31 14 o 21.25581 1.817827  4.370108       0.7147415 3.973183       0.8455304 5.363762       1.337805  -3.013290      3.635654  
1 1 1 10 31 15 o 35.76727 1.538877  13.28209       0.9669251 13.47823       1.130972  12.74925       1.864099  1.426720       3.077755  
1 1 1 10 31 16 o 48.03156 1.128216  23.25684       1.033507  22.89168       1.277432  23.94877       1.758443  -0.8764458     2.256432  
1 1 1 10 31 17 o 26.02860 1.578338  7.065256       0.7654381 7.014457       0.9278271 7.173498       1.354367  0.1372108      3.156676  
1 1 1 10 31 18 o 20.76926 2.073281  4.786647       0.8611156 4.695681       1.213543  4.878901       1.222105  -0.4250660     4.146562  
1 1 1 10 31 19 o 11.74160 3.125114  1.670652       1.015985  2.459944       1.526550  1.043035       1.361255  3.101784       6.250228  
1 1 1 10 32 0  o 90.63023 1.431025  82.34505       2.590914  82.36755       3.649100  82.32217       3.679299  0.000000       0.000000  
1 1 1 10 32 1  o 108.4252 1.097540  117.6607       2.379520  119.7224       3.408091  115.6996       3.323791  1.851837       2.195079  
1 1 1 10 32 2  o 76.88890 1.034752  58.85183       1.571337  61.23334       2.442742  57.17076       2.052315  2.627098       2.069504  
1 1 1 10 32 3  o 21.57283 1.835939  4.585104       0.7812596 4.185163       1.008918  5.184078       1.234700  -2.299019      3.671877  
1 1 1 10 32 4  o 64.25935 0.9897673 41.22376       1.259543  40.51546       1.661836  42.17988       1.930794  -1.283291      1.979535  
1 1 1 10 32 5  o 92.80313 1.078609  85.60258       1.967449  82.78587       2.537510  89.84813       3.115337  -3.770676      2.157218  
1 1 1 10 32 6  o 81.65912 1.125570  67.77805       1.772462  70.65991       2.255030  63.11968       2.867035  4.661148       2.251141  
1 1 1 10 32 7  o 24.01193 1.599159  5.872630       0.7542168 7.091694       1.061921  4.631731       1.071389  5.123501       3.198317  
1 1 1 10 32 8  o 54.69159 0.9521558 29.96616       1.036078  29.79066       1.393941  30.18280       1.548722  -0.3441620     1.904312  
1 1 1 10 32 9  o 53.76006 0.9928950 28.99364       1.067117  28.72489       1.527240  29.25001       1.491651  -0.4921417     1.985790  
1 1 1 10 32 10 o 23.33341 1.470345  5.508449       0.6834411 5.950294       0.9546003 5.043803       0.9789219 1.947121       2.940691  
1 1 1 10 32 11 o 26.22470 1.315424  6.926754       0.6870397 7.070182       1.023916  6.809294       0.9265981 0.4739437      2.630848  
1 1 1 10 32 12 o 9.181419 2.731660  0.2174845      0.8160871 0.2475222      1.002098  0.1583336      1.406236  -1.168426      5.463320  
1 1 1 10 32 13 o 43.31060 1.130489  18.83417       0.9270969 18.63909       1.137967  19.21924       1.598749  -0.5409584     2.260978  
1 1 1 10 32 14 o 36.21490 2.145786  14.43432       0.9701328 14.69932       1.034799  12.51063       2.788042  3.964512       4.291572  
1 1 1 10 32 15 o 49.35217 1.065497  25.05682       0.9947855 25.96329       1.235396  23.38513       1.677677  2.791439       2.130995  
1 1 1 10 32 16 o 12.97826 2.803988  1.903005       0.7642611 1.804589       0.9374463 2.098060       1.319746  -0.8130722     5.607975  
1 1 1 10 32 17 o 16.47198 2.281847  3.573716       0.7024942 4.706454       0.8806111 1.591275       1.164983  9.483239       4.563694  
1 1 1 10 32 18 o 17.07648 2.565738  3.523566       0.8688690 4.401699       1.225103  2.634850       1.232462  5.343570       5.131475  
1 1 1 10 32 19 o 13.69619 3.635452  2.266466       1.150578  5.238636       2.509890  1.475696       1.294622  5.875543       7.270904  
1 1 1 10 33 0  o 18.55807 3.537582  4.143905       1.138734  3.456301       1.579461  4.888178       1.643258  0.000000       0.000000  
1 1 1 10 33 1  o 93.83694 1.029160  88.15034       1.931186  87.19107       2.703410  89.14996       2.759680  -1.041267      2.058320  
1 1 1 10 33 2  o 54.03546 1.044179  29.34082       1.124412  27.55999       1.626975  30.96910       1.555734  -3.157928      2.088357  
1 1 1 10 33 3  o 126.9319 1.217208  161.4413       3.089727  159.6613       4.331341  163.2854       4.408754  -1.422668      2.434417  
1 1 1 10 33 4  o 121.4437 1.175743  147.7892       2.854838  145.9220       3.978643  149.7709       4.098736  -1.575935      2.351485  
1 1 1 10 33 5  o 76.30641 1.181272  57.41690       1.641108  56.10773       1.941522  60.69292       3.071276  -2.918816      2.362544  
1 1 1 10 33 6  o 94.53554 1.013691  89.48389       1.915535  92.14793       2.765862  87.02830       2.655461  2.699158       2.027381  
1 1 1 10 33 7  o 42.68143 0.9821847 18.24860       0.8380389 17.68660       1.164385  18.85258       1.207100  -1.361866      1.964369  
1 1 1 10 33 8  o 73.15533 0.9650697 53.71619       1.401773  53.23661       2.108318  54.09617       1.876657  -0.6110077     1.930139  
1 1 1 10 33 9  o 25.70615 1.336673  6.649965       0.6870564 6.673798       0.9829996 6.627203       0.9606740 0.8684158E-01  2.673345  
1 1 1 10 33 10 o 37.22710 1.109501  13.84037       0.8146085 14.53483       1.274947  13.36129       1.058950  1.534969       2.219002  
1 1 1 10 33 11 o 62.13848 1.107943  38.52911       1.298889  39.99564       2.265969  37.81142       1.585161  1.600170       2.215887  
1 1 1 10 33 12 o 59.25078 1.227543  35.05533       1.238969  34.70810       1.416696  36.18463       2.554899  -0.9442215     2.455086  
1 1 1 10 33 13 o 40.94914 1.364317  15.95635       0.9444529 15.09979       1.066287  19.07522       2.034661  -4.480278      2.728635  
1 1 1 10 33 14 o 30.32808 1.390214  9.017048       0.7892160 8.389727       0.9464610 10.44870       1.429802  -3.141233      2.780427  
1 1 1 10 33 15 o 24.84032 1.629110  6.208558       0.7893904 5.754793       0.9965560 6.972795       1.293304  -2.266403      3.258220  
1 1 1 10 33 16 o 38.54500 1.463849  16.15729       0.9760347 16.97541       1.145646  13.99153       1.864009  4.543999       2.927698  
1 1 1 10 33 17 f 34.44799 1.334693  12.42375       0.8868402 12.66084       1.123480  12.03176       1.444556  1.253113       2.669387  
1 1 1 10 33 18 o 18.70635 3.401432  4.941678       1.243799  4.325228       2.454723  5.154617       1.442714  -4.686808      6.802863  
1 1 1 10 34 0  f 24.72221 2.534495  6.377299       1.200506  6.560741       1.640421  6.165757       1.761593  0.000000       0.000000  
1 1 1 10 34 1  o 73.96613 0.9593835 54.51471       1.415578  59.27405       2.091833  50.49388       1.922704  5.925461       1.918767  
1 1 1 10 34 2  o 50.97704 0.9996204 26.03319       1.018764  26.02852       1.421185  26.03813       1.461146  -0.6881714E-02 1.999241  
1 1 1 10 34 3  o 69.03317 1.027760  47.68417       1.402961  47.32415       1.846977  48.17525       2.157101  -0.5956955     2.055521  
1 1 1 10 34 4  o 88.61883 1.236383  79.27158       2.051505  80.23804       2.503886  77.29781       3.578263  1.746811       2.472765  
1 1 1 10 34 5  o 54.21715 0.9705009 29.48044       1.051098  31.20212       1.488702  27.76902       1.484262  3.165707       1.941002  
1 1 1 10 34 6  o 81.08029 0.9540795 65.90488       1.547136  65.91534       2.185296  65.89436       2.190675  0.1343536E-01  1.908159  
1 1 1 10 34 7  o 24.64429 1.508199  6.098484       0.7416279 6.718292       1.076761  5.539079       1.022947  2.383932       3.016399  
1 1 1 10 34 8  o 55.45836 0.9629645 30.69242       1.055673  31.89347       1.635138  29.83398       1.382383  1.827072       1.925929  
1 1 1 10 34 9  o 33.40829 1.173099  11.30973       0.7703222 10.74114       1.188956  11.72108       1.011284  -1.497517      2.346198  
1 1 1 10 34 10 o 36.29646 1.058812  13.25959       0.7680292 13.06352       1.103171  13.44401       1.069907  -0.5307808     2.117624  
1 1 1 10 34 11 o 49.74229 0.9674646 24.84612       0.9585420 25.26106       1.426579  24.50461       1.294231  0.7333450      1.934929  
1 1 1 10 34 12 o 46.15834 1.813662  22.32959       1.166073  22.54306       1.263000  21.09674       3.035179  2.330769       3.627324  
1 1 1 10 34 13 o 21.99370 1.898584  5.019896       0.8227399 5.246723       1.090577  4.720281       1.253401  1.286158       3.797168  
1 1 1 10 34 14 o 10.83365 2.729435  1.130771       0.7294312 1.072621       0.9223295 1.227876       1.191881  -0.8949890     5.458871  
1 1 1 10 34 15 o 45.31678 1.155043  20.55581       0.9812614 19.79115       1.186014  22.21499       1.747039  -2.304852      2.310086  
1 1 1 10 34 16 o 27.05099 1.818514  7.675049       0.8807887 7.528856       1.035016  8.058897       1.677115  -0.1903706     3.637028  
1 1 1 10 34 17 o 14.45351 2.764001  2.539160       0.8229714 2.008389       1.093459  3.232642       1.249876  -3.444036      5.528001  
1 1 1 10 34 18 o 9.684753 2.864078  0.6305126      1.027905  1.727739       1.374872  -0.7600864     1.547800  3.545813       5.728155  
1 1 1 10 35 0  o 95.74063 1.810479  92.12077       3.243809  92.08520       3.951415  92.19427       5.680544  0.000000       0.000000  
1 1 1 10 35 1  o 78.43883 1.241757  61.21181       1.793554  60.45381       2.145054  62.97312       3.269782  -1.513885      2.483515  
1 1 1 10 35 2  o 53.83971 0.9885386 29.03261       1.063992  29.40918       1.531209  28.68102       1.479544  0.6726112      1.977077  
1 1 1 10 35 3  o 32.23848 1.456170  10.63090       0.9159672 11.47734       1.201750  9.457475       1.414953  3.157446       2.912341  
1 1 1 10 35 4  o 56.63507 0.9436560 32.14860       1.068856  32.42213       1.517232  31.87910       1.506011  0.4784355      1.887312  
1 1 1 10 35 5  o 111.2160 1.349356  122.9990       2.816834  128.1762       4.969642  120.5484       3.419111  3.221558       2.698713  
1 1 1 10 35 6  f 11.94142 2.804936  1.420163       0.7778385 0.9070184      1.366221  1.666268       0.9461545 -1.359175      5.609871  
1 1 1 10 35 7  o 21.38625 1.703870  4.600680       0.7181360 4.727393       1.121669  4.512661       0.9348590 0.4634666      3.407740  
1 1 1 10 35 8  o 8.948101 2.434512  0.5490177      0.6167029 0.3878621      0.8810828 0.7037995      0.8634830 -0.8094959     4.869024  
1 1 1 10 35 9  o 30.95972 1.129098  9.665014       0.6978732 10.16924       0.9774359 9.140681       0.9967304 1.665110       2.258196  
1 1 1 10 35 10 o 44.41239 1.012159  19.86221       0.8973509 20.12311       1.236431  19.57184       1.304385  0.6352959      2.024318  
1 1 1 10 35 11 o 33.85937 1.327567  11.64127       0.8655810 11.76134       1.089704  11.43597       1.424847  0.5835419      2.655134  
1 1 1 10 35 12 o 34.08686 1.102894  11.72911       0.7517149 11.51525       1.049562  11.95435       1.077146  -0.6353569     2.205789  
1 1 1 10 35 13 o 31.11400 1.441416  10.09649       0.8517332 10.60778       1.067455  9.200575       1.413016  2.444473       2.882833  
1 1 1 10 35 14 o 12.48012 2.747201  1.721532       0.7502149 1.876176       0.9246252 1.423572       1.283449  1.124527       5.494402  
1 1 1 10 35 15 o 11.13634 2.730873  1.141799       0.7171078 0.6799107      0.8672546 2.140268       1.275104  -4.489337      5.461745  
1 1 1 10 35 16 o 8.380821 2.642341  0.2369346E-01  0.8021823 0.8005618E-01  0.9273535 -0.1438409     1.598826  -1.571010      5.284682  
1 1 1 10 35 17 o 33.37316 1.904008  12.07716       1.258790  10.17904       1.668788  14.58292       1.917385  -6.122650      3.808016  
1 1 1 10 35 18 o 13.53624 3.027438  2.819075       0.9782600 3.199920       1.103448  1.420536       2.114535  4.804794       6.054876  
1 1 1 10 36 0  o 95.56210 1.463579  91.62223       2.793065  94.49300       4.023746  88.95271       3.880147  0.000000       0.000000  
1 1 1 10 36 1  o 65.09109 1.053650  42.80996       1.352998  44.67102       1.795646  40.36554       2.057913  3.332676       2.107299  
1 1 1 10 36 2  o 61.18423 1.062346  37.55664       1.277241  37.59000       1.659034  37.50808       2.001318  0.1014633      2.124693  
1 1 1 10 36 3  o 60.51471 0.9948916 36.76576       1.196852  36.31592       1.787846  37.13106       1.611124  -0.6909790     1.989783  
1 1 1 10 36 4  o 62.86813 0.9685514 39.73187       1.212064  38.52338       1.787945  40.75952       1.648740  -1.792507      1.937103  
1 1 1 10 36 5  o 10.01526 2.529188  0.8366461      0.6494138 0.5320244      0.8864006 1.189619       0.9541575 -2.110518      5.058375  
1 1 1 10 36 6  o 9.672285 2.489492  0.7846350      0.6300605 0.5655249      0.9307000 0.9700074      0.8560534 -0.9838657     4.978984  
1 1 1 10 36 7  o 58.62967 0.9047654 34.45318       1.060365  33.46776       1.470808  35.51967       1.530115  -1.742363      1.809531  
1 1 1 10 36 8  f 83.86929 1.027067  70.98891       1.711847  73.40352       2.318442  68.09461       2.538305  3.206223       2.054133  
1 1 1 10 36 9  o 77.02621 1.007733  59.69699       1.537719  59.68741       2.039402  59.70961       2.340984  0.5109406E-01  2.015466  
1 1 1 10 36 10 o 18.25694 1.831386  3.584491       0.6230752 2.730308       0.9437772 4.244427       0.8295549 -4.425417      3.662772  
1 1 1 10 36 11 o 42.50774 1.058181  18.25907       0.8980029 18.81885       1.245877  17.65379       1.295513  1.385330       2.116363  
1 1 1 10 36 12 o 26.98421 1.626458  7.284942       0.8155303 7.927027       1.478255  7.004020       0.9777919 1.451023       3.252915  
1 1 1 10 36 13 o 20.99144 2.077146  4.596884       0.8437054 4.528849       1.064368  4.711907       1.383952  -0.1744690     4.154293  
1 1 1 10 36 14 o 27.23032 1.678902  7.787812       0.8835955 7.884238       1.120748  7.629434       1.436355  0.7718563      3.357805  
1 1 1 10 36 15 o 21.47832 2.213485  5.167689       0.9082483 5.757010       1.227083  4.453638       1.350713  3.496159       4.426970  
1 1 1 10 36 16 o 24.55073 2.035999  6.734244       0.9872874 7.568318       1.366944  5.824642       1.427494  3.663303       4.071999  
1 1 1 10 36 17 o 7.931615 2.533076  -0.1035195     0.8410048 -0.6428296E-01 1.079556  -0.1640922     1.341340  -0.5765529     5.066151  
1 1 1 10 37 0  o 79.21008 1.935227  63.02762       3.061728  63.02762       3.061728  63.02762       3.061728  0.000000       0.000000  
1 1 1 10 37 1  o 8.524117 2.425823  0.2075458      0.6682532 0.7802651      0.9408133 -0.3756141     0.9493499 2.593641       4.851646  
1 1 1 10 37 2  o 67.57187 0.9435199 45.73745       1.274116  46.82418       1.846105  44.74898       1.760673  1.527061       1.887040  
1 1 1 10 37 3  o 58.36760 1.018673  34.32809       1.182982  32.25077       1.729990  36.15255       1.621276  -3.354156      2.037347  
1 1 1 10 37 4  o 39.57260 1.009282  15.59636       0.7958450 17.32605       1.185518  14.17743       1.073753  3.965183       2.018564  
1 1 1 10 37 5  o 13.57834 2.516187  1.874956       0.7064909 1.246290       0.9378960 2.699579       1.074170  -4.754182      5.032375  
1 1 1 10 37 6  o 37.34248 1.131983  14.07838       0.8417400 15.26565       1.175109  12.82723       1.206304  3.270214       2.263966  
1 1 1 10 37 7  o 48.06039 0.9636376 23.21648       0.9258858 22.88540       1.322268  23.53498       1.296901  -0.6802673     1.927275  
1 1 1 10 37 8  o 37.41152 1.085644  14.06910       0.8114790 14.73808       1.180352  13.46953       1.117440  1.680710       2.171289  
1 1 1 10 37 9  o 56.15940 0.9270783 31.69333       1.041050  32.28035       1.491732  31.13597       1.453543  1.011162       1.854157  
1 1 1 10 37 10 o 9.603357 2.405926  0.5977006      0.6719329 1.567723       0.9296524 -0.4633506     0.9722947 5.025327       4.811852  
1 1 1 10 37 11 o 27.06008 1.468821  7.466134       0.7876695 7.318889       1.190337  7.580830       1.050574  -0.5421524     2.937642  
1 1 1 10 37 12 o 41.28424 1.188796  16.96567       0.9426306 18.43850       1.598053  16.17977       1.167338  2.552170       2.377591  
1 1 1 10 37 13 f 53.40599 1.084146  28.97570       1.117514  29.16880       1.410117  28.64967       1.832365  0.6711731      2.168291  
1 1 1 10 37 14 o 13.81025 2.739408  2.270312       0.7725816 2.352712       0.9611309 2.119853       1.298751  1.005359       5.478816  
1 1 1 10 37 15 o 21.91793 2.254503  5.267496       0.9656799 4.991842       1.229859  5.710686       1.559440  -1.060869      4.509006  
1 1 1 10 37 16 o 18.05396 2.792591  4.159953       0.9552093 4.452494       1.178640  3.600094       1.630521  3.715750       5.585183  
1 1 1 10 37 17 o 11.46074 2.931399  1.339718       0.8975540 0.3477963      1.114177  3.173401       1.514877  -6.396358      5.862798  
1 1 1 10 38 0  o 17.45195 3.365115  3.688341       1.012860  3.633198       1.400195  3.748866       1.466935  0.000000       0.000000  
1 1 1 10 38 1  o 78.95683 0.9580005 62.51902       1.512634  61.63204       2.119386  63.43996       2.159554  -1.140343      1.916001  
1 1 1 10 38 2  o 71.87099 1.184085  52.05120       1.581959  51.51860       2.807176  52.29905       1.915000  -0.6715469     2.368170  
1 1 1 10 38 3  o 53.33236 1.062693  28.54858       1.114058  28.62870       1.745495  28.49350       1.447146  0.8586884E-01  2.125387  
1 1 1 10 38 4  o 46.85969 1.038173  21.75048       0.9528726 23.48531       1.533439  20.65925       1.216179  2.970768       2.076347  
1 1 1 10 38 5  o 12.94652 2.664683  1.808721       0.7461952 1.284522       1.176099  2.161912       0.9653855 -2.552627      5.329367  
1 1 1 10 38 6  o 29.33437 1.178627  8.644983       0.6889007 8.425406       0.9298205 8.912195       1.025731  -0.8090038     2.357254  
1 1 1 10 38 7  o 30.62559 1.327513  9.504682       0.7988449 9.344901       1.246284  9.616108       1.040764  -0.5013485     2.655026  
1 1 1 10 38 8  o 41.07472 1.147447  17.07351       0.9347541 16.44376       1.400969  17.57881       1.254937  -1.417702      2.294894  
1 1 1 10 38 9  o 54.24528 1.090737  29.71734       1.179585  29.12193       1.728685  30.23612       1.613624  -1.058781      2.181474  
1 1 1 10 38 10 o 45.13337 1.113477  20.72539       0.9776534 19.89067       1.559274  21.26610       1.254970  -1.619228      2.226954  
1 1 1 10 38 11 o 24.75529 1.496248  6.242898       0.7382826 6.659572       1.100850  5.902301       0.9952908 1.469740       2.992496  
1 1 1 10 38 12 f 31.97495 1.183279  10.38140       0.7566119 10.15480       1.064008  10.61319       1.076117  -0.7111855     2.366558  
1 1 1 10 38 13 o 12.07709 2.777072  1.672897       0.7697588 1.858628       0.9740791 1.364027       1.256146  1.300745       5.554144  
1 1 1 10 38 14 o 16.58511 2.758779  3.438894       0.9523722 4.446273       1.246742  2.027444       1.475750  7.125732       5.517558  
1 1 1 10 38 15 o 12.88456 2.658814  2.218140       0.8233739 2.938841       0.9961603 0.6640366      1.462822  5.994306       5.317628  
1 1 1 10 38 16 o 12.50437 3.472777  1.916243       1.117476  1.819800       1.248385  2.305096       2.506721  -1.073192      6.945553  
1 1 1 10 39 0  o 104.3731 1.875800  109.0166       3.647068  107.5002       4.409535  112.3002       6.488585  0.000000       0.000000  
1 1 1 10 39 1  o 78.62392 1.026733  61.89432       1.599321  60.80481       2.112826  63.35627       2.447453  -1.574829      2.053465  
1 1 1 10 39 2  o 34.59100 1.163858  12.03409       0.8051305 11.85032       1.135570  12.21984       1.141707  -0.5330544     2.327716  
1 1 1 10 39 3  o 8.116116 2.390051  0.1780777      0.6410556 0.1493526      0.9481733 0.2022637      0.8700371 0.1818142      4.780102  
1 1 1 10 39 4  o 20.95383 1.674216  4.455325       0.7006032 4.437639       1.017377  4.471277       0.9662074 -0.9596634E-01 3.348432  
1 1 1 10 39 5  f 37.00121 1.084498  13.76873       0.8018727 13.52442       1.107581  14.03785       1.162446  -0.6821785     2.168996  
1 1 1 10 39 6  o 55.19237 0.9346524 30.62464       1.031677  30.84290       1.456815  30.40507       1.461220  0.3975220      1.869305  
1 1 1 10 39 7  o 66.39383 0.9363807 44.08295       1.238581  41.78515       1.665102  46.92918       1.853193  -3.835503      1.872761  
1 1 1 10 39 8  o 57.12034 1.338800  34.02953       1.324065  35.10333       1.542878  31.02863       2.579257  3.898506       2.677599  
1 1 1 10 39 9  o 36.69939 1.094863  13.49914       0.7996684 14.59748       1.206011  12.63735       1.068278  2.627224       2.189726  
1 1 1 10 39 10 o 11.29607 2.594631  1.346801       0.6692222 1.230086       1.036770  1.430165       0.8762082 -0.4591599     5.189262  
1 1 1 10 39 11 o 12.09950 2.666471  1.591766       0.7164726 1.742454       1.005828  1.436549       1.020828  0.9600916      5.332943  
1 1 1 10 39 12 o 33.43976 1.258118  11.44941       0.8412545 11.62460       1.184674  11.27121       1.194818  0.5351448      2.516236  
1 1 1 10 39 13 o 22.76459 1.901201  5.448518       0.8182583 5.261749       0.9999178 5.827127       1.423665  -0.7038059     3.802402  
1 1 1 10 39 14 o 10.37924 2.846414  1.059126       0.8294306 1.039285       1.060627  1.090361       1.330806  -0.5216808     5.692827  
1 1 1 10 39 15 o 11.46751 2.944422  1.626886       0.9353634 2.172477       1.144029  0.5267624      1.624516  3.207990       5.888844  
1 1 1 10 39 16 o 9.582519 2.812193  0.7025800      0.9917997 1.722717       1.285097  -0.8000613     1.559676  3.502748       5.624385  
1 1 1 10 40 0  o 45.31636 1.455163  20.78543       1.312236  21.40847       1.846278  20.14939       1.865434  0.000000       0.000000  
1 1 1 10 40 1  o 50.32737 0.9715816 25.39997       0.9768953 23.97071       1.348616  26.97784       1.416996  -2.975418      1.943163  
1 1 1 10 40 2  o 24.44663 1.520759  6.046381       0.7431355 6.332154       1.060995  5.771177       1.041189  1.141800       3.041517  
1 1 1 10 40 3  o 49.53975 1.080864  24.70983       1.070581  24.26325       1.523548  25.14542       1.504688  -0.8943977     2.161729  
1 1 1 10 40 4  o 18.80021 1.781866  3.604897       0.6696010 3.716481       0.9425421 3.491195       0.9514380 0.6025772      3.563733  
1 1 1 10 40 5  o 48.41546 1.035788  23.43308       0.9903654 22.64369       1.292153  24.55708       1.541883  -1.921619      2.071575  
1 1 1 10 40 6  o 46.22846 1.042825  21.61393       0.9564646 22.38160       1.288087  20.67044       1.427997  1.883324       2.085649  
1 1 1 10 40 7  o 39.13258 1.175298  15.37068       0.8983024 15.02813       1.146838  15.91452       1.445004  -1.042599      2.350596  
1 1 1 10 40 8  o 45.83528 1.044599  21.25870       0.9536939 22.06049       1.307099  20.34596       1.394603  1.896500       2.089197  
1 1 1 10 40 9  o 44.87118 1.111612  20.25804       0.9906948 21.28475       1.506162  19.47508       1.315268  1.945602       2.223225  
1 1 1 10 40 10 o 13.88860 2.437973  2.126433       0.6736673 2.094412       0.9847516 2.154600       0.9236045 -0.2444048     4.875946  
1 1 1 10 40 11 o 11.09633 2.711135  0.8891431      0.7611327 2.278174       1.288558  0.1447819      0.9432783 6.170741       5.422269  
1 1 1 10 40 12 o 14.76745 2.487496  2.550262       0.7358528 1.895925       1.063047  3.152226       1.019617  -4.041841      4.974991  
1 1 1 10 40 13 f 22.66225 1.951377  5.554834       0.8583945 5.538292       1.092979  5.581461       1.386688  0.3416424      3.902754  
1 1 1 10 40 14 o 14.12408 2.897363  2.820998       1.013618  3.748902       1.204618  0.5708537      1.875872  7.331834       5.794725  
1 1 1 10 40 15 o 8.243173 2.693087  -0.3910975     1.030878  -0.3323491     1.339878  -0.4763221     1.613801  -0.5044169     5.386174  
1 1 1 10 41 0  o 71.53555 1.348033  51.59657       1.922566  52.16281       2.654108  50.97144       2.788722  0.000000       0.000000  
1 1 1 10 41 1  o 35.22459 1.161713  12.46413       0.8169194 11.63322       1.117379  13.41826       1.197360  -2.513760      2.323427  
1 1 1 10 41 2  f 41.04344 1.066998  16.96064       0.8757063 16.93607       1.226397  16.98619       1.250836  -0.5550766E-01 2.133997  
1 1 1 10 41 3  o 30.22763 1.394615  9.239207       0.8415313 9.304447       1.230217  9.181834       1.153677  0.1803284      2.789230  
1 1 1 10 41 4  o 54.29421 0.9574265 29.64675       1.039627  29.74222       1.466455  29.55029       1.474085  0.1783524      1.914853  
1 1 1 10 41 5  o 34.84589 1.302753  12.31219       0.8970653 12.50205       1.186233  12.05858       1.371020  0.6927681      2.605506  
1 1 1 10 41 6  o 32.20366 1.217857  10.49251       0.7841974 10.69674       1.105128  10.28538       1.112959  0.6413116      2.435714  
1 1 1 10 41 7  o 24.53578 1.436893  6.123542       0.7047237 5.965713       1.003798  6.276943       0.9896129 -0.6400547     2.873786  
1 1 1 10 41 8  o 45.88205 1.075634  21.23767       0.9756889 21.57897       1.502856  20.98901       1.282792  0.5636597      2.151269  
1 1 1 10 41 9  o 31.68948 1.381073  10.28489       0.8542455 10.01660       1.354779  10.46196       1.100612  -0.8289490     2.762146  
1 1 1 10 41 10 o 27.55026 1.517325  7.875785       0.8230595 7.087583       1.237650  8.500763       1.102075  -2.642937      3.034650  
1 1 1 10 41 11 f 28.07390 1.698354  8.296020       0.9504651 7.734968       1.363730  8.825983       1.325410  -1.982616      3.396708  
1 1 1 10 41 12 o 36.52158 1.690794  13.95671       1.078505  13.83162       1.252070  14.31642       2.123193  0.3109207      3.381587  
1 1 1 10 41 13 o 47.50520 1.474853  23.68528       1.251592  23.57993       1.473224  23.95855       2.372723  0.7222786      2.949706  
1 1 1 10 41 14 o 35.41370 1.660136  13.72427       1.139785  14.58976       1.478348  12.45582       1.789715  3.519726       3.320272  
1 1 1 10 41 15 f 28.38216 2.057563  9.187268       1.159469  8.312180       1.531076  10.36392       1.775390  -2.961655      4.115125  
1 1 1 10 42 0  o 14.23084 3.442748  2.936544       1.010371  3.909565       1.313786  1.527965       1.580716  0.000000       0.000000  
1 1 1 10 42 1  o 55.96125 0.9661921 31.50043       1.081180  30.67585       1.523132  32.33788       1.534976  -1.482422      1.932384  
1 1 1 10 42 2  o 70.30078 1.248878  50.56605       1.629427  51.71944       1.979882  48.14505       2.868438  2.789795       2.497755  
1 1 1 10 42 3  o 128.3002 1.361172  165.9017       3.436924  162.4514       4.458061  170.9572       5.396329  -3.010010      2.722345  
1 1 1 10 42 4  o 53.23943 1.103774  28.82283       1.141833  29.58480       1.462953  27.63513       1.826474  1.936123       2.207548  
1 1 1 10 42 5  o 10.35967 2.569399  0.8354921      0.7244425 1.735367       1.038801  -0.1653416E-01 1.010805  4.666669       5.138799  
1 1 1 10 42 6  o 26.87364 1.384259  7.367284       0.7388339 6.398949       1.046937  8.328003       1.042813  -3.590725      2.768518  
1 1 1 10 42 7  o 15.94547 2.541389  2.766802       0.7723007 2.956764       1.263014  2.653358       0.9760336 0.6468983      5.082778  
1 1 1 10 42 8  o 18.04814 2.038404  3.445647       0.7178622 3.171449       1.018498  3.716334       1.011955  -1.768084      4.076808  
1 1 1 10 42 9  o 29.61640 1.347551  8.863750       0.7909912 10.70219       1.174635  7.338418       1.069941  5.625517       2.695102  
1 1 1 10 42 10 o 15.45016 2.619456  2.754476       0.7978083 2.721694       1.177012  2.782339       1.085124  -0.3189344     5.238912  
1 1 1 10 42 11 o 30.85993 2.666081  8.509836       1.177141  7.626780       1.258127  14.71408       3.334837  -7.850643      5.332162  
1 1 1 10 42 12 o 30.24193 1.999551  10.02923       1.033447  10.11746       1.195194  9.767788       2.057257  1.868963       3.999101  
1 1 1 10 42 13 o 12.56993 2.879113  1.970549       1.030908  3.275328       1.289072  -0.3447037     1.717148  7.150342       5.758225  
1 1 1 10 42 14 o 18.45331 3.021547  4.695635       1.100261  5.340910       1.474237  3.884300       1.653084  4.362339       6.043095  
1 1 1 10 43 0  f 11.11781 3.837112  1.913640       1.010447  2.206984       1.426173  1.617969       1.431819  0.000000       0.000000  
1 1 1 10 43 1  o 39.23059 1.227196  15.67959       0.9466887 14.93367       1.459778  16.22101       1.243677  -1.713470      2.454391  
1 1 1 10 43 2  o 49.88285 1.243957  24.99504       1.236119  22.80230       1.662943  27.70275       1.847926  -4.846478      2.487913  
1 1 1 10 43 3  o 36.96116 1.437140  14.02556       1.048767  14.95250       1.406823  12.86598       1.573492  2.891071       2.874280  
1 1 1 10 43 4  o 98.01901 1.145848  96.80994       2.220778  98.92127       3.423214  95.27562       2.918201  1.695938       2.291696  
1 1 1 10 43 5  o 57.66580 1.153698  33.73753       1.285096  33.23800       2.101457  34.03593       1.624187  -0.8586960     2.307396  
1 1 1 10 43 6  o 43.05375 1.092635  18.72297       0.9389560 19.53148       1.381764  18.02933       1.279853  1.702431       2.185270  
1 1 1 10 43 7  o 56.24833 0.9915965 31.97612       1.115389  32.18944       1.569110  31.75824       1.585820  0.3896027      1.983193  
1 1 1 10 43 8  o 41.96439 1.071916  17.69545       0.8958818 19.33388       1.344098  16.38567       1.201755  3.454357       2.143831  
1 1 1 10 43 9  o 31.19757 1.383562  10.03620       0.8628433 9.795047       1.197287  10.29679       1.244576  -0.7654705     2.767124  
1 1 1 10 43 10 o 20.75470 1.888494  4.612457       0.7792916 4.460031       1.152692  4.740773       1.057607  -0.7968445     3.776989  
1 1 1 10 43 11 o 18.71765 2.765644  4.758683       0.9072393 5.425717       1.056865  2.890492       1.768708  7.808466       5.531288  
1 1 1 10 43 12 o 28.44517 2.249118  9.287369       1.154050  9.532189       1.385933  8.733763       2.084096  2.793222       4.498236  
1 1 1 10 43 13 o 14.96963 3.261653  2.944774       1.068314  2.331842       1.385747  3.842765       1.677312  -3.405034      6.523305  
1 1 1 10 44 0  o 13.86965 4.291691  3.130874       1.334621  1.382694       2.966136  3.574652       1.494449  0.000000       0.000000  
1 1 1 10 44 1  o 73.98300 1.148035  55.32444       1.692679  55.43208       2.300669  55.19742       2.499263  0.2233200      2.296070  
1 1 1 10 44 2  o 16.96082 2.287955  3.089385       0.7515946 2.748734       1.123316  3.365494       1.011315  -2.189659      4.575909  
1 1 1 10 44 3  o 66.09362 0.9847416 44.07380       1.301672  44.02401       1.834064  44.12434       1.847696  -0.7151794E-01 1.969483  
1 1 1 10 44 4  o 28.70587 1.462430  8.364890       0.8363885 9.356753       1.244798  7.548568       1.129285  3.085726       2.924859  
1 1 1 10 44 5  o 49.20023 1.083886  24.53213       1.060458  24.86035       1.431162  24.13251       1.579167  0.7971382      2.167772  
1 1 1 10 44 6  o 31.84620 1.374337  10.31439       0.8732722 9.689326       1.186385  11.05352       1.290112  -2.084410      2.748673  
1 1 1 10 44 7  o 26.44432 1.464700  7.198418       0.7707195 6.506528       1.104156  7.855838       1.076302  -2.567814      2.929400  
1 1 1 10 44 8  o 34.15292 1.258967  11.99325       0.8581246 11.65034       1.243190  12.30532       1.185973  -1.001774      2.517933  
1 1 1 10 44 9  o 18.78254 2.018555  3.784530       0.7563938 4.072109       1.118419  3.542115       1.026843  1.286036       4.037111  
1 1 1 10 44 10 o 17.42131 3.128065  3.370598       0.9871244 2.822392       1.142113  4.989285       1.962541  -4.068242      6.256129  
1 1 1 10 44 11 o 24.72357 2.652313  7.754749       1.099153  8.613894       1.327374  5.880431       1.960566  7.262123       5.304626  
1 1 1 10 44 12 o 22.18238 3.231640  6.370263       1.362166  6.576605       2.251938  6.251202       1.710593  -1.374002      6.463280  
1 1 1 10 44 13 o 13.37870 3.133615  2.648085       1.095069  3.657455       1.435527  1.243182       1.693594  5.603977       6.267231  
1 1 1 10 45 0  o 44.40068 1.589558  20.22573       1.393852  21.15774       1.892521  19.12082       2.060596  0.000000       0.000000  
1 1 1 10 45 1  o 45.81050 1.080077  21.24582       0.9892423 21.15449       1.415781  21.33294       1.382802  -0.2080193     2.160155  
1 1 1 10 45 2  o 46.06447 1.393149  21.98264       1.181672  20.73015       2.101285  22.56193       1.429048  -2.317978      2.786299  
1 1 1 10 45 3  o 13.87451 2.888812  2.148640       0.8432843 2.028674       1.371326  2.221591       1.069380  -0.5427570     5.777625  
1 1 1 10 45 4  o 26.56373 1.669613  7.316343       0.8519858 7.139158       1.405028  7.419381       1.071448  -0.7481422     3.339226  
1 1 1 10 45 5  o 45.97833 1.052650  21.38137       0.9677334 20.87093       1.350577  21.91997       1.387326  -1.126068      2.105300  
1 1 1 10 45 6  o 33.31902 1.342271  11.41377       0.8898373 10.05248       1.252432  12.80140       1.264495  -4.117014      2.684542  
1 1 1 10 45 7  o 22.41426 1.709387  5.279607       0.7633671 5.289027       1.036864  5.268458       1.128015  0.1414032      3.418774  
1 1 1 10 45 8  o 7.393673 2.397292  -0.5374699     0.7994003 -0.3573285     1.183687  -0.6885281     1.083933  0.8119321      4.794584  
1 1 1 10 45 9  o 37.51721 1.776769  15.41927       1.246686  16.27022       1.546298  13.83880       2.107348  3.991585       3.553537  
1 1 1 10 45 10 o 22.51997 3.139268  6.698841       1.352849  8.145081       1.798528  4.814254       2.053077  8.258814       6.278536  
1 1 1 10 45 11 o 11.88733 3.149309  1.610906       1.082168  2.721879       1.545887  0.5433207      1.515400  4.406725       6.298618  
1 1 1 10 45 12 o 24.58424 2.483272  7.428218       1.211110  7.781349       1.652334  7.018246       1.780360  1.959951       4.966544  
1 1 1 10 46 0  o 31.27028 2.247070  10.12454       1.271032  9.782180       1.519455  10.92240       2.319575  0.000000       0.000000  
1 1 1 10 46 1  o 41.31149 1.130968  17.30231       0.9340658 17.58608       1.343895  17.03711       1.299177  0.6444397      2.261936  
1 1 1 10 46 2  o 27.54799 1.455602  7.675381       0.7964572 6.576790       1.068818  9.047123       1.194324  -4.413715      2.911203  
1 1 1 10 46 3  o 16.26574 2.306821  2.885880       0.7338367 2.367687       1.060077  3.362697       1.016875  -3.357186      4.613642  
1 1 1 10 46 4  o 45.40351 1.093987  20.95813       0.9933925 20.81905       1.406167  21.09669       1.403574  -0.3071327     2.187975  
1 1 1 10 46 5  o 7.924297 2.446252  -0.8666003E-01 0.7419545 0.3378457      1.085729  -0.4585918     1.016275  1.647301       4.892503  
1 1 1 10 46 6  o 10.52712 2.675807  1.164665       0.7198623 1.128861       1.017120  1.200598       1.018961  -0.2015190     5.351614  
1 1 1 10 46 7  o 20.50043 2.938281  4.819371       1.003510  4.705984       1.141497  5.205154       2.105541  0.9472580      5.876563  
1 1 1 10 46 8  o 20.58445 2.905082  5.147545       0.9521281 5.203030       1.070707  4.937847       2.081526  3.042875       5.810164  
1 1 1 10 46 9  o 37.42925 2.220537  16.36273       1.320544  16.88974       1.498493  14.53073       2.793890  5.551109       4.441075  
1 1 1 10 46 10 o 9.783921 2.973910  0.4968694      1.086206  -0.2905690     1.534795  1.287047       1.537462  -2.377888      5.947820  
1 1 1 10 46 11 o 13.21898 3.592601  2.644303       1.423234  1.390174       2.100610  3.708566       1.935079  -3.989046      7.185202  
1 1 1 10 47 0  o 13.60942 4.044121  2.860807       1.108262  2.612957       1.571805  3.105847       1.562871  0.000000       0.000000  
1 1 1 10 47 1  o 8.308844 2.433200  0.6873778E-01  0.7078264 0.9323623      1.035151  -0.6896798     0.9700527 3.432922       4.866400  
1 1 1 10 47 2  o 8.610592 2.561196  0.2438351      0.7621808 -0.1431807     1.068650  0.6445255      1.087366  -1.612672      5.122392  
1 1 1 10 47 3  o 36.48359 1.279868  13.68742       0.9337079 13.87843       1.314559  13.49294       1.326447  0.5375443      2.559736  
1 1 1 10 47 4  o 12.64645 2.496725  1.650350       0.7318633 0.5564662      0.9689171 3.103586       1.116784  -7.606805      4.993451  
1 1 1 10 47 5  o 11.80170 2.837187  1.539310       0.8018453 1.205882       1.070665  1.965200       1.210045  -2.196445      5.674374  
1 1 1 10 47 6  o 27.41448 2.722217  8.502808       0.9970793 8.437713       1.080391  8.876720       2.589351  2.224934       5.444433  
1 1 1 10 47 7  o 9.174530 2.965679  0.8776098E-01  0.9391407 0.3299341      1.004552  -1.592232      2.645837  -1.661614      5.931359  
1 1 1 10 47 8  o 15.64656 3.751355  2.850775       1.129855  2.397368       1.237510  5.121867       2.769631  -3.814788      7.502709  
1 1 1 10 47 9  o 23.45242 2.967264  6.612374       1.320391  11.16947       2.083310  3.552790       1.707031  15.14172       5.934527  
1 1 1 10 47 10 o 10.97144 3.308398  1.176040       1.249135  2.111272       2.015183  0.5924756      1.591840  2.623124       6.616795  
1 1 1 10 48 0  o 26.34236 2.449859  7.751009       1.185194  9.194689       1.642743  6.183745       1.711611  0.000000       0.000000  
1 1 1 10 48 1  o 18.38715 2.208929  3.734234       0.7934076 4.077458       1.139866  3.411662       1.105040  2.032528       4.417857  
1 1 1 10 48 2  o 24.33311 1.695474  6.262547       0.8220784 6.749200       1.151591  5.756840       1.173920  2.064474       3.390948  
1 1 1 10 48 3  o 13.38290 3.300876  2.045489       0.9595360 2.032881       1.071674  2.096455       2.154618  -0.4438848     6.601752  
1 1 1 10 48 4  o 29.55480 1.645858  9.203414       0.9714805 8.886088       1.331524  9.564592       1.420555  -1.041206      3.291716  
1 1 1 10 48 5  o 10.10350 3.006445  0.5814025      0.8798767 0.3682270      0.9980894 1.324813       1.863868  -3.390336      6.012890  
1 1 1 10 48 6  o 14.38843 3.174246  2.786249       1.069597  3.374467       1.333434  1.724840       1.791200  4.252439       6.348492  
1 1 1 10 48 7  o 18.48877 3.512852  4.391259       1.348124  6.779448       2.183181  2.919362       1.713933  7.835304       7.025705  
1 1 1 10 48 8  o 17.05454 3.378719  3.973467       1.199487  4.533782       1.770791  3.498396       1.630537  2.261335       6.757438  
1 1 1 10 48 9  o 32.05013 2.304508  12.04892       1.431444  12.56647       2.329640  11.73500       1.814350  -0.1383419     4.609015  
1 1 1 10 49 0  o 7.599972 3.659984  -0.2213574     1.308652  -0.4847203     1.491125  0.6614836      2.730096  0.000000       0.000000  
1 1 1 10 49 1  f 8.660828 2.701592  0.4715665E-01  0.9141045 0.9179680E-01  1.298327  0.3276850E-02  1.287222  0.1704559      5.403185  
1 1 1 10 49 2  o 16.27039 2.859539  3.133528       0.9388503 4.318197       1.436346  2.249835       1.240541  5.479886       5.719078  
1 1 1 10 49 3  o 21.45550 2.883092  5.843177       1.114038  6.534601       1.371724  4.503518       1.909377  6.124718       5.766185  
1 1 1 10 49 4  o 45.74864 1.660772  22.41118       1.509773  23.16543       2.048483  21.51428       2.233820  2.068939       3.321544  
1 1 1 10 49 5  o 39.50600 1.971932  17.19613       1.552005  15.43629       2.174126  19.02476       2.216210  -4.465332      3.943864  
1 1 1 10 49 6  o 10.99340 3.306264  1.096486       1.272281  0.7208269      2.023335  1.342157       1.636240  -0.4475222     6.612528  
1 1 1 10 49 7  o 8.562278 2.879083  -1.359459      1.293361  -0.1228095     2.090810  -2.125991      1.646102  2.732542       5.758166  
1 1 1 10 49 8  o 8.970043 2.984528  -1.076755      1.337901  -2.535587      1.695084  1.333655       2.178885  -4.226094      5.969055  
1 1 1 10 50 0  o 7.829866 5.349608  -0.2672110     2.485545  -0.2672110     2.485545  -0.2672110     2.485545  0.000000       0.000000  
1 1 1 10 50 1  o 16.58131 3.756517  3.383061       1.355603  2.197947       1.622072  6.127801       2.468543  -7.137270      7.513034  
1 1 1 10 50 2  o 17.85773 3.971399  4.378159       1.432902  3.887822       1.649736  5.884338       2.891383  -1.602762      7.942798  
1 1 1 10 50 3  o 18.79573 3.802821  4.653966       1.267034  4.359874       1.390602  6.091634       3.074615  0.3389111      7.605641  
1 1 1 10 50 4  o 18.11639 3.174711  4.832393       1.524878  7.710082       1.968148  0.5108002      2.411891  14.19644       6.349423  
1 1 1 10 50 5  f 23.27684 3.348372  7.174924       1.460406  7.216588       1.814745  7.098353       2.460164  2.718737       6.696743  
1 1 1 10 50 6  o 32.42703 3.095666  13.69923       1.802615  19.02678       2.586994  8.671385       2.513173  16.10197       6.191332  
1 1 1 10 50 7  o 14.81622 3.737981  3.716787       1.664787  5.789961       2.211035  1.002854       2.529749  7.734839       7.475962  
1 1 1 10 51 0  o 6.534645 4.543236  -0.8330485     1.991029  -0.8330485     1.991029  -0.8330485     1.991029  0.000000       0.000000  
1 1 1 10 51 1  o 11.43716 3.479252  1.224267       1.436093  1.646881       2.113264  0.8616387      1.957548  1.223593       6.958504  
1 1 1 10 51 2  o 17.79060 5.894956  0.000000       0.000000  ?              ?         5.073901       2.444996  ?              ?         
1 1 1 10 51 3  o 12.34858 5.408517  0.000000       0.000000  ?              ?         1.640463       2.545404  ?              ?         
1 1 1 10 51 4  o 8.356841 4.114476  0.000000       0.000000  ?              ?         -2.659265      2.387574  ?              ?         
1 1 1 10 51 5  f 17.05344 6.240404  0.000000       0.000000  ?              ?         5.881768       2.779338  ?              ?         
1 1 1 10 52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10 52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10 52 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10 52 3  o 13.73148 5.801485  0.000000       0.000000  ?              ?         3.540178       2.741212  ?              ?         
1 1 1 11 0  1  o 216.3897 2.608476  468.6692       11.27778  461.7356       15.70465  476.0522       16.20550  0.000000       0.000000  
1 1 1 11 0  2  o 188.1488 2.773807  357.6824       9.960866  365.2907       12.44683  344.1308       16.61153  0.000000       0.000000  
1 1 1 11 0  3  f 19.29571 1.464395  3.509383       0.4518274 4.452049       1.031005  3.285306       0.5026683 0.000000       0.000000  
1 1 1 11 0  4  o 89.61784 1.132476  79.95216       2.019298  84.90952       3.032872  76.00471       2.706373  0.000000       0.000000  
1 1 1 11 0  5  o 332.2492 5.660993  1107.265       37.56809  1103.497       52.94548  1111.085       53.31504  0.000000       0.000000  
1 1 1 11 0  6  o 262.7441 6.351780  692.2331       33.33456  692.2331       33.33456  692.2331       33.33456  0.000000       0.000000  
1 1 1 11 0  7  o 65.33919 1.491260  42.82322       1.944094  43.39981       2.773734  42.26645       2.725626  0.000000       0.000000  
1 1 1 11 0  8  o 112.6940 2.065178  126.8287       4.633615  133.1259       6.882782  121.6089       6.266352  0.000000       0.000000  
1 1 1 11 0  9  o 135.4663 1.950127  188.2554       4.659435  174.3446       8.864562  193.5660       5.477072  0.000000       0.000000  
1 1 1 11 0  10 o 79.57199 1.344008  62.98768       1.730853  64.22824       3.819335  62.66705       1.941685  0.000000       0.000000  
1 1 1 11 0  11 o 278.6783 3.879000  790.8033       19.05974  757.3518       36.59378  803.2563       22.32734  0.000000       0.000000  
1 1 1 11 0  12 o 296.0959 5.099463  880.7996       30.03984  835.9949       40.37136  936.3786       44.96432  0.000000       0.000000  
1 1 1 11 0  13 o 219.8135 3.085927  484.3043       13.56058  484.3043       13.56058  484.3043       13.56058  0.000000       0.000000  
1 1 1 11 0  14 o 27.79513 2.996248  8.683687       0.8175776 7.768753       2.643385  8.780470       0.8597327 0.000000       0.000000  
1 1 1 11 0  15 o 83.59496 1.562692  72.05267       2.119278  66.84756       4.544799  73.49898       2.395687  0.000000       0.000000  
1 1 1 11 0  16 o 8.666372 3.315375  1.088765       0.8043779 -1.401585      2.358665  1.416516       0.8556738 0.000000       0.000000  
1 1 1 11 0  17 o 32.18054 2.740440  10.24571       0.8423750 11.48512       3.227058  10.15508       0.8726298 0.000000       0.000000  
1 1 1 11 0  18 o 24.78045 2.171230  6.315982       1.060351  6.315982       1.060351  6.315982       1.060351  0.000000       0.000000  
1 1 1 11 0  19 o 93.93744 1.775895  91.33983       2.663258  85.79244       5.842527  92.79486       2.992217  0.000000       0.000000  
1 1 1 11 0  20 o 54.85580 1.859583  29.52275       1.302377  32.29281       3.866136  29.16816       1.383224  0.000000       0.000000  
1 1 1 11 0  21 o 16.86538 4.273289  3.850533       0.9546596 3.733459       3.509071  3.859891       0.9920791 0.000000       0.000000  
1 1 1 11 0  22 o 6.391104 3.849750  0.5169254      0.8728177 0.5169254      0.8728177 0.5169254      0.8728177 0.000000       0.000000  
1 1 1 11 0  23 o 7.171590 3.222513  0.5743765      0.9033110 -1.099805      2.347309  0.8654109      0.9786811 0.000000       0.000000  
1 1 1 11 0  24 o 7.138206 3.304363  0.5849419      0.8652864 -0.6986585     2.800905  0.7203717      0.9097892 0.000000       0.000000  
1 1 1 11 1  0  o 178.0376 3.040164  317.3511       10.81821  317.3511       10.81821  317.3511       10.81821  0.000000       0.000000  
1 1 1 11 1  1  o 307.7119 2.610288  947.6711       16.06362  942.2432       22.58936  953.2240       22.84762  -1.781097      5.220577  
1 1 1 11 1  2  f 41.90243 0.8171611 17.57349       0.6842539 18.04225       0.9571287 17.08347       0.9785905 1.144142       1.634322  
1 1 1 11 1  3  o 320.6218 2.717961  1028.795       17.42818  1033.971       24.76837  1023.719       24.52774  1.596130       5.435923  
1 1 1 11 1  4  o 124.2506 1.247999  154.3283       3.100104  151.7716       4.312671  157.0621       4.459431  -2.128342      2.495999  
1 1 1 11 1  5  o 317.3714 3.816612  1008.144       24.21908  995.3664       33.78217  1021.656       34.73979  -4.131042      7.633224  
1 1 1 11 1  6  o 303.3173 5.166784  922.4243       31.34347  921.6042       44.28796  923.2471       44.36486  -0.2694397     10.33357  
1 1 1 11 1  7  o 300.4578 3.618129  904.2127       21.74179  906.1874       30.80784  902.2534       30.68756  0.6527100      7.236257  
1 1 1 11 1  8  o 112.1730 1.453657  125.4545       3.252743  120.3998       4.412317  131.4715       4.814035  -4.931458      2.907314  
1 1 1 11 1  9  o 155.1545 1.346431  240.8403       4.178094  241.1785       5.910800  240.5027       5.906636  0.2177277      2.692861  
1 1 1 11 1  10 o 99.83197 0.9155053 99.69407       1.827932  99.84260       2.584805  99.54546       2.585368  0.1488190      1.831011  
1 1 1 11 1  11 o 46.27208 0.8844547 21.51637       0.8085537 22.09108       1.071559  20.75654       1.232113  1.444317       1.768909  
1 1 1 11 1  12 o 64.19421 0.9240345 41.07277       1.156771  41.93777       1.863897  40.53088       1.475262  1.087795       1.848069  
1 1 1 11 1  13 o 92.82861 1.135619  86.47909       2.066370  87.41706       2.676838  85.09596       3.250592  1.266937       2.271239  
1 1 1 11 1  14 o 57.67708 0.8240675 33.31117       0.9452757 33.05972       1.410795  33.51603       1.273384  -0.3992996     1.648135  
1 1 1 11 1  15 o 50.10201 0.7989268 25.11943       0.8004330 25.74692       1.137988  24.50502       1.126073  1.238953       1.597854  
1 1 1 11 1  16 o 118.3956 1.110858  140.5101       2.630280  142.3003       3.740546  138.7590       3.699351  1.492287       2.221716  
1 1 1 11 1  17 o 46.28608 0.8262839 21.43798       0.7634565 21.01213       1.043621  21.92826       1.119779  -0.9829903     1.652568  
1 1 1 11 1  18 o 35.77346 1.121719  12.87834       0.7802909 12.88059       0.9937354 12.87472       1.260099  0.6049347E-01  2.243438  
1 1 1 11 1  19 o 30.12139 1.087268  9.158210       0.6532205 9.487686       0.9018444 8.794585       0.9474269 1.161108       2.174535  
1 1 1 11 1  20 o 104.9711 1.051093  111.1649       2.206670  111.1327       3.114519  111.1973       3.126924  -0.2705383E-01 2.102185  
1 1 1 11 1  21 o 13.62333 2.393969  2.034427       0.6576279 1.553502       0.9081275 2.564709       0.9535896 -3.393993      4.787938  
1 1 1 11 1  22 o 14.88456 2.227892  2.467415       0.6571531 1.837917       0.9094706 3.155139       0.9506028 -4.525299      4.455785  
1 1 1 11 1  23 o 19.48054 1.750702  4.073792       0.6798375 3.679639       0.9235672 4.539939       1.004379  -2.077473      3.501405  
1 1 1 11 1  24 o 7.549539 2.381242  0.5202121E-01  0.7290204 -0.4374528E-01 1.081279  0.1318356      0.9871236 -0.3592396E-01 4.762485  
1 1 1 11 2  0  o 144.1781 2.150936  209.1045       5.870763  211.0341       7.245491  205.4161       10.01726  0.000000       0.000000  
1 1 1 11 2  1  o 137.1994 1.276179  188.7747       3.483872  182.9056       5.150212  193.7261       4.730396  -3.945816      2.552359  
1 1 1 11 2  2  o 302.5338 2.774871  915.2424       16.59634  910.3307       21.84531  921.9471       25.52305  -1.875824      5.549743  
1 1 1 11 2  3  o 256.0324 2.180915  652.7385       11.12516  690.4205       16.62999  622.2133       14.96768  13.30577       4.361829  
1 1 1 11 2  4  o 125.3142 1.425265  154.3000       3.423347  166.5842       5.828444  147.8302       4.229844  7.475098       2.850530  
1 1 1 11 2  5  o 434.9001 4.258682  1893.733       37.03431  1917.707       53.03136  1870.912       51.74131  5.363739       8.517365  
1 1 1 11 2  6  o 401.6140 4.828648  1606.785       38.60027  1714.691       58.11062  1521.577       51.63873  23.93210       9.657295  
1 1 1 11 2  7  o 485.3682 5.033332  2377.532       46.52583  2316.078       78.39228  2410.949       57.80799  -10.22546      10.06666  
1 1 1 11 2  8  o 259.3033 2.704188  676.6813       13.32048  662.2683       22.59601  684.3578       16.49055  -4.363342      5.408375  
1 1 1 11 2  9  o 41.17273 0.9515837 15.27931       0.6777897 20.39562       1.444125  13.83387       0.7675847 7.962727       1.903167  
1 1 1 11 2  10 o 106.1104 0.9624451 112.6348       2.042434  113.0651       2.879532  112.1991       2.897426  0.4082718      1.924890  
1 1 1 11 2  11 o 145.3795 1.382835  211.3244       3.968621  210.2264       5.203537  212.8512       6.135977  -0.8819580     2.765670  
1 1 1 11 2  12 o 121.5467 1.405274  148.4732       3.368266  144.5139       5.180767  151.3722       4.433052  -2.845032      2.810548  
1 1 1 11 2  13 o 55.44543 0.9842706 30.61664       1.088263  28.91502       1.471663  32.66994       1.616601  -3.382442      1.968541  
1 1 1 11 2  14 o 110.0904 1.033066  121.0681       2.270308  117.4857       3.099418  125.2155       3.334901  -3.502625      2.066133  
1 1 1 11 2  15 o 91.04961 0.9196635 82.85528       1.672314  80.63623       2.293176  85.37594       2.444046  -2.596603      1.839327  
1 1 1 11 2  16 o 69.26028 1.136984  48.01419       1.379363  47.92566       1.601567  48.26849       2.714389  -0.1587219     2.273968  
1 1 1 11 2  17 o 26.02095 1.112127  6.797515       0.5780432 6.827818       0.7986814 6.764182       0.8376642 0.1268635      2.224254  
1 1 1 11 2  18 o 33.34150 1.197195  11.30312       0.7752131 11.67185       0.9941002 10.73094       1.238337  1.462570       2.394391  
1 1 1 11 2  19 o 54.16804 0.9649514 29.18629       0.9997994 28.43656       1.236697  30.60079       1.698681  -1.902519      1.929903  
1 1 1 11 2  20 o 10.82384 2.187792  1.088762       0.5243395 0.5057550      0.6728630 1.990200       0.8366770 -5.524927      4.375583  
1 1 1 11 2  21 o 12.73643 2.443923  1.789061       0.6434416 2.058358       0.9080737 1.517509       0.9118657 1.862373       4.887847  
1 1 1 11 2  22 f 8.259397 2.307307  0.3383740      0.6075622 -0.2989527     0.8466114 1.015143       0.8724151 -3.243532      4.614613  
1 1 1 11 2  23 o 17.53502 1.999148  3.378002       0.6634676 2.344868       0.8860178 4.696808       1.001047  -6.734474      3.998296  
1 1 1 11 2  24 o 16.62747 2.611942  3.435556       0.8257101 3.997867       1.356166  3.104309       1.040880  1.573509       5.223884  
1 1 1 11 3  0  o 200.7586 2.984697  401.1120       11.17283  396.3940       13.51640  411.2909       19.85328  0.000000       0.000000  
1 1 1 11 3  1  o 120.7834 1.141007  145.3792       2.712735  148.8571       4.252783  142.9933       3.522384  2.423653       2.282013  
1 1 1 11 3  2  o 352.0643 3.224606  1242.090       22.50033  1249.012       29.92374  1233.085       34.13010  2.319183       6.449211  
1 1 1 11 3  3  o 180.5464 1.592714  327.1656       5.596406  321.2038       8.979168  330.9526       7.156436  -2.710938      3.185428  
1 1 1 11 3  4  o 618.7971 6.067051  3841.625       75.07487  3879.503       107.2592  3805.244       105.1170  5.957214       12.13410  
1 1 1 11 3  5  o 508.5169 4.977904  2591.183       50.62605  2600.674       71.85682  2581.828       71.33810  1.845459       9.955808  
1 1 1 11 3  6  o 89.37139 1.668680  0.000000       0.000000  ?              ?         79.88381       2.982644  ?              ?         
1 1 1 11 3  7  f 166.1438 1.863668  274.5737       6.023705  282.8972       9.790218  269.5032       7.641286  4.013000       3.727336  
1 1 1 11 3  8  f 207.7588 2.315664  424.0793       9.210080  459.2193       15.73266  405.7577       11.36014  12.79942       4.631328  
1 1 1 11 3  9  o 157.0184 1.676624  246.9110       4.965276  246.1815       8.588931  247.2772       6.085160  -0.3871765     3.353248  
1 1 1 11 3  10 o 67.58486 0.7182727 45.61322       0.9700493 48.20983       1.402160  43.22955       1.343437  3.683914       1.436545  
1 1 1 11 3  11 o 78.05129 0.8669370 60.82730       1.318978  60.43681       1.683506  61.44798       2.122492  -0.6415405     1.733874  
1 1 1 11 3  12 o 44.21741 0.8181285 19.25307       0.7147388 17.71802       0.9277894 21.49396       1.120983  -4.266068      1.636257  
1 1 1 11 3  13 f 61.30119 0.8097072 37.54752       0.9920725 39.18592       1.433160  36.04012       1.374672  2.564617       1.619414  
1 1 1 11 3  14 o 65.47002 0.8272492 42.82079       1.078314  43.60661       1.609568  42.18090       1.452441  1.084511       1.654498  
1 1 1 11 3  15 o 87.96019 0.8999066 77.42721       1.581873  76.86994       2.190453  78.03462       2.286873  -0.6580734     1.799813  
1 1 1 11 3  16 o 45.87352 1.261070  21.15277       0.9305353 21.17931       1.042779  21.04902       2.061796  0.2327461      2.522141  
1 1 1 11 3  17 o 84.51573 0.8936136 71.60960       1.509655  71.88876       2.102613  71.31259       2.168880  0.3471451      1.787227  
1 1 1 11 3  18 o 53.43451 0.8714974 28.41308       0.9265293 31.14253       1.400287  26.28752       1.235712  4.516994       1.742995  
1 1 1 11 3  19 o 33.72358 1.156238  11.81234       0.7399601 12.72546       0.9334947 10.26862       1.213763  3.710968       2.312475  
1 1 1 11 3  20 o 11.03265 2.530915  1.275277       0.6568761 0.7453761      1.070970  1.594842       0.8316852 -2.253832      5.061831  
1 1 1 11 3  21 f 31.46333 1.164036  9.907680       0.7070947 9.531929       0.8833516 10.57786       1.179719  -1.528259      2.328072  
1 1 1 11 3  22 o 22.83204 1.451130  5.413480       0.6599644 5.346203       0.8920253 5.494839       0.9809622 -0.2394428     2.902260  
1 1 1 11 3  23 o 35.22225 1.093305  12.78697       0.7674963 14.24624       1.103447  11.41939       1.068218  3.977222       2.186609  
1 1 1 11 4  0  o 48.20396 1.165445  23.20308       1.114692  22.26800       1.488998  24.39527       1.681282  0.000000       0.000000  
1 1 1 11 4  1  f 158.0414 1.751168  250.1971       5.432365  248.1229       8.527436  251.6139       7.047458  -1.115692      3.502337  
1 1 1 11 4  2  o 253.8104 2.331419  645.5235       11.73715  637.2800       17.71730  651.9708       15.66854  -2.913651      4.662838  
1 1 1 11 4  3  o 259.4265 2.280485  672.1352       11.42719  678.2222       18.82024  668.5809       14.38165  1.820557       4.560970  
1 1 1 11 4  4  o 253.3779 2.228304  641.3398       10.91442  645.9933       17.93177  638.6012       13.75602  1.429230       4.456607  
1 1 1 11 4  5  o 240.9718 2.376819  579.3412       11.43172  605.3148       16.82904  557.0881       15.57723  9.997833       4.753639  
1 1 1 11 4  6  o 364.8580 4.384011  1333.693       31.98684  1347.324       45.67482  1320.573       44.81002  3.651917       8.768022  
1 1 1 11 4  7  o 184.7369 1.838477  341.0303       6.785513  333.3508       9.344254  349.5977       9.869616  -4.392899      3.676955  
1 1 1 11 4  8  o 220.0612 2.309546  485.3872       9.606230  482.9102       16.53606  486.6489       11.80190  -0.9245300     4.619092  
1 1 1 11 4  9  o 252.2766 2.223751  639.3482       10.92581  628.0546       17.49783  646.5654       13.98778  -3.742081      4.447502  
1 1 1 11 4  10 o 124.3936 1.202822  155.1832       2.977530  150.9098       4.403400  158.7831       4.041555  -3.170425      2.405643  
1 1 1 11 4  11 o 79.80269 0.8442109 63.33205       1.297542  65.08144       2.161124  62.34596       1.622538  1.706299       1.688422  
1 1 1 11 4  12 o 91.69420 1.164815  84.62107       2.117885  80.11855       3.160477  88.29091       2.853305  -4.464821      2.329629  
1 1 1 11 4  13 o 10.30199 2.447969  1.000450       0.5719290 0.8452219      1.028377  1.069962       0.6881725 0.3154278E-01  4.895937  
1 1 1 11 4  14 o 150.6305 1.581014  228.3230       4.359083  225.2101       7.948176  229.6620       5.213023  -1.619019      3.162029  
1 1 1 11 4  15 o 45.04575 0.9837609 20.69928       0.8614192 18.50187       1.347616  22.21747       1.120143  -4.134693      1.967522  
1 1 1 11 4  16 o 30.23481 1.708693  8.728724       0.9824797 7.793972       1.190524  10.72457       1.739616  -4.773504      3.417386  
1 1 1 11 4  17 o 30.92440 0.9471480 9.629770       0.5832992 10.29282       0.8085501 8.910207       0.8423040 2.238880       1.894296  
1 1 1 11 4  18 o 38.09114 0.9514893 14.60865       0.7205663 16.62891       1.028322  12.65975       1.009995  5.206909       1.902979  
1 1 1 11 4  19 o 62.12520 0.8383699 38.77588       1.040841  40.71421       1.476346  36.86036       1.467635  3.100079       1.676740  
1 1 1 11 4  20 o 22.88736 1.581146  5.227846       0.7043353 5.839455       1.160564  4.871234       0.8861957 1.991934       3.162291  
1 1 1 11 4  21 o 22.08742 1.744581  4.603890       0.6971588 4.083766       0.8088082 6.107373       1.375122  -4.200472      3.489162  
1 1 1 11 4  22 o 6.767721 2.145780  -0.2360398     0.6006559 -0.4182196E-01 0.7751409 -0.5279360     0.9502770 0.1377792      4.291561  
1 1 1 11 4  23 o 16.81579 2.277225  3.426817       0.6990090 3.803722       0.8664780 2.724372       1.182901  4.077413       4.554451  
1 1 1 11 5  0  f 103.6508 1.621700  107.3718       3.149398  106.9270       3.834331  108.2941       5.521403  0.000000       0.000000  
1 1 1 11 5  1  o 65.87862 0.7141934 43.45620       0.9288692 43.06400       1.430007  43.74245       1.221692  -0.5155487     1.428387  
1 1 1 11 5  2  o 247.9715 2.281203  615.5591       11.20608  613.0573       17.04587  617.4634       14.87135  -0.9081116     4.562406  
1 1 1 11 5  3  o 137.1951 1.232369  188.4777       3.279181  187.3345       5.325811  189.1758       4.161559  -0.6761475     2.464737  
1 1 1 11 5  4  o 241.8245 2.131255  582.8874       9.929920  592.9289       16.48500  577.1692       12.44002  3.232178       4.262510  
1 1 1 11 5  5  o 308.4413 3.027694  952.1103       18.67721  950.5886       26.36045  953.6443       26.46699  -0.4943542     6.055387  
1 1 1 11 5  6  o 321.9108 3.871627  1037.962       24.92606  1035.595       35.14762  1040.356       35.35482  -0.7364807     7.743253  
1 1 1 11 5  7  o 190.7254 2.114178  364.4624       7.927606  361.3072       12.37952  366.6558       10.32163  -1.422409      4.228356  
1 1 1 11 5  8  o 351.7459 3.460608  1240.298       24.34476  1246.511       34.53821  1234.163       34.32022  1.749634       6.921216  
1 1 1 11 5  9  o 175.7128 1.569173  309.1771       5.348859  308.0657       8.687216  309.8557       6.788167  -0.5382538     3.138347  
1 1 1 11 5  10 o 121.5068 1.179300  147.8229       2.844959  146.8378       4.282871  148.6008       3.805978  -0.7330780     2.358601  
1 1 1 11 5  11 o 135.9752 1.252247  183.6868       3.269378  189.8035       5.491251  180.3279       4.069201  3.453613       2.504493  
1 1 1 11 5  12 o 46.10644 0.9642682 19.25044       0.7397385 25.02618       1.661921  17.82340       0.8260846 7.791397       1.928536  
1 1 1 11 5  13 o 35.41506 1.064513  12.34415       0.7133921 13.19101       1.245911  11.93107       0.8701559 1.768162       2.129026  
1 1 1 11 5  14 o 86.63014 1.051049  75.35617       1.694161  74.49957       3.001712  75.75659       2.052277  -0.7585373     2.102098  
1 1 1 11 5  15 o 66.09319 0.8886247 43.60771       1.153427  44.37831       1.819102  43.08960       1.491601  0.9605331      1.777249  
1 1 1 11 5  16 o 43.88692 1.326233  19.22898       1.101764  19.00244       1.351130  19.67855       1.903388  -0.7111931     2.652466  
1 1 1 11 5  17 o 71.45658 0.9790497 50.95259       1.395107  54.63004       2.072073  47.90316       1.886867  4.687210       1.958099  
1 1 1 11 5  18 f 9.474979 2.602498  0.4403967      0.6737549 1.142188       1.209732  0.1248217      0.8112162 3.759797       5.204995  
1 1 1 11 5  19 o 42.23611 0.8716269 17.91221       0.7334363 17.79097       0.9929460 18.05778       1.088035  -0.2974434     1.743254  
1 1 1 11 5  20 o 37.54446 1.061440  13.99802       0.7759904 15.20007       1.271209  13.28405       0.9797034 2.462765       2.122879  
1 1 1 11 5  21 o 40.94437 0.9988354 16.80648       0.7941311 16.38371       1.003245  17.51584       1.299537  -1.270409      1.997671  
1 1 1 11 5  22 o 17.26473 1.859236  3.178703       0.6392133 3.225616       0.8697001 3.123588       0.9426707 0.3855972      3.718473  
1 1 1 11 5  23 o 35.86428 1.269513  13.86946       0.8579793 15.04201       1.080128  11.86470       1.412347  4.818787       2.539027  
1 1 1 11 6  0  f 34.44997 1.978620  11.98640       1.353874  11.98640       1.353874  11.98640       1.353874  0.000000       0.000000  
1 1 1 11 6  1  o 129.1535 1.459322  167.5258       3.717329  171.1512       4.897213  162.5970       5.710108  3.316406       2.918644  
1 1 1 11 6  2  o 179.1269 1.834150  316.9545       5.837085  329.7423       11.33374  312.3382       6.809645  4.827179       3.668299  
1 1 1 11 6  3  o 348.6059 3.065495  1210.072       20.55078  1239.087       34.32024  1193.854       25.65952  6.397888       6.130990  
1 1 1 11 6  4  o 137.7807 1.297523  190.3294       3.554760  185.2183       5.281236  194.5631       4.806598  -3.392975      2.595046  
1 1 1 11 6  5  o 181.5552 1.683021  330.0982       6.056980  332.7061       8.064097  326.7224       9.174693  1.653839       3.366042  
1 1 1 11 6  6  o 237.8300 2.193619  566.2428       10.33813  563.7242       15.70512  568.1686       13.73314  -0.9519196     4.387239  
1 1 1 11 6  7  o 149.4913 1.842334  223.5774       5.508200  224.9768       7.807116  222.1903       7.772542  0.9317169      3.684667  
1 1 1 11 6  8  f 202.5924 1.741439  410.7015       7.055977  412.5060       10.00574  408.9164       9.951800  0.8852234      3.482879  
1 1 1 11 6  9  o 151.9968 1.437214  230.9324       4.321611  232.7555       6.629761  229.5854       5.698720  1.029236       2.874429  
1 1 1 11 6  10 o 120.2584 1.118613  145.0274       2.621671  143.1874       4.196804  146.2050       3.357336  -1.267654      2.237226  
1 1 1 11 6  11 o 105.2179 1.063937  110.9562       2.229452  108.6355       3.289153  112.9285       3.032326  -2.044952      2.127874  
1 1 1 11 6  12 o 113.5235 1.243686  129.4763       2.565293  127.9170       4.739949  130.1222       3.050690  -1.022736      2.487373  
1 1 1 11 6  13 o 100.0585 1.130205  101.0678       2.095156  97.93932       3.722304  102.5185       2.534824  -2.324265      2.260409  
1 1 1 11 6  14 o 116.2513 1.275051  136.6160       2.739161  132.0320       4.885321  138.7180       3.308068  -2.942673      2.550101  
1 1 1 11 6  15 o 71.50622 0.9468666 51.18427       1.351520  46.97662       1.888273  55.60397       1.935269  -6.030243      1.893733  
1 1 1 11 6  16 o 37.12575 1.588059  13.77780       1.172271  13.08642       1.560731  14.67273       1.775672  -2.106926      3.176117  
1 1 1 11 6  17 o 16.94604 2.016742  2.859422       0.6597703 3.575475       1.045792  2.385997       0.8503515 3.694849       4.033484  
1 1 1 11 6  18 o 46.46426 1.068862  21.70930       0.9930120 22.03337       1.424395  21.40286       1.385091  0.6707993      2.137724  
1 1 1 11 6  19 o 49.43117 0.9744974 24.71610       0.9496309 23.74296       1.456144  25.43628       1.252669  -1.757381      1.948995  
1 1 1 11 6  20 o 25.85651 1.469904  6.876774       0.7312346 6.537749       1.194462  7.079993       0.9247792 -1.164688      2.939807  
1 1 1 11 6  21 o 53.70519 0.9543632 29.23585       1.000052  29.63422       1.285762  28.62580       1.591110  1.050152       1.908726  
1 1 1 11 6  22 o 11.02443 2.443242  1.332326       0.5767398 1.234317       0.7114298 1.520223       0.9850492 -1.041691      4.886484  
1 1 1 11 6  23 o 25.59583 1.486948  7.061140       0.7465297 7.856557       1.006565  6.088725       1.112936  3.605396       2.973896  
1 1 1 11 7  0  o 150.9895 2.124923  232.3317       5.708551  219.4131       10.76979  237.3794       6.732061  0.000000       0.000000  
1 1 1 11 7  1  o 349.6394 3.842254  1220.858       26.22143  1208.291       33.51785  1240.682       42.09664  -4.506683      7.684508  
1 1 1 11 7  2  o 114.8131 1.107559  131.7782       2.514100  132.2241       3.861835  131.4502       3.312090  0.3348389      2.215118  
1 1 1 11 7  3  o 66.61437 0.9718831 43.47790       1.271508  49.02453       2.041715  39.96383       1.625120  6.799572       1.943766  
1 1 1 11 7  4  o 344.1915 3.155204  1188.465       21.58526  1158.941       32.15529  1212.682       29.12195  -7.834900      6.310407  
1 1 1 11 7  5  o 317.8446 2.932205  1000.485       18.20966  963.8179       23.18677  1059.498       29.41522  -14.98935      5.864411  
1 1 1 11 7  6  o 279.7068 2.382613  782.8773       13.32835  780.6589       18.77408  785.1314       18.92508  -0.7979431     4.765226  
1 1 1 11 7  7  o 305.6659 3.683905  935.4710       22.50677  916.6753       31.17203  955.9402       32.53013  -6.396515      7.367811  
1 1 1 11 7  8  f 170.9458 1.714013  290.1055       5.825959  313.3021       8.835625  272.2628       7.749169  11.98845       3.428027  
1 1 1 11 7  9  o 87.75226 0.8487923 76.97531       1.489010  80.26386       2.132353  73.84574       2.080174  3.656487       1.697585  
1 1 1 11 7  10 o 65.79842 0.9574819 41.68901       1.164587  47.53232       2.157156  39.28534       1.383535  6.256290       1.914964  
1 1 1 11 7  11 o 105.7048 1.019324  112.1826       2.106681  109.9279       3.335241  113.6793       2.717388  -1.786041      2.038647  
1 1 1 11 7  12 o 169.4332 1.524450  289.2493       5.056848  278.9620       7.939336  296.2715       6.559525  -5.160843      3.048899  
1 1 1 11 7  13 o 50.88060 0.8475450 25.92218       0.8615415 25.43018       1.240572  26.38053       1.197383  -0.9349403     1.695090  
1 1 1 11 7  14 o 26.04161 1.531746  7.410336       0.7182603 5.186631       1.209105  8.622976       0.8928772 -6.613394      3.063492  
1 1 1 11 7  15 o 27.99990 1.340969  7.817138       0.7485315 8.719769       1.104109  7.049416       1.018261  2.976292       2.681938  
1 1 1 11 7  16 o 120.1238 1.493717  145.5687       3.568640  140.4128       5.279475  149.9063       4.842439  -4.010498      2.987433  
1 1 1 11 7  17 o 44.53031 0.9463686 19.88546       0.8324215 19.91021       1.282210  19.86742       1.094412  0.2712631E-01  1.892737  
1 1 1 11 7  18 o 55.58074 1.038418  30.82472       1.063598  31.68436       1.935310  30.45272       1.273093  0.9840736      2.076837  
1 1 1 11 7  19 o 38.54473 1.086174  15.04632       0.8214794 14.56868       1.281994  15.37907       1.070021  -1.104042      2.172348  
1 1 1 11 7  20 o 66.86524 0.9738956 45.07459       1.290088  45.19738       1.964806  44.98154       1.710446  0.8314514E-01  1.947791  
1 1 1 11 7  21 o 36.05559 1.204815  13.07494       0.8566570 14.05237       1.346472  12.41024       1.110371  2.161243       2.409631  
1 1 1 11 7  22 o 13.78183 2.338208  2.044932       0.5501665 1.944540       0.6207651 2.412521       1.187840  -0.7857676     4.676415  
1 1 1 11 7  23 o 19.43557 1.800610  4.148088       0.6286198 4.190466       0.7472519 4.045491       1.162693  1.094414       3.601221  
1 1 1 11 8  0  f 157.6980 2.749789  249.0042       8.655325  255.4120       12.51980  243.1380       11.97905  0.000000       0.000000  
1 1 1 11 8  1  o 351.6342 3.449285  1237.448       24.24964  1256.708       34.83943  1219.347       33.77373  5.299316       6.898570  
1 1 1 11 8  2  o 357.8475 3.513972  1279.188       25.10578  1328.477       36.83599  1236.431       34.30846  12.83148       7.027945  
1 1 1 11 8  3  o 84.33449 0.8310847 71.37860       1.361386  72.20200       1.735273  70.06052       2.195496  1.270775       1.662169  
1 1 1 11 8  4  o 382.2592 3.245604  1462.446       24.81196  1471.132       35.30547  1453.970       34.87726  2.240540       6.491208  
1 1 1 11 8  5  o 164.8635 1.650210  271.2999       5.431676  262.7225       7.422752  281.1874       7.969456  -5.596756      3.300421  
1 1 1 11 8  6  o 373.9622 3.180974  1399.502       23.78188  1425.480       34.22008  1375.234       33.07448  6.701965       6.361947  
1 1 1 11 8  7  o 357.8596 3.045358  1282.594       21.79608  1285.976       30.89000  1279.241       30.75904  0.9387817      6.090716  
1 1 1 11 8  8  o 28.69740 0.8693461 8.169014       0.4967734 7.270335       0.6703475 9.263779       0.7398744 -3.472700      1.738692  
1 1 1 11 8  9  o 146.0680 1.391262  214.2559       4.037367  220.9044       5.455261  206.2043       6.003421  5.040558       2.782524  
1 1 1 11 8  10 o 98.79037 1.008138  97.40462       1.969446  99.15963       3.033252  96.12553       2.589519  1.529053       2.016277  
1 1 1 11 8  11 o 44.63292 1.287327  19.13922       0.8547347 21.15294       2.150194  18.76130       0.9314938 2.650776       2.574654  
1 1 1 11 8  12 o 77.55528 0.9013645 59.90906       1.385675  62.17128       2.121971  58.22721       1.829644  2.536118       1.802729  
1 1 1 11 8  13 f 77.96077 0.9302848 60.86522       1.449319  58.26499       2.055856  63.43427       2.043492  -3.315636      1.860570  
1 1 1 11 8  14 o 74.39691 1.012020  54.67017       1.383309  57.26048       2.543275  53.58191       1.648475  2.440804       2.024040  
1 1 1 11 8  15 o 58.27988 0.9580814 33.96928       1.115762  32.11439       1.547348  35.97839       1.610392  -3.311375      1.916163  
1 1 1 11 8  16 o 79.06712 1.129103  62.74801       1.722387  62.65253       2.836463  62.80378       2.167819  -0.1660385     2.258207  
1 1 1 11 8  17 o 35.45576 1.045938  12.60060       0.7260546 12.71206       1.153293  12.52743       0.9344804 0.2320099      2.091876  
1 1 1 11 8  18 o 17.81532 2.110977  3.024766       0.7063493 4.360584       1.235978  2.376889       0.8607625 5.641488       4.221954  
1 1 1 11 8  19 o 20.64223 1.639841  4.263071       0.6681405 4.797782       1.052676  3.902339       0.8646237 2.095478       3.279682  
1 1 1 11 8  20 o 16.70375 2.151070  3.059612       0.6762240 2.555238       1.069871  3.395164       0.8726388 -2.935702      4.302139  
1 1 1 11 8  21 o 51.56889 0.9818339 26.95601       1.005958  27.22164       1.351425  26.62594       1.506447  0.6466408      1.963668  
1 1 1 11 8  22 o 8.539279 2.493656  0.3428524      0.6772132 0.3177881E-01  0.8557750 0.8640310      1.107698  -2.548056      4.987311  
1 1 1 11 8  23 o 19.49519 2.430693  5.611300       0.6650379 6.298095       0.7413095 2.779485       1.505284  10.41677       4.861386  
1 1 1 11 9  0  o 394.9030 5.371352  1615.978       38.87989  1426.967       68.46297  1705.953       47.23593  0.000000       0.000000  
1 1 1 11 9  1  o 251.7649 2.326771  631.3203       11.52781  618.7009       14.94771  649.8416       18.10892  -6.160339      4.653542  
1 1 1 11 9  2  o 511.9489 5.321215  2626.759       51.35085  2625.503       62.87205  2629.276       88.99790  0.5407715E-01  10.64243  
1 1 1 11 9  3  o 98.69485 1.170334  97.90071       2.295875  109.5365       3.229361  86.00930       3.264642  11.91929       2.340668  
1 1 1 11 9  4  o 238.8458 2.104793  573.0146       9.792960  581.1569       12.55141  560.3455       15.65632  4.377640       4.209586  
1 1 1 11 9  5  o 295.6429 3.065965  882.7422       17.34365  902.6115       21.71567  847.7430       28.82111  9.364441       6.131930  
1 1 1 11 9  6  o 398.0731 3.382841  1586.460       26.92568  1609.336       38.60254  1564.784       37.57555  5.579987       6.765681  
1 1 1 11 9  7  o 44.50723 0.7960489 19.75114       0.6924392 19.53284       0.8870002 20.09174       1.107965  -0.6266975     1.592098  
1 1 1 11 9  8  o 89.70470 0.9545610 81.06827       1.695612  85.43217       2.282187  75.69101       2.533347  5.431717       1.909122  
1 1 1 11 9  9  o 48.96750 0.8055100 23.34071       0.7580664 21.81059       0.9358951 26.25970       1.292652  -4.539429      1.611020  
1 1 1 11 9  10 o 142.2989 1.375285  202.4176       3.849866  201.3531       5.005068  203.9599       6.024679  -0.8947144     2.750570  
1 1 1 11 9  11 o 76.57920 1.314293  56.70730       1.613278  62.06786       3.677361  55.42971       1.795262  4.286713       2.628587  
1 1 1 11 9  12 o 137.3594 1.275377  187.4931       3.373500  194.0246       5.629596  183.8335       4.213890  3.664642       2.550755  
1 1 1 11 9  13 o 17.51138 1.914623  3.077547       0.6273118 4.552861       0.9560768 1.962282       0.8312653 7.606125       3.829247  
1 1 1 11 9  14 o 197.6809 1.781113  392.9630       6.855444  388.0344       11.00006  396.0930       8.766024  -2.182190      3.562226  
1 1 1 11 9  15 o 123.5896 1.477666  152.9930       3.568163  151.6980       4.571791  155.0111       5.707340  -1.233177      2.955331  
1 1 1 11 9  16 o 80.65596 1.087681  65.18349       1.608401  65.47031       2.937391  65.06068       1.922163  0.1489029      2.175361  
1 1 1 11 9  17 o 28.92377 1.296233  8.428313       0.7484252 9.006470       1.057159  7.847361       1.059712  2.004156       2.592466  
1 1 1 11 9  18 o 29.65312 1.324791  8.379231       0.7522502 10.65140       1.314807  7.273507       0.9172018 5.589392       2.649581  
1 1 1 11 9  19 o 35.17029 1.006637  12.54509       0.7020280 14.23759       0.9846280 10.79509       1.001215  4.898170       2.013273  
1 1 1 11 9  20 o 50.78896 0.8964386 25.96560       0.9067701 25.50317       1.222753  26.53065       1.351646  -0.9683685     1.792877  
1 1 1 11 9  21 o 18.41448 1.827427  3.779333       0.6070776 4.244265       0.7658199 2.993107       0.9958764 3.845957       3.654853  
1 1 1 11 9  22 o 6.881191 2.152603  -0.4156284     0.6367236 0.4350563      0.8877193 -1.316977      0.9137717 2.733425       4.305205  
1 1 1 11 9  23 o 9.596041 2.591825  0.9539473      0.7166375 1.292804       0.8773817 0.2747656      1.242149  1.790628       5.183651  
1 1 1 11 10 0  o 601.3491 7.219738  3627.539       86.77567  3625.127       122.6467  3629.956       122.7921  0.000000       0.000000  
1 1 1 11 10 1  o 271.4340 2.993246  737.3561       15.91734  737.4596       20.54099  737.2004       25.18265  0.8966064E-01  5.986491  
1 1 1 11 10 2  o 184.9832 1.652430  342.1544       5.913071  341.8284       7.466116  342.7029       9.685027  -0.2256622     3.304861  
1 1 1 11 10 3  o 405.7657 3.720150  1649.030       29.89448  1652.771       39.62699  1644.088       45.54181  1.136932       7.440299  
1 1 1 11 10 4  o 355.7776 3.559889  1286.198       23.42629  1318.469       28.38651  1217.290       41.48074  14.38065       7.119778  
1 1 1 11 10 5  o 157.9267 1.644298  245.1952       4.582863  240.5283       5.320386  258.6153       9.022014  -5.701202      3.288596  
1 1 1 11 10 6  o 333.3821 3.673441  1108.746       23.84861  1092.932       30.33463  1134.340       38.59047  -6.060974      7.346882  
1 1 1 11 10 7  o 190.7703 1.940310  368.1206       6.792196  374.2215       8.159953  354.3579       12.25580  5.264282       3.880620  
1 1 1 11 10 8  o 105.9885 1.007941  113.4967       2.097913  119.0662       2.758860  105.8605       3.230428  6.234314       2.015882  
1 1 1 11 10 9  o 281.2388 2.602369  794.5433       14.51914  806.2586       19.41882  779.6918       21.86438  4.805634       5.204738  
1 1 1 11 10 10 o 173.7379 1.638918  302.1646       5.643231  302.5934       8.580241  301.8377       7.491553  0.1889954      3.277836  
1 1 1 11 10 11 o 145.0252 1.401611  210.0963       4.021988  213.7970       6.179296  207.3760       5.297809  2.187256       2.803221  
1 1 1 11 10 12 o 47.82843 0.9782624 22.81718       0.9228001 22.45711       1.204127  23.32962       1.436475  -0.9063873     1.956525  
1 1 1 11 10 13 o 56.39523 0.8565662 31.78039       0.9525240 32.08998       1.479577  31.56127       1.244789  0.4624214      1.713132  
1 1 1 11 10 14 o 32.59904 1.199014  10.66395       0.7697217 10.52479       1.194041  10.76289       1.006844  -0.3737488     2.398028  
1 1 1 11 10 15 o 66.48993 0.9280559 44.12414       1.201154  43.61411       1.527710  44.94989       1.943881  -0.9794388     1.856112  
1 1 1 11 10 16 o 12.03670 2.854902  1.369249       0.7985874 1.600109       1.263045  1.215491       1.030772  1.478419       5.709803  
1 1 1 11 10 17 o 25.21868 1.364445  6.429579       0.6807120 6.215626       1.032345  6.594162       0.9054355 -0.7730465     2.728889  
1 1 1 11 10 18 o 16.44971 1.880418  2.813003       0.6004717 3.190236       0.8510439 2.439030       0.8473585 2.515882       3.760837  
1 1 1 11 10 19 o 22.55147 1.390508  5.196284       0.6077297 5.316881       0.7750019 5.003711       0.9793375 0.7688732      2.781017  
1 1 1 11 10 20 o 24.57337 1.470586  6.175186       0.7217705 5.754118       1.009943  6.614751       1.031886  -1.739048      2.941172  
1 1 1 11 10 21 o 10.52003 2.757898  1.004438       0.7837804 0.5658065      1.048625  1.559671       1.179799  -2.742337      5.515796  
1 1 1 11 10 22 o 17.40321 2.037333  3.463761       0.6602166 4.645878       0.9235059 2.228037       0.9442130 7.196130       4.074665  
1 1 1 11 10 23 o 32.78429 1.369823  11.24046       0.8842969 14.09103       1.303421  8.809411       1.203693  7.923019       2.739647  
1 1 1 11 11 0  o 196.9649 2.401460  388.0868       9.447681  380.4337       13.08202  396.4295       13.65871  0.000000       0.000000  
1 1 1 11 11 1  o 97.61122 1.130527  92.43820       2.005880  102.1020       3.802727  88.71279       2.361068  6.853676       2.261054  
1 1 1 11 11 2  o 253.9155 2.573735  644.4131       11.77840  643.5212       13.90819  646.6746       22.14806  -0.5582733     5.147470  
1 1 1 11 11 3  o 259.1701 2.388889  674.1035       12.33181  699.3101       16.89181  645.3382       18.04485  10.42162       4.777778  
1 1 1 11 11 4  o 346.2139 3.602836  1202.451       23.59411  1206.829       29.01815  1193.911       40.52921  2.025665       7.205672  
1 1 1 11 11 5  f 320.2610 2.948560  1024.560       18.63446  1013.318       24.37602  1040.368       28.90530  -4.163605      5.897119  
1 1 1 11 11 6  o 375.2682 3.686028  1411.184       27.66257  1400.646       38.81422  1422.062       39.43474  -2.840546      7.372056  
1 1 1 11 11 7  o 269.8859 2.383883  727.3183       12.40566  721.8017       15.56748  736.9175       20.53519  -2.704651      4.767766  
1 1 1 11 11 8  o 179.3799 1.680526  322.1879       5.970130  323.1203       7.915479  320.9575       9.092426  0.6233063      3.361052  
1 1 1 11 11 9  o 83.96494 1.104494  71.09962       1.826137  74.11946       2.411331  67.03850       2.796321  4.222450       2.208988  
1 1 1 11 11 10 o 96.04027 0.9461381 93.21474       1.779957  97.40196       2.325448  87.29093       2.765950  5.271042       1.892276  
1 1 1 11 11 11 o 148.9134 1.351741  224.0385       3.952839  233.7924       5.189041  210.5528       6.101460  7.831879       2.703482  
1 1 1 11 11 12 o 104.8914 1.237860  108.4280       2.433918  115.0337       4.324521  105.3654       2.944562  4.564964       2.475720  
1 1 1 11 11 13 o 78.82758 0.8676255 62.19958       1.367157  62.83502       1.908952  61.53044       1.958922  0.8289032      1.735251  
1 1 1 11 11 14 o 70.40817 0.9131152 49.69845       1.269427  50.11599       1.671118  49.12881       1.951887  0.7115555      1.826230  
1 1 1 11 11 15 o 57.08532 0.9112599 32.64614       1.040038  31.70913       1.472317  33.57939       1.469358  -1.638313      1.822520  
1 1 1 11 11 16 o 18.07603 2.075522  2.835077       0.6663959 2.358897       0.7597594 4.423225       1.387511  -5.573089      4.151043  
1 1 1 11 11 17 o 63.98464 0.8822494 41.09391       1.124985  40.68898       1.658179  41.43925       1.531319  -0.6015358     1.764499  
1 1 1 11 11 18 o 18.36399 1.587667  3.429189       0.5760248 3.457589       0.7598637 3.390819       0.8832282 0.2238464      3.175335  
1 1 1 11 11 19 o 25.12756 1.284274  6.410758       0.6333734 6.471881       0.8228043 6.321865       0.9922559 0.3593636      2.568547  
1 1 1 11 11 20 o 27.11926 1.338618  7.558182       0.7189214 8.432402       0.9939699 6.599124       1.041082  3.402601       2.677237  
1 1 1 11 11 21 o 18.86419 1.998175  3.730046       0.7264982 4.762409       1.132648  3.008437       0.9469554 4.659021       3.996349  
1 1 1 11 11 22 o 15.14179 2.624286  2.848759       0.7855889 3.223098       0.9878467 2.204688       1.295760  3.558910       5.248571  
1 1 1 11 11 23 o 20.76830 1.770689  4.715464       0.7278680 4.763663       0.9681929 4.652815       1.103810  0.5143700      3.541378  
1 1 1 11 12 0  o 233.5092 4.019312  546.4739       18.74218  540.1942       26.18084  553.0751       26.84244  0.000000       0.000000  
1 1 1 11 12 1  f 50.71547 0.9289840 24.81177       0.8896053 28.45141       1.582860  23.13129       1.075544  5.243591       1.857968  
1 1 1 11 12 2  o 71.60157 1.039164  51.49806       1.466533  52.66928       1.929416  49.89558       2.256842  1.938019       2.078327  
1 1 1 11 12 3  o 204.7141 2.070644  426.3286       7.862064  438.8701       9.559340  400.1115       13.82123  9.498718       4.141288  
1 1 1 11 12 4  o 256.1128 2.369841  655.1126       11.97744  648.7171       15.67306  664.0914       18.57045  -2.972305      4.739682  
1 1 1 11 12 5  o 184.0434 1.727045  338.7245       6.283979  337.9893       8.278543  339.7239       9.652645  -0.4599609     3.454090  
1 1 1 11 12 6  o 169.7402 1.927711  284.8245       6.309908  301.2872       10.54589  275.6444       7.875072  7.518890       3.855422  
1 1 1 11 12 7  o 262.8141 2.330163  688.5569       11.78038  680.5309       14.72112  702.8491       19.64433  -4.146210      4.660327  
1 1 1 11 12 8  o 50.38324 0.7785026 24.97143       0.7528339 23.96951       0.9321576 26.85073       1.276647  -2.856277      1.557005  
1 1 1 11 12 9  o 111.0358 1.230397  122.7333       2.424675  122.0014       2.832812  124.7383       4.688994  -1.200241      2.460793  
1 1 1 11 12 10 o 170.6182 1.610492  291.4031       5.431546  290.8763       7.153109  292.1205       8.347110  -0.3294067     3.220984  
1 1 1 11 12 11 o 138.7121 1.474842  193.4635       3.689717  194.4688       4.366375  190.9528       6.900287  1.358719       2.949683  
1 1 1 11 12 12 o 108.1783 1.116330  117.0828       2.401098  117.6265       3.599574  116.6470       3.222896  0.4414597      2.232661  
1 1 1 11 12 13 o 67.03558 0.8844199 44.92861       1.170894  44.70517       1.537071  45.23754       1.807360  -0.3891068     1.768840  
1 1 1 11 12 14 o 24.81929 1.610899  5.994092       0.7546985 5.646997       0.9138427 6.738599       1.338385  -2.168184      3.221798  
1 1 1 11 12 15 o 123.6202 1.524436  150.7502       3.577531  145.0485       4.375361  162.2511       6.214114  -6.762558      3.048871  
1 1 1 11 12 16 o 47.36317 0.9288567 22.44725       0.8589327 22.29334       1.099430  22.68834       1.376020  -0.3900681     1.857713  
1 1 1 11 12 17 o 39.09916 1.049276  15.05773       0.8106735 17.35634       1.272622  13.48804       1.051655  4.910904       2.098552  
1 1 1 11 12 18 o 9.163081 2.358672  0.7144135      0.5566890 0.6361594      0.7377847 0.8178636      0.8482847 -0.8722095     4.717345  
1 1 1 11 12 19 o 11.64441 2.251235  1.380988       0.5595517 0.8279239      0.7438512 2.101851       0.8492291 -4.639434      4.502471  
1 1 1 11 12 20 o 24.91294 1.392377  6.430306       0.6793762 7.781057       0.9514069 5.024964       0.9704419 5.540966       2.784753  
1 1 1 11 12 21 o 27.18426 1.383776  7.714852       0.7417404 8.219266       0.9922583 7.075994       1.116691  2.209059       2.767552  
1 1 1 11 12 22 o 22.55610 1.608738  5.477446       0.7117296 6.408320       0.9846331 4.458870       1.029972  4.380741       3.217476  
1 1 1 11 12 23 o 13.13921 2.724760  2.226814       0.7631225 2.442604       1.107492  2.031735       1.053005  1.190081       5.449521  
1 1 1 11 13 0  o 327.0404 3.943521  1070.782       25.76772  1089.464       37.04889  1053.276       35.86219  0.000000       0.000000  
1 1 1 11 13 1  o 205.4659 1.769879  421.7835       7.266088  411.2634       10.01611  433.4701       10.55680  -5.400635      3.539757  
1 1 1 11 13 2  o 160.0386 1.401009  256.1760       4.484294  256.6016       6.352059  255.7532       6.331491  0.2649384      2.802017  
1 1 1 11 13 3  f 152.7620 1.577577  236.7950       4.457048  242.5431       5.398733  224.4915       7.898428  5.924377       3.155153  
1 1 1 11 13 4  o 142.3532 1.512336  200.7070       3.831920  198.3758       4.478380  207.0786       7.403862  -3.037247      3.024672  
1 1 1 11 13 5  o 187.6288 1.880632  352.2399       7.057203  352.4676       9.974409  352.0117       9.986387  0.1216278      3.761263  
1 1 1 11 13 6  o 297.7231 2.621079  890.3937       15.17623  899.3615       19.37710  876.1644       24.40833  3.997223       5.242157  
1 1 1 11 13 7  o 281.4900 2.489072  791.2290       13.50430  784.5687       16.93317  802.8669       22.38362  -3.121948      4.978145  
1 1 1 11 13 8  o 244.5874 2.162487  602.5728       10.32927  615.4171       13.32451  583.2299       16.35139  6.661026       4.324975  
1 1 1 11 13 9  o 53.12149 0.9336423 27.90629       0.8518730 27.60501       0.9770873 28.86100       1.739318  -1.171764      1.867285  
1 1 1 11 13 10 o 147.9689 2.065128  221.1508       4.928350  222.3373       5.533302  216.5969       10.83990  2.140961       4.130256  
1 1 1 11 13 11 o 108.3461 1.232043  115.1385       2.326324  112.7615       2.681508  122.3708       4.677331  -4.374115      2.464086  
1 1 1 11 13 12 o 265.2277 2.729458  695.6652       12.74726  682.7413       14.78631  733.0711       25.15540  -8.706818      5.458917  
1 1 1 11 13 13 o 14.68841 2.266165  2.280501       0.6403629 2.439319       0.8389798 2.058852       0.9911403 1.311353       4.532331  
1 1 1 11 13 14 o 51.74158 1.020601  27.00562       1.000879  27.43125       1.237482  26.20054       1.701941  1.213299       2.041202  
1 1 1 11 13 15 o 18.63638 1.637444  3.402714       0.5974514 3.078251       0.7573996 3.937154       0.9720582 -2.276030      3.274888  
1 1 1 11 13 16 o 42.32330 0.9303935 18.03404       0.7842125 19.19721       1.085148  16.76244       1.134591  2.881287       1.860787  
1 1 1 11 13 17 o 41.77831 1.048134  17.43971       0.8587562 18.10731       1.366142  17.00359       1.104184  1.272163       2.096268  
1 1 1 11 13 18 o 68.81183 0.9141167 47.20222       1.248923  50.68596       1.907831  44.58974       1.652126  4.379951       1.828233  
1 1 1 11 13 19 o 42.96696 0.9061487 18.54072       0.7756258 18.11731       1.046246  19.05737       1.155705  -1.065559      1.812297  
1 1 1 11 13 20 o 11.81092 2.803500  1.145263       0.7333093 0.6735764      0.8598805 2.403102       1.404184  -5.502450      5.607000  
1 1 1 11 13 21 o 18.36555 2.003352  3.713746       0.7048679 4.313538       0.9771477 3.063061       1.017760  3.709124       4.006704  
1 1 1 11 13 22 f 15.45388 2.325427  2.802623       0.6967034 3.016574       0.9611904 2.565787       1.011293  1.560152       4.650855  
1 1 1 11 13 23 o 17.07421 2.476232  3.653047       0.8247108 4.017537       1.109839  3.203611       1.232400  3.041938       4.952464  
1 1 1 11 14 0  o 32.89900 1.342118  10.98386       0.8714561 11.51306       1.187965  10.36729       1.282282  0.000000       0.000000  
1 1 1 11 14 1  o 150.6424 1.329371  226.9755       4.005171  227.2645       5.675302  226.6888       5.653099  0.1909637      2.658743  
1 1 1 11 14 2  o 365.3848 3.357673  1336.038       24.26263  1331.453       31.98352  1342.254       37.23780  -1.404114      6.715346  
1 1 1 11 14 3  o 182.0633 1.712812  330.3774       6.141299  324.8174       7.982887  338.4394       9.612631  -3.728607      3.425623  
1 1 1 11 14 4  o 38.89596 0.9713519 15.35048       0.7435889 16.78817       0.9984289 13.55982       1.114269  4.150528       1.942704  
1 1 1 11 14 5  o 155.8973 1.636668  241.4879       4.557494  239.4688       5.341914  246.8889       8.736633  -2.343140      3.273336  
1 1 1 11 14 6  o 230.1237 2.333918  536.4914       9.879806  546.5084       11.89886  514.2555       17.72817  7.120667       4.667836  
1 1 1 11 14 7  o 349.3718 3.542471  1216.823       22.12748  1206.663       25.95607  1243.844       42.33048  -4.725067      7.084941  
1 1 1 11 14 8  f 217.5550 2.228302  473.4828       8.725996  472.5465       10.29451  475.8724       16.44618  -0.5821838     4.456604  
1 1 1 11 14 9  o 71.12783 0.9740698 51.49070       1.251282  52.71254       1.489255  48.55737       2.307503  2.933517       1.948140  
1 1 1 11 14 10 o 116.5434 1.247881  139.2335       2.731419  146.2276       3.378887  126.0441       4.640037  8.691719       2.495762  
1 1 1 11 14 11 o 104.3145 1.303798  108.2262       2.621830  106.3027       3.281083  111.6237       4.360766  -2.515289      2.607596  
1 1 1 11 14 12 o 111.5680 1.317642  123.7676       2.731116  122.2829       3.290110  127.0578       4.897836  -2.077080      2.635285  
1 1 1 11 14 13 o 46.13137 0.9218631 21.37024       0.8452305 22.00919       1.143533  20.60079       1.254885  1.530151       1.843726  
1 1 1 11 14 14 o 52.59700 1.000029  28.52391       1.007163  31.02990       1.287854  24.57783       1.616067  6.152500       2.000059  
1 1 1 11 14 15 f 113.2558 1.249628  128.4073       2.825795  135.3002       4.145936  122.4269       3.861738  5.651039       2.499256  
1 1 1 11 14 16 o 52.22801 0.9395957 27.40670       0.9796095 26.04271       1.404136  28.70016       1.367350  -2.548031      1.879191  
1 1 1 11 14 17 o 14.86671 2.109986  2.327443       0.6024587 2.417984       0.7759454 2.190020       0.9559543 1.114255       4.219973  
1 1 1 11 14 18 o 28.21599 1.321971  8.079274       0.6995568 8.139119       0.8544586 7.957611       1.218311  0.4260387      2.643941  
1 1 1 11 14 19 o 11.33712 2.406569  1.347649       0.5851055 1.216658       0.7749612 1.521321       0.8923233 -1.167376      4.813138  
1 1 1 11 14 20 o 29.36700 1.306041  8.599812       0.7485856 7.978665       0.9459519 9.640575       1.224471  -2.685640      2.612082  
1 1 1 11 14 21 f 34.95942 1.316086  12.94429       0.8927917 14.48140       1.179664  10.88350       1.365909  5.308369       2.632171  
1 1 1 11 14 22 o 8.526160 2.438249  0.4796410      0.6468092 0.1400833      0.8450184 0.9600635      1.005127  -2.342942      4.876498  
1 1 1 11 14 23 o 8.737184 2.716009  0.4059507      0.9152284 0.3715205      1.350999  0.4351543      1.244239  0.1054306      5.432018  
1 1 1 11 15 0  o 123.3810 1.592621  152.3851       3.926280  151.4898       5.491301  153.3215       5.615996  0.000000       0.000000  
1 1 1 11 15 1  o 387.4464 3.559701  1504.318       27.33150  1509.628       36.31598  1497.380       41.50727  1.661102       7.119401  
1 1 1 11 15 2  o 524.3881 4.812413  2757.890       49.94746  2757.464       66.05281  2758.460       76.32912  0.1277466      9.624826  
1 1 1 11 15 3  o 369.1613 3.141156  1364.468       23.18936  1376.962       33.08958  1352.410       32.50758  3.316467       6.282312  
1 1 1 11 15 4  o 440.8606 4.336760  1949.854       38.23743  1943.674       53.88299  1956.123       54.27090  -1.401581      8.673520  
1 1 1 11 15 5  o 168.9730 1.534671  285.1494       5.007223  283.6896       6.299317  287.6548       8.252365  -1.149857      3.069343  
1 1 1 11 15 6  o 87.38232 0.9325235 76.20559       1.568837  75.75636       1.965311  76.99470       2.604709  -0.7030487     1.865047  
1 1 1 11 15 7  o 275.1063 2.445750  752.4435       12.87992  738.4103       15.96952  778.5616       21.78636  -7.130676      4.891500  
1 1 1 11 15 8  o 106.3147 1.050345  112.9575       2.151923  112.6260       2.701172  113.5335       3.560287  -0.4138412     2.100690  
1 1 1 11 15 9  f 144.8441 1.396051  210.4365       4.006300  213.2735       5.333553  206.7632       6.068945  2.265732       2.792101  
1 1 1 11 15 10 o 30.14745 1.083724  9.350391       0.6104332 9.868268       0.7526408 8.354848       1.043529  2.517384       2.167448  
1 1 1 11 15 11 o 52.15232 0.9373628 27.08908       0.9737130 25.90341       1.308343  28.56116       1.457831  -2.544456      1.874726  
1 1 1 11 15 12 o 166.4341 1.511096  279.7904       4.927179  289.4388       6.419137  265.9533       7.687220  7.116211       3.022192  
1 1 1 11 15 13 o 70.46722 0.9315719 50.64337       1.227341  52.48788       1.505786  46.99237       2.118502  3.920509       1.863144  
1 1 1 11 15 14 o 54.07747 0.9123774 29.04404       0.9770079 27.66211       1.281611  30.96140       1.509613  -3.037022      1.824755  
1 1 1 11 15 15 f 27.80415 1.371224  7.862043       0.7393019 8.174537       0.9476408 7.376070       1.181763  1.466528       2.742448  
1 1 1 11 15 16 o 9.534317 2.579350  -0.1220103     0.7785999 1.649892       1.262716  -1.208958      0.9889860 6.677228       5.158700  
1 1 1 11 15 17 o 29.36534 1.164775  8.675353       0.6770305 8.618011       0.8942358 8.752367       1.036335  -0.1979218     2.329550  
1 1 1 11 15 18 o 45.33987 0.8940338 20.72849       0.8073147 21.51240       1.105696  19.83342       1.181500  1.867203       1.788068  
1 1 1 11 15 19 o 61.10384 1.016791  37.68108       1.236728  37.80612       1.671580  37.52985       1.838275  0.2773972      2.033582  
1 1 1 11 15 20 o 25.31761 1.543926  6.614542       0.7758076 6.156607       1.143780  7.004744       1.055808  -1.726540      3.087851  
1 1 1 11 15 21 o 11.44991 2.615833  1.500271       0.6850471 1.656893       0.8807184 1.260366       1.090010  1.140402       5.231667  
1 1 1 11 15 22 o 23.22051 1.684807  5.882489       0.7622685 7.219243       1.069700  4.503373       1.086518  5.873735       3.369614  
1 1 1 11 15 23 o 17.99349 2.899125  4.128015       1.002793  5.473672       1.634328  3.315504       1.269949  4.489567       5.798249  
1 1 1 11 16 0  o 54.07649 1.710111  29.64629       1.824955  25.58441       2.609242  33.53622       2.553416  0.000000       0.000000  
1 1 1 11 16 1  o 196.1970 1.839859  385.1153       7.143980  385.0528       10.92089  385.1621       9.445228  -0.4069519E-01 3.679718  
1 1 1 11 16 2  o 376.3010 3.463543  1415.979       25.73091  1403.174       33.71440  1433.844       39.82131  -3.967865      6.927085  
1 1 1 11 16 3  o 169.0364 1.598815  285.4775       5.340660  288.2971       8.231181  283.4275       7.018586  1.428787       3.197629  
1 1 1 11 16 4  o 72.64142 0.8727971 52.88396       1.265378  50.37709       1.819674  55.23125       1.760806  -3.341568      1.745594  
1 1 1 11 16 5  o 211.8651 1.895503  447.7799       7.739138  443.7735       9.700679  454.7946       12.83586  -2.549530      3.791005  
1 1 1 11 16 6  o 197.8522 1.771993  394.5505       6.867002  406.1693       8.928452  377.7240       10.74462  7.221954       3.543985  
1 1 1 11 16 7  o 49.07119 0.8818587 24.36429       0.8299119 25.11287       1.044442  23.08206       1.366931  2.072952       1.763717  
1 1 1 11 16 8  o 130.2848 1.223924  171.3665       3.127120  178.2870       4.089266  161.6196       4.852991  6.410782       2.447847  
1 1 1 11 16 9  o 129.5518 1.513996  168.6902       3.860819  171.8347       5.057744  164.2995       5.976617  2.934814       3.027993  
1 1 1 11 16 10 o 81.65926 0.9346763 66.09076       1.482030  64.18012       1.869995  69.31770       2.430231  -3.132553      1.869353  
1 1 1 11 16 11 o 62.51401 0.8641370 39.48614       1.034078  40.47870       1.296339  37.74955       1.714703  2.192467       1.728274  
1 1 1 11 16 12 o 118.2017 1.305022  141.9003       2.824121  144.9424       3.391658  135.0225       5.099768  4.268333       2.610044  
1 1 1 11 16 13 o 74.10052 0.9006316 54.66659       1.263694  54.05563       1.550217  55.87670       2.181722  -1.204956      1.801263  
1 1 1 11 16 14 o 47.67455 0.9478536 22.75927       0.8932356 22.71927       1.176369  22.81372       1.372683  -0.8689880E-01 1.895707  
1 1 1 11 16 15 o 99.54114 1.166896  99.46275       2.319809  99.25001       3.195459  99.69982       3.373161  -0.2047348     2.333791  
1 1 1 11 16 16 o 83.63103 0.9969987 69.89745       1.658497  72.96436       2.500099  67.48711       2.216385  3.237671       1.993997  
1 1 1 11 16 17 o 23.12839 1.633045  5.367486       0.7007787 5.259486       0.8423016 5.610355       1.263109  -0.6176834     3.266091  
1 1 1 11 16 18 o 34.68602 1.015305  12.08002       0.6994829 11.80282       0.9312348 12.43889       1.059583  -0.8844261     2.030611  
1 1 1 11 16 19 o 13.77586 2.448927  2.103483       0.6965311 2.809422       0.9763480 1.371822       0.9939759 4.689249       4.897854  
1 1 1 11 16 20 o 26.21400 1.774384  7.177786       0.9248815 7.546780       1.265168  6.754250       1.355455  1.583200       3.548769  
1 1 1 11 16 21 o 35.19939 1.178822  12.76922       0.8228373 13.00195       1.101158  12.47496       1.238194  0.8635559      2.357645  
1 1 1 11 16 22 o 8.698441 2.496748  0.4741468      0.6960428 -0.2945543E-01 0.9267609 1.125793       1.054217  -2.863400      4.993495  
1 1 1 11 17 0  o 69.25511 1.183046  48.00879       1.634930  47.13199       2.254856  48.98071       2.374025  0.000000       0.000000  
1 1 1 11 17 1  o 283.4535 3.133118  806.2870       17.45795  796.2925       27.24484  813.2495       22.73987  -3.072418      6.266235  
1 1 1 11 17 2  f 325.1480 3.399728  1057.830       20.80015  1064.217       36.22335  1054.688       25.40627  1.231140       6.799455  
1 1 1 11 17 3  o 166.7661 1.806160  274.1400       5.580476  289.2891       10.12467  267.5295       6.688099  6.478073       3.612319  
1 1 1 11 17 4  o 87.29042 0.8954134 76.20365       1.562951  75.84296       2.187856  76.57956       2.233544  -0.4215698     1.790827  
1 1 1 11 17 5  o 167.6214 1.473653  281.1302       4.940140  280.2915       6.952766  281.9854       7.020552  -0.5043030     2.947306  
1 1 1 11 17 6  o 217.2142 2.033377  472.0144       8.727483  469.5033       11.47246  475.4638       13.44625  -1.324280      4.066754  
1 1 1 11 17 7  o 167.0296 1.593004  279.3746       5.265577  279.9636       6.964061  278.5883       8.045835  0.4363251      3.186007  
1 1 1 11 17 8  o 107.4346 1.122060  115.3184       2.378660  114.4427       3.113408  116.5462       3.686644  -0.9680328     2.244121  
1 1 1 11 17 9  o 133.1220 1.258813  177.6004       3.235630  178.2160       4.079157  176.5559       5.313476  0.6565704      2.517625  
1 1 1 11 17 10 o 122.1723 1.311905  149.4436       3.205453  149.5124       4.514608  149.3736       4.552014  0.5803680E-01  2.623811  
1 1 1 11 17 11 o 143.3661 1.529834  207.0965       3.980290  208.7291       4.733292  203.1546       7.354981  2.057648       3.059669  
1 1 1 11 17 12 o 74.90558 0.9092211 56.04414       1.296582  55.79838       1.602567  56.50986       2.206128  -0.4562836     1.818442  
1 1 1 11 17 13 o 102.9070 1.089429  106.4815       2.217037  108.9731       2.943344  103.2140       3.370646  2.821136       2.178859  
1 1 1 11 17 14 o 20.39774 2.077411  3.992148       0.8211125 3.418339       1.018425  5.058031       1.388034  -3.963034      4.154823  
1 1 1 11 17 15 o 36.36188 1.042285  12.85518       0.7386225 11.57816       0.9276898 15.06660       1.220784  -4.764595      2.084570  
1 1 1 11 17 16 o 28.40051 1.336954  8.231641       0.7464043 8.844352       0.9927018 7.434717       1.132139  2.508356       2.673908  
1 1 1 11 17 17 o 18.77435 1.669277  3.620777       0.6112755 3.765527       0.7917505 3.407172       0.9617983 1.014772       3.338553  
1 1 1 11 17 18 o 32.92752 1.110804  11.09723       0.7152020 11.78005       0.9366661 10.14249       1.107577  2.538519       2.221609  
1 1 1 11 17 19 o 33.44869 1.071353  11.34257       0.7154479 11.88729       1.000586  10.77275       1.023392  1.675125       2.142705  
1 1 1 11 17 20 o 28.14988 1.420912  8.224074       0.7937961 8.636733       1.076682  7.732664       1.174937  1.684242       2.841825  
1 1 1 11 17 21 o 9.333556 2.542368  0.7969754      0.6650207 0.7055973      0.8740494 0.9225922      1.024800  -0.8710842     5.084736  
1 1 1 11 17 22 o 25.18545 1.894565  6.725994       0.9359235 8.807322       1.488442  5.364936       1.203649  6.299166       3.789129  
1 1 1 11 18 0  o 35.78876 1.771728  12.42020       1.147040  14.41885       2.173383  11.64858       1.350429  0.000000       0.000000  
1 1 1 11 18 1  o 205.8510 2.192423  422.0226       8.448774  430.2634       14.91132  418.1262       10.25346  2.873642       4.384846  
1 1 1 11 18 2  o 232.9265 2.006531  542.9933       9.346865  539.6490       13.12842  546.4308       13.31039  -1.452911      4.013061  
1 1 1 11 18 3  o 197.3205 1.716139  388.9510       6.764223  402.7957       9.868763  376.6837       9.289597  6.608185       3.432279  
1 1 1 11 18 4  o 65.84882 0.8103390 43.36926       1.067065  43.42902       1.497850  43.30767       1.520520  0.9231567E-01  1.620678  
1 1 1 11 18 5  f 180.9722 1.582357  327.6487       5.725513  323.2008       7.979999  332.3676       8.219509  -2.528397      3.164715  
1 1 1 11 18 6  o 154.3220 1.429615  236.2201       4.216217  231.3334       5.214341  245.4488       7.165745  -4.536102      2.859229  
1 1 1 11 18 7  o 47.00092 1.052861  23.22232       0.8865354 24.86237       1.064166  19.50235       1.602697  5.710281       2.105722  
1 1 1 11 18 8  o 99.50315 1.198648  98.99303       2.220628  98.83475       2.686823  99.33421       3.944600  -0.2231598     2.397297  
1 1 1 11 18 9  o 68.46153 0.9140296 46.32829       1.218425  44.52792       1.541275  49.32813       1.989516  -3.495674      1.828059  
1 1 1 11 18 10 o 71.48519 1.169773  51.12677       1.672429  51.12677       1.672429  ?              ?         ?              ?         
1 1 1 11 18 11 o 78.15622 0.9110352 61.72092       1.376538  63.55926       1.750889  58.74560       2.227479  3.092979       1.822070  
1 1 1 11 18 12 o 90.69091 0.9796138 82.53506       1.712328  83.10854       2.155261  81.55347       2.819667  0.8806915      1.959228  
1 1 1 11 18 13 o 75.76096 1.097727  56.84591       1.504498  55.97065       1.775060  59.07866       2.835070  -1.983406      2.195455  
1 1 1 11 18 14 o 93.97926 1.233085  88.83083       2.250838  89.40258       2.865561  87.90984       3.636902  0.8771439      2.466170  
1 1 1 11 18 15 o 68.50747 0.9646927 46.92545       1.317851  48.81128       1.954471  45.35327       1.784545  2.506104       1.929385  
1 1 1 11 18 16 o 32.16788 1.363581  10.42177       0.7966958 10.39048       0.9457803 10.49824       1.478370  -0.4157639E-01 2.727162  
1 1 1 11 18 17 o 10.36820 2.549797  0.9319923      0.6347927 0.6577122      0.7981530 1.404144       1.047201  -2.789343      5.099594  
1 1 1 11 18 18 o 25.14256 1.387063  6.238382       0.6792701 5.674423       0.8531533 7.214934       1.122668  -2.955580      2.774125  
1 1 1 11 18 19 o 13.04816 2.548393  1.951844       0.7062342 2.370028       0.8950010 1.261789       1.149693  3.451033       5.096786  
1 1 1 11 18 20 o 45.84901 1.076164  21.38451       0.9851823 23.17602       1.429903  19.76557       1.359294  3.673344       2.152328  
1 1 1 11 18 21 o 9.422033 2.627146  0.7791185      0.7215428 0.7722868      0.9424554 0.7887942      1.121596  -0.4100933     5.254293  
1 1 1 11 18 22 o 9.607806 2.634753  0.9370615      0.7208861 0.8839703      0.9670318 1.003469       1.081522  -0.4698620     5.269506  
1 1 1 11 19 0  o 129.7156 2.015149  171.3961       5.107934  152.8329       7.835346  185.1159       6.736058  0.000000       0.000000  
1 1 1 11 19 1  o 63.18732 0.9604725 39.87203       1.211897  41.00948       1.773320  38.87526       1.660045  1.687878       1.920945  
1 1 1 11 19 2  o 127.4577 1.265102  163.1232       3.202936  168.2983       4.325698  156.8425       4.765434  4.498917       2.530204  
1 1 1 11 19 3  o 107.9322 1.105046  116.6484       2.363388  117.4024       3.141757  115.6657       3.586992  0.8092422      2.210092  
1 1 1 11 19 4  o 134.9551 1.224132  182.1837       3.303737  184.2902       4.712679  180.1479       4.632725  1.533615       2.448265  
1 1 1 11 19 5  o 79.18542 0.9829589 62.70563       1.556471  64.12743       2.223164  61.33871       2.179840  1.760338       1.965918  
1 1 1 11 19 6  f 101.8292 1.085981  102.1688       2.144650  97.63767       2.692529  110.0328       3.547140  -6.072716      2.171961  
1 1 1 11 19 7  o 195.7635 1.761770  387.2227       6.773933  403.8055       8.894021  364.3154       10.45336  10.13284       3.523540  
1 1 1 11 19 8  o 109.8916 1.264577  119.9398       2.466788  118.8626       2.880254  122.9048       4.778440  -1.790726      2.529153  
1 1 1 11 19 9  o 24.91988 1.414577  5.951567       0.6882083 5.022823       0.8660836 7.542631       1.133589  -5.046261      2.829153  
1 1 1 11 19 10 o 49.66929 1.101544  25.59251       0.9523054 26.60240       1.114193  22.85487       1.834478  3.793163       2.203088  
1 1 1 11 19 11 o 91.80003 0.9917114 84.20348       1.742948  83.84575       2.168668  84.85610       2.929120  -0.5255737     1.983423  
1 1 1 11 19 12 o 61.76967 0.9136466 38.63770       1.076207  39.73719       1.344320  36.67545       1.795911  2.494705       1.827293  
1 1 1 11 19 13 o 33.02177 1.263129  10.96137       0.8101189 11.04239       1.031515  10.83095       1.308693  0.3428078      2.526258  
1 1 1 11 19 14 o 50.32280 1.081241  26.26445       0.9369873 27.16342       1.089004  23.70182       1.838648  3.513805       2.162483  
1 1 1 11 19 15 o 11.59012 2.699337  1.130423       0.6861724 0.7872287      0.8187185 1.940515       1.257859  -4.191197      5.398675  
1 1 1 11 19 16 o 27.96497 1.369522  7.775989       0.7388954 7.458986       0.9214609 8.346953       1.236659  -1.509014      2.739043  
1 1 1 11 19 17 o 38.24033 1.064662  14.50377       0.7994230 13.63006       1.024041  15.86704       1.279154  -2.864918      2.129324  
1 1 1 11 19 18 o 12.06811 2.728759  1.574360       0.7761751 2.023874       0.9560597 0.7052742      1.329365  3.143396       5.457519  
1 1 1 11 19 19 o 30.94956 1.479555  9.731634       0.9109884 9.015043       1.214340  10.65405       1.377739  -2.550674      2.959111  
1 1 1 11 19 20 o 23.99976 1.679440  6.067251       0.8049278 6.466394       1.143403  5.675101       1.133343  1.637342       3.358879  
1 1 1 11 19 21 o 10.38736 2.644555  1.169564       0.6888379 1.042643       0.8780794 1.372664       1.110758  -1.155071      5.289111  
1 1 1 11 19 22 o 15.70188 2.576981  3.085575       0.8070088 2.237512       1.104145  4.058176       1.182439  -5.261196      5.153962  
1 1 1 11 20 0  o 107.5897 1.821410  114.5797       3.622969  119.7556       6.566098  112.3142       4.344103  0.000000       0.000000  
1 1 1 11 20 1  o 24.15915 1.472745  5.615497       0.6973981 7.115635       1.129217  4.690492       0.8867146 5.015640       2.945490  
1 1 1 11 20 2  o 215.3975 2.022070  463.4701       8.594310  470.7842       13.33546  458.2742       11.23984  2.860886       4.044141  
1 1 1 11 20 3  o 94.95421 1.101545  90.11819       2.090936  87.57776       2.903227  92.85607       3.013941  -2.778038      2.203091  
1 1 1 11 20 4  o 266.9645 2.479267  713.9901       13.09253  712.3686       17.27538  716.1782       20.06817  -0.6259155     4.958534  
1 1 1 11 20 5  o 127.9226 1.271063  163.4668       3.210077  162.0171       4.206143  165.4893       4.967800  -1.343369      2.542126  
1 1 1 11 20 6  o 45.62809 1.140290  19.41812       0.9069209 18.10171       1.035499  23.75340       1.879163  -6.178093      2.280581  
1 1 1 11 20 7  o 37.82251 1.218852  14.04602       0.8166149 13.74527       0.9495507 14.90023       1.600290  -1.512108      2.437703  
1 1 1 11 20 8  o 134.8510 1.281460  182.3215       3.343013  183.1158       4.227187  180.9952       5.462193  0.8245544      2.562920  
1 1 1 11 20 9  o 93.58211 1.057048  87.17646       1.935955  85.43359       2.481377  89.88767       3.094864  -2.363373      2.114097  
1 1 1 11 20 10 o 164.3499 1.516358  271.3119       4.830784  273.4275       6.132463  267.8524       7.842075  1.772842       3.032715  
1 1 1 11 20 11 o 35.55699 1.208852  12.90919       0.8314525 13.77504       1.070636  11.59348       1.319771  3.077892       2.417704  
1 1 1 11 20 12 o 63.19541 0.9586462 40.01349       1.185452  40.11924       1.527196  39.85319       1.880318  0.2265587      1.917292  
1 1 1 11 20 13 o 46.66218 1.033721  21.73360       0.9344967 21.48266       1.179643  22.15643       1.531260  -0.6975098     2.067443  
1 1 1 11 20 14 o 47.14757 1.393741  24.38685       1.057561  26.05834       1.208557  18.92343       2.184983  7.694996       2.787481  
1 1 1 11 20 15 o 16.54792 2.166582  2.801431       0.6956884 2.132117       0.9356915 3.628778       1.040307  -4.739857      4.333163  
1 1 1 11 20 16 o 34.10328 1.207449  12.04058       0.7944842 13.20217       1.029915  10.33355       1.248518  4.257193       2.414899  
1 1 1 11 20 17 o 54.64877 0.9360830 30.00257       1.011432  29.79725       1.331444  30.28272       1.555257  -0.3948975     1.872166  
1 1 1 11 20 18 o 34.57660 1.158334  12.13012       0.7857465 12.29077       1.020799  11.89654       1.230880  0.6435013      2.316669  
1 1 1 11 20 19 o 41.61830 1.181394  17.56597       0.9829139 17.00941       1.366212  18.16314       1.415181  -1.364021      2.362788  
1 1 1 11 20 20 o 44.18896 1.083960  20.00034       0.9484038 20.24919       1.260695  19.67588       1.439514  0.7783318      2.167919  
1 1 1 11 20 21 o 29.07860 1.568941  8.954409       0.9100125 9.647960       1.348180  8.373948       1.233374  2.024242       3.137882  
1 1 1 11 20 22 o 8.350621 2.659555  0.5552860E-01  0.8695558 -0.2219576     1.052199  0.6533010      1.544347  -2.352944      5.319110  
1 1 1 11 21 0  o 125.3713 2.370450  157.5717       5.932677  153.9903       8.273380  161.3625       8.511846  0.000000       0.000000  
1 1 1 11 21 1  f 161.2025 1.434121  259.6898       4.619065  267.4036       6.716325  252.7669       6.362698  4.534103       2.868242  
1 1 1 11 21 2  o 153.6831 1.375821  236.3268       4.228701  235.0619       5.954624  237.6139       6.006282  -0.8294067     2.751641  
1 1 1 11 21 3  o 91.36487 1.006423  83.50848       1.817918  83.51939       2.396356  83.49369       2.790202  0.1921082E-01  2.012846  
1 1 1 11 21 4  o 152.1396 1.472557  231.5518       4.433392  232.4559       6.786534  230.8787       5.855515  0.4988861      2.945113  
1 1 1 11 21 5  o 169.7824 1.624064  287.8515       5.444026  293.1541       8.434784  284.0654       7.127340  2.643982       3.248128  
1 1 1 11 21 6  o 200.5596 2.017798  402.6694       8.087486  413.0716       11.72015  393.2136       11.17424  4.930679       4.035597  
1 1 1 11 21 7  o 57.19525 0.8542234 32.64564       0.9739289 33.69031       1.446213  31.77870       1.317460  1.668758       1.708447  
1 1 1 11 21 8  o 139.1852 1.652767  195.3278       4.553114  184.5685       6.843523  203.8729       6.098788  -6.965591      3.305535  
1 1 1 11 21 9  o 112.4194 1.186070  125.8997       2.620010  123.3144       3.385583  129.7597       4.136807  -2.842766      2.372139  
1 1 1 11 21 10 o 87.88200 1.037844  77.72501       1.810072  81.27547       2.447721  73.44043       2.688900  4.465767       2.075688  
1 1 1 11 21 11 f 30.45995 1.277618  9.026183       0.7408874 8.471720       0.9047903 10.15454       1.290727  -2.744184      2.555236  
1 1 1 11 21 12 f 71.67822 0.9236675 51.42938       1.266457  51.37705       1.575460  51.52498       2.129171  -0.7328033E-01 1.847335  
1 1 1 11 21 13 o 10.85390 2.681709  0.7155742      0.6575028 0.3214099      0.7569836 1.926548       1.326830  -5.846488      5.363417  
1 1 1 11 21 14 o 29.26479 1.407334  8.520030       0.7991247 8.238341       1.006462  9.000541       1.314512  -1.256598      2.814668  
1 1 1 11 21 15 o 27.39552 1.351180  7.387986       0.7278657 6.669445       0.9316732 8.513491       1.166034  -3.318232      2.702359  
1 1 1 11 21 16 o 33.49348 1.195464  11.67275       0.7717460 13.08802       1.008021  9.668247       1.199647  5.153292       2.390927  
1 1 1 11 21 17 o 32.24537 1.265933  10.72088       0.7930268 11.51257       1.031144  9.574642       1.240734  3.074385       2.531866  
1 1 1 11 21 18 o 19.31824 1.916727  3.851299       0.7220166 3.762120       0.9198218 3.994449       1.165378  -0.4258938     3.833453  
1 1 1 11 21 19 o 12.99718 2.622557  1.954307       0.7468283 2.469855       0.9640393 1.180536       1.181045  3.886387       5.245113  
1 1 1 11 21 20 o 32.08470 1.378428  10.66512       0.8838277 10.36991       1.220639  10.99047       1.281417  -0.9089870     2.756855  
1 1 1 11 21 21 o 13.81765 2.764327  2.402432       0.8373651 3.178138       1.170941  1.590535       1.197946  4.680169       5.528655  
1 1 1 11 21 22 o 9.079038 2.871645  0.3304497      1.086306  0.7749221      1.429456  -0.2771185     1.671267  0.9548378      5.743290  
1 1 1 11 22 0  f 219.9989 3.327089  484.9786       13.73848  487.5943       23.98273  483.7010       16.76117  0.000000       0.000000  
1 1 1 11 22 1  o 183.0442 1.610430  335.3743       5.895535  334.7202       8.315026  336.0355       8.360249  -0.3583069     3.220860  
1 1 1 11 22 2  o 93.70320 1.040020  87.98038       1.927682  88.81242       2.550958  86.87277       2.943240  1.040611       2.080039  
1 1 1 11 22 3  o 64.69077 0.9085826 41.90843       1.162479  42.17261       1.536432  41.55471       1.777853  0.4807434      1.817165  
1 1 1 11 22 4  o 267.6096 2.302608  717.7912       12.32378  715.9289       17.36878  719.6793       17.48875  -0.6964417     4.605215  
1 1 1 11 22 5  o 47.25243 0.9576342 22.09578       0.8828332 21.28864       1.121145  23.41302       1.432258  -2.242653      1.915268  
1 1 1 11 22 6  o 11.33992 2.525353  1.307736       0.6611863 1.683473       0.8162785 0.5908916      1.127479  2.738251       5.050706  
1 1 1 11 22 7  o 124.5034 1.155687  155.1553       2.877378  155.0020       4.036456  155.3138       4.102808  -0.1232910     2.311373  
1 1 1 11 22 8  o 150.5217 1.478541  226.4313       4.386707  224.0661       5.722633  229.8014       6.830959  -1.863586      2.957082  
1 1 1 11 22 9  o 134.0036 1.290766  178.9834       3.314127  176.9447       4.120695  182.7175       5.576785  -2.099121      2.581532  
1 1 1 11 22 10 o 56.38096 0.9493437 31.63853       1.020026  31.24086       1.259719  32.39572       1.738258  -1.008911      1.898687  
1 1 1 11 22 11 o 43.68143 1.064687  19.58757       0.8667256 20.52360       1.063840  17.73981       1.494708  3.205460       2.129374  
1 1 1 11 22 12 o 40.12298 1.214071  15.26656       0.8271211 14.54721       0.9363030 17.82264       1.764948  -4.017384      2.428142  
1 1 1 11 22 13 o 20.01156 2.489601  4.337973       0.6910093 4.422722       0.7516633 3.875505       1.755876  1.946407       4.979203  
1 1 1 11 22 14 o 25.92530 1.448793  6.461678       0.7305002 5.527584       0.9119893 8.133841       1.220207  -4.974438      2.897586  
1 1 1 11 22 15 f 9.187034 2.408804  0.3912317      0.5796100 -0.3501040E-01 0.6950225 1.364629       1.050306  -4.986320      4.817607  
1 1 1 11 22 16 o 53.52709 1.111792  29.21991       1.105843  29.86139       1.344549  27.87876       1.944108  1.989574       2.223585  
1 1 1 11 22 17 o 38.02637 1.203351  14.64240       0.9140972 14.91566       1.269728  14.34839       1.317026  0.7622833      2.406702  
1 1 1 11 22 18 o 28.14034 1.499918  7.953705       0.8010458 7.649624       0.9800295 8.565786       1.390429  -1.408070      2.999835  
1 1 1 11 22 19 o 10.88415 2.803633  1.100394       0.8120173 0.5542707      1.084030  1.798599       1.225708  -3.353667      5.607267  
1 1 1 11 22 20 o 16.83259 2.458151  3.500635       0.7872769 4.202799       1.002135  2.368675       1.272397  5.965696       4.916302  
1 1 1 11 22 21 o 20.13548 2.619249  5.579789       0.9389644 7.063452       1.173941  2.945104       1.564383  11.01187       5.238498  
1 1 1 11 23 0  o 153.3673 1.953666  235.5325       5.986713  239.7998       8.585479  231.4939       8.352318  0.000000       0.000000  
1 1 1 11 23 1  o 188.9714 1.658333  357.4809       6.267166  355.1299       8.804586  359.8954       8.922818  -1.258026      3.316666  
1 1 1 11 23 2  o 85.17337 0.9154618 72.55619       1.559170  71.85578       2.180183  73.28943       2.230682  -0.8409042     1.830924  
1 1 1 11 23 3  o 125.0150 1.428794  156.1558       3.357360  155.6275       4.095802  157.2376       5.861491  -0.6043243     2.857588  
1 1 1 11 23 4  o 127.7168 1.281606  163.2348       3.233176  163.1487       4.250854  163.3529       4.980040  -0.6333160E-01 2.563212  
1 1 1 11 23 5  o 51.13129 1.342616  25.74426       1.081294  25.48475       1.199937  26.86533       2.493992  -1.317566      2.685231  
1 1 1 11 23 6  f 150.4248 1.353431  226.5184       4.070951  224.6609       5.690413  228.4658       5.826385  -1.260269      2.706861  
1 1 1 11 23 7  o 53.78214 1.022264  29.34635       1.069066  27.11800       1.689439  30.83457       1.380651  -3.463024      2.044527  
1 1 1 11 23 8  o 196.4611 1.784179  387.9242       6.808097  391.2097       8.671224  382.6438       10.99282  2.291977       3.568359  
1 1 1 11 23 9  o 42.14897 1.231840  16.98410       0.8950084 16.25767       1.021114  19.39230       1.859184  -3.685837      2.463680  
1 1 1 11 23 10 o 115.2431 1.336306  132.6334       2.742609  132.1354       3.212778  133.9711       5.265782  -0.7002792     2.672613  
1 1 1 11 23 11 o 57.84821 0.9435442 33.67296       1.049121  34.11495       1.317796  32.90798       1.733679  1.063805       1.887088  
1 1 1 11 23 12 o 68.83017 0.9712725 47.27958       1.293258  46.74363       1.628983  48.19328       2.126925  -1.019012      1.942545  
1 1 1 11 23 13 o 35.16405 1.338931  12.44109       0.9407254 12.97519       1.323922  11.89643       1.336947  1.535709       2.677862  
1 1 1 11 23 14 o 21.35411 1.626327  4.637869       0.6543640 4.707426       0.8044122 4.501801       1.125093  0.5479374      3.252655  
1 1 1 11 23 15 o 29.29485 1.422019  8.107599       0.6897191 7.700013       0.7724113 9.711268       1.532130  -3.234640      2.844038  
1 1 1 11 23 16 o 24.72067 1.838821  6.435680       0.8085432 6.693389       0.9590142 5.802233       1.503540  2.018229       3.677641  
1 1 1 11 23 17 o 43.80386 1.065895  19.55770       0.9130513 20.39183       1.188692  18.35737       1.425945  2.393120       2.131789  
1 1 1 11 23 18 f 8.956036 2.535775  0.2447686E-01  0.7939087 -1.233953      1.122304  1.284937       1.123209  -4.687340      5.071551  
1 1 1 11 23 19 o 13.91281 2.629324  2.329429       0.8314201 3.430400       1.110595  0.9256821      1.254041  7.117194       5.258648  
1 1 1 11 23 20 o 31.05503 1.493163  9.871556       0.8962978 9.167519       1.115731  11.15260       1.505024  -2.730635      2.986326  
1 1 1 11 23 21 o 13.01078 2.794158  2.135837       0.7939856 2.408683       1.141206  1.879853       1.105382  1.556189       5.588315  
1 1 1 11 24 0  o 51.02336 1.678924  26.11478       1.559647  26.47753       2.861830  25.96152       1.860160  0.000000       0.000000  
1 1 1 11 24 1  o 107.7923 1.051144  116.2137       2.265696  118.2689       3.241976  114.2516       3.167671  1.862114       2.102287  
1 1 1 11 24 2  o 54.14895 1.051144  29.15273       1.134624  27.00829       1.531498  31.76180       1.689283  -4.386433      2.102288  
1 1 1 11 24 3  o 168.2812 1.613765  283.2710       5.368143  281.6224       7.063112  285.5256       8.260032  -1.124161      3.227529  
1 1 1 11 24 4  o 235.4283 2.203111  555.6451       10.26261  554.8619       13.55498  556.6971       15.70920  -0.2955627     4.406223  
1 1 1 11 24 5  o 42.11536 0.9538205 17.76035       0.8028235 18.38578       1.129236  17.12116       1.141593  1.501659       1.907641  
1 1 1 11 24 6  o 117.1065 1.196695  137.5531       2.787038  134.5536       4.143380  140.0318       3.766460  -2.350334      2.393391  
1 1 1 11 24 7  o 56.24888 0.9491868 31.37107       1.041692  30.39873       1.324473  32.94796       1.686689  -2.257076      1.898374  
1 1 1 11 24 8  o 36.71043 1.037791  13.48120       0.7615657 13.26015       1.057061  13.71978       1.098147  -0.6247292     2.075582  
1 1 1 11 24 9  o 127.1295 1.243064  162.3037       3.059210  163.6537       3.876185  160.0737       4.981655  1.454300       2.486128  
1 1 1 11 24 10 o 101.4065 1.088007  103.3562       2.126177  104.4230       2.678006  101.5371       3.497024  1.459435       2.176015  
1 1 1 11 24 11 o 41.77545 1.204853  17.16325       0.9859396 15.95675       1.254640  19.11128       1.594244  -3.749134      2.409707  
1 1 1 11 24 12 o 29.62905 1.457054  7.998585       0.7616262 7.188729       0.8707678 10.63537       1.571217  -5.724514      2.914109  
1 1 1 11 24 13 f 29.36427 1.287062  8.680070       0.7039967 8.705853       0.8533324 8.625126       1.245710  0.1901073      2.574124  
1 1 1 11 24 14 o 13.75231 2.664287  1.696525       0.6398814 1.453761       0.7152466 2.669791       1.432122  -4.053938      5.328575  
1 1 1 11 24 15 o 10.95800 2.526954  1.175821       0.5861145 1.152246       0.6829289 1.241740       1.141957  -0.9545527     5.053907  
1 1 1 11 24 16 o 11.27699 2.763685  0.9345190      0.6412267 0.6719115      0.7158787 2.000317       1.442193  -5.036289      5.527371  
1 1 1 11 24 17 o 52.51124 1.016310  27.82945       1.055169  27.80940       1.391275  27.85661       1.618935  0.2914810E-01  2.032620  
1 1 1 11 24 18 o 14.83616 2.641166  2.425769       0.7889590 1.938203       1.075108  2.994739       1.161395  -3.220405      5.282333  
1 1 1 11 24 19 o 25.97119 1.638442  7.306030       0.8070900 7.928061       1.023811  6.284882       1.311773  3.473295       3.276883  
1 1 1 11 24 20 o 21.48216 2.430748  5.521964       0.9320892 5.885982       1.147983  4.817724       1.596738  3.765589       4.861497  
1 1 1 11 24 21 o 10.24562 3.021765  1.035618       1.054056  0.3806750      1.467634  1.733338       1.514804  -2.357721      6.043529  
1 1 1 11 25 0  o 259.5511 3.176847  674.3002       16.44658  649.9302       22.41362  702.7279       24.20782  0.000000       0.000000  
1 1 1 11 25 1  o 57.47927 0.8690974 33.05331       0.9990435 33.46384       1.412822  32.64273       1.412900  0.7142677      1.738195  
1 1 1 11 25 2  o 154.7978 1.504434  239.2065       4.592216  235.7431       5.991227  244.1395       7.150134  -2.678146      3.008868  
1 1 1 11 25 3  o 101.8303 1.096214  103.9219       2.212086  104.9339       2.943797  102.6094       3.352654  1.150826       2.192428  
1 1 1 11 25 4  o 32.99033 1.056828  10.92003       0.6954603 11.46144       0.9657973 10.33695       1.002275  1.705212       2.113657  
1 1 1 11 25 5  o 58.76720 0.9354745 34.62222       1.095960  33.65672       1.602885  35.46988       1.501882  -1.545036      1.870949  
1 1 1 11 25 6  o 60.09266 0.8494129 36.10828       1.019024  35.77790       1.396735  36.48427       1.490019  -0.5856972     1.698826  
1 1 1 11 25 7  o 72.28102 0.8831646 52.26756       1.276581  53.26389       1.819938  51.30252       1.791123  1.356033       1.766329  
1 1 1 11 25 8  o 61.06425 0.8863194 37.33577       1.081647  37.93641       1.508446  36.70009       1.551836  1.013577       1.772639  
1 1 1 11 25 9  o 54.29483 1.006146  29.07921       1.035770  28.20112       1.266908  30.84916       1.798689  -2.419216      2.012292  
1 1 1 11 25 10 o 82.63991 1.057578  67.65901       1.710482  64.96459       2.183619  71.93769       2.751683  -4.187691      2.115155  
1 1 1 11 25 11 o 46.00119 1.052757  21.01392       0.9261194 20.56665       1.146209  21.85502       1.571816  -1.370438      2.105513  
1 1 1 11 25 12 o 66.04090 0.9960266 44.00140       1.301798  45.82201       1.741897  41.69808       1.959250  3.143753       1.992053  
1 1 1 11 25 13 o 44.71569 1.234107  20.07162       0.9359050 20.04640       1.070049  20.15373       1.930585  0.4592896E-02  2.468215  
1 1 1 11 25 14 o 20.84628 1.603088  4.301746       0.6315879 4.104596       0.7678034 4.714317       1.110711  -1.362186      3.206177  
1 1 1 11 25 15 o 8.721628 2.481109  0.3974627      0.6658637 0.5931771      0.8626345 0.1089481      1.047368  0.5066061      4.962218  
1 1 1 11 25 16 o 16.10979 2.663502  2.620600       0.6993090 2.520935       0.7731431 3.068918       1.639760  -0.8462648     5.327005  
1 1 1 11 25 17 o 26.93613 1.770501  7.218797       0.9307181 6.297899       1.170127  8.804836       1.535621  -4.409996      3.541001  
1 1 1 11 25 18 o 23.67321 1.798892  5.813751       0.8437330 4.804602       1.147707  7.000504       1.244612  -4.553732      3.597784  
1 1 1 11 25 19 o 32.51013 1.745321  10.31524       0.9800926 9.509542       1.114465  13.06503       2.058883  -4.339518      3.490642  
1 1 1 11 25 20 o 32.32728 1.556010  11.14394       1.002650  12.07113       1.412974  10.20354       1.423001  2.903130       3.112019  
1 1 1 11 25 21 o 12.85259 3.151114  2.227897       1.062231  3.595453       1.570937  1.075937       1.441800  5.538284       6.302227  
1 1 1 11 26 0  o 154.7582 2.425968  240.1938       7.086563  239.9982       8.698666  240.5800       12.21987  0.000000       0.000000  
1 1 1 11 26 1  o 90.33348 1.038533  81.27122       1.852016  79.34606       2.418389  84.00139       2.879951  -2.566048      2.077066  
1 1 1 11 26 2  o 106.0459 1.134728  112.8149       2.390391  110.2004       3.572753  114.9337       3.216319  -2.241333      2.269457  
1 1 1 11 26 3  o 83.76522 1.147106  70.06615       1.797729  69.76508       2.183148  70.70033       3.168487  -0.5302429     2.294211  
1 1 1 11 26 4  o 80.71009 0.9719894 65.18851       1.558578  65.15350       2.342628  65.21632       2.087663  -0.4513550E-01 1.943979  
1 1 1 11 26 5  o 120.8740 1.333225  146.0830       3.217872  142.8013       4.407681  149.8283       4.708740  -2.896439      2.666449  
1 1 1 11 26 6  o 58.43530 0.9913111 33.67037       1.115668  32.38921       1.388338  36.00598       1.874536  -3.081207      1.982622  
1 1 1 11 26 7  o 137.3961 1.370676  188.4745       3.717102  192.8928       5.771615  185.3431       4.858964  2.707397       2.741352  
1 1 1 11 26 8  o 122.2640 1.250899  150.0975       3.043385  145.5455       4.497746  153.9417       4.133306  -3.449432      2.501798  
1 1 1 11 26 9  o 43.95890 1.085437  19.33493       0.9038411 19.29966       1.111777  19.40368       1.552175  -0.9796524E-01 2.170874  
1 1 1 11 26 10 o 73.83054 1.031814  54.55386       1.492010  54.31248       1.922186  54.91970       2.366463  -0.3817215     2.063629  
1 1 1 11 26 11 o 57.91658 1.093934  34.29306       1.142290  35.19630       1.359211  32.12105       2.107718  2.723877       2.187867  
1 1 1 11 26 12 o 74.21596 1.104894  54.74858       1.439045  54.18053       1.669168  56.39322       2.840140  -1.358162      2.209787  
1 1 1 11 26 13 f 36.24334 1.115966  13.29414       0.7433701 13.44769       0.8931921 12.94807       1.340898  0.7537575      2.231931  
1 1 1 11 26 14 o 32.23188 1.213014  10.19129       0.7119711 9.813396       0.8400006 11.15533       1.341668  -1.965462      2.426027  
1 1 1 11 26 15 o 46.33623 1.089124  21.43987       0.9896642 20.69389       1.269947  22.59352       1.579277  -1.974110      2.178249  
1 1 1 11 26 16 o 9.342301 2.545526  0.7042458      0.6252838 0.9369721      0.6956494 -0.2746996     1.426746  0.5634003      5.091052  
1 1 1 11 26 17 o 58.21161 1.014047  34.12115       1.163975  33.47281       1.517393  35.04809       1.814341  -1.240448      2.028094  
1 1 1 11 26 18 o 30.50443 1.446852  9.306067       0.8643236 8.091032       1.094579  11.31849       1.408679  -5.017506      2.893705  
1 1 1 11 26 19 o 32.05583 1.417630  10.87432       0.8946310 11.97598       1.209540  9.543665       1.329325  3.924730       2.835259  
1 1 1 11 26 20 o 7.049920 2.325724  -0.7007850     0.8131099 -1.063680      1.143932  -0.3302021     1.155985  -0.9436040     4.651448  
1 1 1 11 27 0  o 81.79086 1.325396  67.04657       2.165505  67.33654       3.054511  66.75356       3.070525  0.000000       0.000000  
1 1 1 11 27 1  o 85.35255 0.9409271 72.89611       1.606185  72.99453       2.278594  72.79890       2.264449  0.1142731      1.881854  
1 1 1 11 27 2  o 93.54321 1.189602  86.18296       2.071298  91.41617       3.729964  83.84965       2.490614  4.007759       2.379204  
1 1 1 11 27 3  o 121.2755 1.483359  147.1472       3.530709  148.1400       5.564817  146.4783       4.567852  0.6480408      2.966718  
1 1 1 11 27 4  o 94.41824 1.213604  89.39744       2.160279  88.78566       3.736115  89.70470       2.647776  -0.5205307     2.427208  
1 1 1 11 27 5  o 96.68008 1.074460  93.73286       2.062092  92.05723       3.097035  95.06732       2.763809  -1.566788      2.148920  
1 1 1 11 27 6  o 99.37810 1.093402  99.02084       2.156886  97.56088       3.243091  100.1788       2.888249  -1.329384      2.186803  
1 1 1 11 27 7  f 136.0131 1.261576  185.0012       3.427516  180.0625       4.708069  190.5703       4.999530  -3.850250      2.523151  
1 1 1 11 27 8  o 127.2041 1.196195  162.0489       3.042710  161.2871       4.259937  162.8422       4.347482  -0.6071777     2.392390  
1 1 1 11 27 9  o 32.12421 1.121082  10.31076       0.7188850 9.466276       0.9899702 11.25286       1.045625  -2.777235      2.242165  
1 1 1 11 27 10 o 32.37735 2.123746  9.942662       0.9154960 9.738868       0.9754443 11.44945       2.652356  -2.414228      4.247493  
1 1 1 11 27 11 o 64.92122 1.008483  42.03965       1.290529  40.97388       1.678162  43.58212       2.018872  -1.974815      2.016967  
1 1 1 11 27 12 o 52.33284 0.9815270 27.44390       1.000407  27.34313       1.276033  27.60464       1.611575  -0.2119446     1.963054  
1 1 1 11 27 13 o 29.51988 1.340074  8.811999       0.7773910 8.909261       1.012828  8.672542       1.212787  0.4469433      2.680149  
1 1 1 11 27 14 o 47.82116 1.002035  22.54051       0.8694466 21.92253       1.025271  24.12280       1.640558  -2.170147      2.004069  
1 1 1 11 27 15 o 15.58313 2.396611  2.710523       0.7630351 3.933642       1.047327  1.326865       1.113940  8.001755       4.793222  
1 1 1 11 27 16 o 11.52134 2.795841  1.251209       0.6870539 1.175820       0.7817824 1.506968       1.439957  -1.869100      5.591682  
1 1 1 11 27 17 o 25.11152 1.718394  6.525843       0.8438201 6.588663       1.089210  6.431543       1.334485  0.4753227      3.436788  
1 1 1 11 27 18 o 40.11513 1.176462  16.73317       0.9279684 19.79959       1.296949  13.51670       1.328303  7.855587       2.352925  
1 1 1 11 27 19 o 22.15602 2.571651  6.247910       0.9964467 7.627198       1.263817  3.981746       1.619953  9.176601       5.143302  
1 1 1 11 27 20 o 21.20463 2.452374  5.337524       0.9922640 5.157161       1.542532  5.464841       1.295994  -1.656223      4.904749  
1 1 1 11 28 0  o 117.5196 1.979913  139.1708       4.395121  136.5736       7.525195  140.5154       5.414613  0.000000       0.000000  
1 1 1 11 28 1  o 167.5026 1.617954  280.5689       5.355242  284.5063       8.262946  277.7173       7.032007  1.975830       3.235909  
1 1 1 11 28 2  o 140.4928 1.295508  197.5730       3.639559  194.9227       5.089577  200.3468       5.206647  -1.926422      2.591015  
1 1 1 11 28 3  o 184.5266 1.888720  340.3492       6.954392  326.3912       9.454498  356.8044       10.26547  -8.199524      3.777440  
1 1 1 11 28 4  o 26.83956 1.393741  7.262626       0.7287447 5.258734       1.005570  9.479248       1.057599  -7.860439      2.787483  
1 1 1 11 28 5  o 71.78949 0.9042728 51.58672       1.297969  52.15663       1.820099  50.99697       1.851514  0.8085861      1.808546  
1 1 1 11 28 6  o 29.03803 1.287979  8.450776       0.7461582 8.524445       1.022395  8.366822       1.091440  0.2744102      2.575958  
1 1 1 11 28 7  o 143.9989 1.324528  207.5408       3.811378  203.2038       5.262502  212.3256       5.527458  -3.154282      2.649056  
1 1 1 11 28 8  o 142.3568 1.416436  202.6416       3.976774  199.8176       5.191305  206.6525       6.186772  -2.331467      2.832872  
1 1 1 11 28 9  f 69.29836 1.175382  49.14804       1.496121  50.79436       1.807364  45.56397       2.666716  3.837830       2.350765  
1 1 1 11 28 10 o 47.10952 1.028101  22.63529       0.9274021 23.68472       1.170350  20.86429       1.520372  3.025276       2.056202  
1 1 1 11 28 11 o 10.02890 2.605958  0.5144981      0.7145745 -0.1215153     0.9041755 1.572632       1.166245  -5.051678      5.211915  
1 1 1 11 28 12 o 10.27283 2.729676  0.6694469      0.7039801 0.4144443      0.8305643 1.320036       1.326643  -3.675554      5.459352  
1 1 1 11 28 13 o 38.26180 1.140435  14.62979       0.8250676 14.40903       1.009990  15.07265       1.430497  -0.7800255     2.280869  
1 1 1 11 28 14 o 21.90556 1.779706  4.852459       0.7656200 4.694380       0.9861566 5.092309       1.214729  -0.8209229     3.559412  
1 1 1 11 28 15 o 15.66441 2.450743  2.736631       0.7512193 3.183378       0.9689280 2.063415       1.189426  3.815375       4.901486  
1 1 1 11 28 16 o 37.34834 1.210092  14.16545       0.8694519 14.16828       1.090506  14.16052       1.440458  0.1668472      2.420184  
1 1 1 11 28 17 o 13.75717 2.733521  1.818928       0.7118540 1.403718       0.8237749 3.043129       1.414493  -4.878617      5.467041  
1 1 1 11 28 18 o 46.87601 1.372963  22.75134       1.156156  22.75090       1.365729  22.75244       2.171952  0.7163620      2.745927  
1 1 1 11 28 19 o 20.18763 2.264341  4.656695       0.8870823 5.303396       1.271700  4.043788       1.238025  3.330790       4.528681  
1 1 1 11 28 20 o 11.42524 3.145611  1.746080       1.049825  2.178495       1.469281  1.295054       1.500566  1.792969       6.291223  
1 1 1 11 29 0  o 240.7541 2.965251  582.1522       14.26824  582.7068       20.18913  581.5988       20.16758  0.000000       0.000000  
1 1 1 11 29 1  o 44.29174 1.384337  19.23776       1.207294  17.47313       1.551138  21.94956       1.922879  -5.038868      2.768673  
1 1 1 11 29 2  o 151.1236 1.786991  229.0233       5.280897  228.7801       8.397935  229.1823       6.791796  -0.2157898     3.573982  
1 1 1 11 29 3  o 87.89088 1.038945  77.42181       1.811144  78.13094       2.416958  76.51373       2.735140  0.9300995      2.077891  
1 1 1 11 29 4  o 112.7200 1.194809  126.5661       2.654196  123.5074       3.450592  130.9980       4.153620  -3.295387      2.389619  
1 1 1 11 29 5  o 33.35663 1.211036  11.14825       0.8025268 11.19432       1.075817  11.09046       1.205031  0.1609764      2.422072  
1 1 1 11 29 6  o 48.17823 1.044263  23.23999       0.9956793 23.25334       1.316547  23.22216       1.521871  0.4022598E-01  2.088526  
1 1 1 11 29 7  o 71.15884 0.9257876 50.69351       1.316344  50.72392       1.823154  50.66040       1.902566  0.4799652E-01  1.851575  
1 1 1 11 29 8  o 95.52644 1.010772  91.37789       1.930128  90.11947       2.680020  92.73396       2.782067  -1.361855      2.021544  
1 1 1 11 29 9  o 42.59608 0.9639465 18.13529       0.8201225 19.11174       1.197645  17.27311       1.125382  2.152885       1.927893  
1 1 1 11 29 10 o 8.081802 2.471554  -0.1483315     0.7293508 -0.3359813     0.9634414 0.1035715      1.116267  -1.440055      4.943107  
1 1 1 11 29 11 o 42.32582 1.080019  17.68655       0.8631614 17.11132       1.050850  18.87954       1.513359  -2.030724      2.160038  
1 1 1 11 29 12 o 45.79362 1.125037  21.07684       1.027051  20.86758       1.394235  21.32512       1.518668  -0.4762421     2.250075  
1 1 1 11 29 13 o 44.42644 1.218478  19.88979       1.001989  19.84705       1.206786  19.98468       1.797863  -0.2468109E-02 2.436956  
1 1 1 11 29 14 o 33.18828 1.256399  10.83076       0.7711251 10.37072       0.9195637 11.92079       1.415473  -2.189362      2.512798  
1 1 1 11 29 15 o 12.42647 2.828113  1.551888       0.7880208 1.234193       1.009170  2.048258       1.261427  -2.621297      5.656225  
1 1 1 11 29 16 o 18.72449 2.060285  4.074334       0.6696058 4.780124       0.8314514 2.771720       1.129554  5.844102       4.120570  
1 1 1 11 29 17 o 24.61551 1.645158  6.345116       0.7513985 6.362599       0.9099008 6.307627       1.332363  0.5185089      3.290316  
1 1 1 11 29 18 o 14.05383 2.552802  2.217505       0.7764577 1.089500       1.032505  3.685740       1.177971  -7.656562      5.105604  
1 1 1 11 29 19 o 19.75538 2.278110  4.550202       0.8618645 3.685092       1.227288  5.391952       1.210604  -4.649542      4.556220  
1 1 1 11 30 0  o 26.58706 1.902652  7.289774       0.9920228 7.405227       1.439182  7.185264       1.369290  0.000000       0.000000  
1 1 1 11 30 1  o 221.7869 2.247131  493.9703       9.964958  487.4142       13.89860  500.9055       14.29491  -3.013107      4.494261  
1 1 1 11 30 2  o 153.8225 1.402762  236.8722       4.313252  232.0632       5.983242  242.0754       6.223575  -3.243500      2.805523  
1 1 1 11 30 3  o 61.67273 1.071488  38.06675       1.320269  35.74817       1.849056  40.47831       1.885769  -3.833549      2.142976  
1 1 1 11 30 4  o 64.01981 1.008020  40.72174       1.268072  42.61715       2.008543  39.46556       1.635152  2.448425       2.016039  
1 1 1 11 30 5  o 37.64166 1.208435  14.03987       0.8929296 14.95632       1.423755  13.44568       1.146418  1.994064       2.416870  
1 1 1 11 30 6  o 86.11755 1.054017  74.03619       1.791225  75.66916       2.782402  72.88043       2.340798  1.598061       2.108034  
1 1 1 11 30 7  o 50.17063 1.036542  25.34122       1.029426  24.28810       1.553604  26.16547       1.374458  -1.882404      2.073084  
1 1 1 11 30 8  o 86.67159 1.113224  75.02812       1.925800  79.67210       2.835652  71.05254       2.623669  4.956314       2.226448  
1 1 1 11 30 9  o 103.4669 1.139350  107.1195       2.330642  109.4531       3.595053  105.4277       3.061026  1.887123       2.278699  
1 1 1 11 30 10 o 78.13748 1.097414  60.89849       1.632694  62.50137       2.788397  60.06224       2.014056  1.471596       2.194829  
1 1 1 11 30 11 o 51.67715 0.9762133 26.76480       0.9544896 26.69143       1.172490  26.90894       1.643502  -0.1507149     1.952427  
1 1 1 11 30 12 o 45.21457 1.106620  20.64272       0.9746923 20.88739       1.248830  20.26138       1.559071  0.7547417      2.213240  
1 1 1 11 30 13 o 50.00665 1.185667  25.97995       1.042702  26.89419       1.225853  23.58762       1.982987  3.488331       2.371333  
1 1 1 11 30 14 o 23.35652 1.889399  5.862411       0.7510541 6.126516       0.8724834 5.106738       1.475827  2.484234       3.778798  
1 1 1 11 30 15 o 44.94626 1.139079  20.32164       0.9927094 19.87565       1.252295  21.07582       1.628471  -1.180527      2.278159  
1 1 1 11 30 16 o 31.66126 1.411630  10.27537       0.8273630 10.33768       0.9993903 10.13966       1.475002  0.5627251      2.823260  
1 1 1 11 30 17 o 11.90076 2.694281  1.676242       0.7319784 1.922687       0.8916105 1.166770       1.281963  2.050188       5.388563  
1 1 1 11 30 18 o 27.18314 1.663224  7.923172       0.8965166 8.737437       1.241899  7.037055       1.295533  3.201071       3.326447  
1 1 1 11 30 19 o 8.438292 2.706988  -0.1887082     0.9905438 0.2801170E-01  1.462936  -0.3721766     1.346035  0.8179712      5.413975  
1 1 1 11 31 0  o 10.33288 3.880487  1.547735       1.065502  1.390935       1.439361  1.737826       1.584812  0.000000       0.000000  
1 1 1 11 31 1  o 110.6639 1.197643  122.6120       2.629162  122.4549       3.501036  122.8152       3.981528  -0.1431503     2.395286  
1 1 1 11 31 2  o 142.0097 1.315342  201.9168       3.734716  205.7511       5.362169  198.3044       5.204722  2.614731       2.630684  
1 1 1 11 31 3  o 85.52222 0.9716069 73.03866       1.659766  76.74645       2.422692  69.75918       2.278469  4.080002       1.943214  
1 1 1 11 31 4  o 60.29733 0.9350876 36.35681       1.126932  35.42355       1.559716  37.37614       1.630054  -1.616531      1.870175  
1 1 1 11 31 5  o 74.05915 0.9339483 54.90862       1.382971  54.78255       1.932320  55.04103       1.980191  -0.1723938     1.867897  
1 1 1 11 31 6  o 18.64019 2.061017  3.574210       0.7328352 2.669761       1.013891  4.563624       1.060446  -5.329918      4.122034  
1 1 1 11 31 7  o 90.04988 1.235218  80.94604       2.058419  80.33605       2.474513  82.31632       3.708843  -0.9998093     2.470437  
1 1 1 11 31 8  o 83.86070 1.027298  69.60737       1.683161  66.48627       2.139793  74.67250       2.725931  -4.825630      2.054595  
1 1 1 11 31 9  o 80.23703 0.9719315 64.70844       1.555879  61.67351       2.245121  67.51277       2.158145  -3.647629      1.943863  
1 1 1 11 31 10 o 22.89985 1.401607  5.310452       0.6377485 4.681298       0.9108111 5.915606       0.8932701 -2.698088      2.803214  
1 1 1 11 31 11 o 22.40591 1.697646  5.058785       0.7168095 4.992301       0.8752342 5.194224       1.249220  -0.3397617     3.395291  
1 1 1 11 31 12 o 36.70385 1.308116  12.72127       0.8534994 11.77308       0.9843553 15.59336       1.713180  -4.999756      2.616232  
1 1 1 11 31 13 o 23.15409 2.531680  5.888507       0.7665857 5.974807       0.8273631 5.365013       2.037740  2.347420       5.063359  
1 1 1 11 31 14 o 31.67150 1.589453  10.46349       0.8266949 10.64872       0.9383809 9.821314       1.747203  1.650396       3.178905  
1 1 1 11 31 15 o 32.05184 1.346812  10.26205       0.8119337 9.888691       0.9844702 11.05616       1.435756  -1.604452      2.693624  
1 1 1 11 31 16 o 13.30771 2.666204  2.097009       0.7351074 2.326798       0.8894608 1.601812       1.305721  2.311482       5.332408  
1 1 1 11 31 17 o 8.226564 2.499783  0.1570550      0.6836730 0.4369138E-01  0.8159115 0.4242584      1.252643  -2.114808      4.999565  
1 1 1 11 31 18 o 19.30449 2.306445  4.291568       0.8673973 4.609954       1.213798  3.959293       1.239991  2.031557       4.612890  
1 1 1 11 31 19 o 11.73389 3.068980  1.730207       0.9853960 2.805145       1.502913  0.9196648      1.305059  4.136806       6.137960  
1 1 1 11 32 0  o 98.52493 1.479306  96.99154       2.903822  93.25953       3.933601  101.4609       4.304692  0.000000       0.000000  
1 1 1 11 32 1  o 95.57211 1.033141  91.42273       1.974475  92.76524       2.823364  90.13768       2.762296  1.372208       2.066283  
1 1 1 11 32 2  o 74.83457 0.9503643 56.05011       1.421479  55.79128       1.972894  56.32954       2.049863  -0.3566742     1.900729  
1 1 1 11 32 3  o 64.26320 1.003551  41.58879       1.273211  42.97686       1.687515  39.75437       1.939945  2.518509       2.007102  
1 1 1 11 32 4  o 95.52200 1.101687  91.09399       2.070616  89.69183       2.686876  93.14443       3.249197  -1.774651      2.203373  
1 1 1 11 32 5  o 53.67953 1.002706  28.77230       1.065204  28.23221       1.402096  29.50957       1.638151  -1.174702      2.005412  
1 1 1 11 32 6  o 78.12317 1.316411  61.13224       2.056844  61.13224       2.056844  ?              ?         ?              ?         
1 1 1 11 32 7  o 25.61305 1.635632  6.513346       0.8190170 6.195364       1.041808  7.027846       1.325192  -1.583593      3.271263  
1 1 1 11 32 8  o 27.98917 1.447933  7.400757       0.7735687 9.528485       1.364499  6.393000       0.9390599 5.537241       2.895866  
1 1 1 11 32 9  o 74.38733 0.9646414 55.62324       1.427446  56.77144       1.932948  54.24596       2.117010  1.717834       1.929283  
1 1 1 11 32 10 o 37.48590 1.027142  14.11151       0.7698932 14.09799       1.077198  14.12563       1.100772  -0.3340149E-01 2.054283  
1 1 1 11 32 11 o 11.75534 2.569459  1.344562       0.6660465 0.9570034      0.8588233 1.929430       1.055029  -3.363037      5.138919  
1 1 1 11 32 12 o 74.14751 1.063483  55.51140       1.563892  56.65760       2.093606  54.06447       2.352281  1.807182       2.126965  
1 1 1 11 32 13 o 46.57026 1.104019  21.93647       0.9602119 22.01045       1.167014  21.78142       1.689502  0.4037209      2.208039  
1 1 1 11 32 14 o 43.76471 1.182872  19.00386       1.001966  17.88882       1.251271  20.99663       1.672767  -3.382393      2.365744  
1 1 1 11 32 15 o 46.23846 1.154391  22.22148       1.019158  23.70111       1.290906  19.77328       1.660509  4.411919       2.308781  
1 1 1 11 32 16 o 32.42880 1.366264  10.75594       0.8329511 10.54212       1.014002  11.19959       1.460595  -0.6325760     2.732528  
1 1 1 11 32 17 o 14.12171 2.412824  2.577735       0.7294362 3.356521       0.9017433 1.103430       1.240703  7.152336       4.825647  
1 1 1 11 32 18 o 13.19905 3.182031  2.317245       1.007692  2.308563       1.458403  2.325177       1.393963  -0.8867168E-01 6.364061  
1 1 1 11 33 0  o 85.15950 1.415147  72.42883       2.398031  69.38989       3.226999  76.17656       3.583625  0.000000       0.000000  
1 1 1 11 33 1  o 77.62183 0.9684877 60.33255       1.503393  60.28695       2.112303  60.37936       2.140210  -0.5815125E-01 1.936975  
1 1 1 11 33 2  o 41.30965 1.105153  16.99484       0.9093112 16.02849       1.220395  18.20087       1.363371  -2.620678      2.210307  
1 1 1 11 33 3  o 39.64864 1.137786  15.80203       0.8992711 17.07326       1.262020  14.49079       1.281732  3.258068       2.275571  
1 1 1 11 33 4  o 97.41727 1.119712  93.89043       2.131877  89.64282       2.711755  100.7637       3.449522  -5.654022      2.239424  
1 1 1 11 33 5  o 86.11438 1.070907  74.09480       1.808264  73.17606       2.330599  75.48438       2.866250  -1.300209      2.141813  
1 1 1 11 33 6  o 33.74126 1.193988  11.41376       0.8046417 12.27941       1.157376  10.60392       1.119442  2.478745       2.387977  
1 1 1 11 33 7  o 11.58729 2.373190  0.7059461      0.7035145 2.883165       1.174057  -0.5137541     0.8787486 9.834680       4.746380  
1 1 1 11 33 8  o 63.59010 0.8871807 40.53508       1.128300  40.50169       1.590914  40.56887       1.600445  -0.5189514E-01 1.774361  
1 1 1 11 33 9  o 73.25359 0.9072871 53.81251       1.329082  52.86640       1.863099  54.79290       1.896559  -1.310959      1.814574  
1 1 1 11 33 10 o 77.83266 1.018619  60.52124       1.561691  63.07113       2.451148  58.77889       2.026173  2.678101       2.037239  
1 1 1 11 33 11 o 15.38511 2.232909  2.716991       0.6511457 1.671267       1.056379  3.357761       0.8269171 -5.594841      4.465818  
1 1 1 11 33 12 o 44.35647 1.184735  19.83085       1.041078  19.64602       1.377901  20.07673       1.589220  -0.4260826     2.369470  
1 1 1 11 33 13 o 17.56920 3.012222  4.273821       0.8482915 4.682266       0.9018309 1.137063       2.499190  7.759892       6.024445  
1 1 1 11 33 14 o 51.93292 1.063821  27.02306       1.045046  26.49959       1.278805  28.07549       1.813223  -1.315002      2.127643  
1 1 1 11 33 15 o 30.33114 1.396759  9.055518       0.7970501 8.370400       0.9596300 10.57949       1.431231  -3.331877      2.793519  
1 1 1 11 33 16 o 33.85736 1.384624  12.21403       0.8603792 12.81490       1.046079  10.95764       1.512638  3.157806       2.769248  
1 1 1 11 33 17 o 15.16378 2.628576  2.887147       0.7771087 3.148216       0.9621305 2.397213       1.318028  2.948236       5.257152  
1 1 1 11 33 18 o 21.84727 2.144132  5.428974       0.8823012 5.483442       1.090735  5.325871       1.500668  1.247473       4.288263  
1 1 1 11 34 0  o 51.41480 1.396988  26.47079       1.420505  25.63651       1.880705  27.57890       2.167472  0.000000       0.000000  
1 1 1 11 34 1  o 92.09950 1.020322  84.94738       1.878543  83.79562       2.610164  86.18502       2.705734  -1.290825      2.040643  
1 1 1 11 34 2  o 63.37892 1.036019  40.21429       1.284119  40.08570       1.650154  40.41171       2.044646  -0.2306366     2.072038  
1 1 1 11 34 3  o 22.55594 1.801632  5.274401       0.7845958 5.904858       1.026487  4.388489       1.216804  3.384010       3.603264  
1 1 1 11 34 4  f 19.01152 2.275584  3.560136       0.8286824 3.090507       1.039128  4.380599       1.373476  -3.580351      4.551168  
1 1 1 11 34 5  o 39.00061 1.065997  15.25457       0.8314211 15.40237       1.185234  15.11138       1.166601  0.3711891      2.131995  
1 1 1 11 34 6  o 52.83950 1.058989  27.89758       1.071538  28.40600       1.804001  27.62041       1.331962  0.6921883      2.117978  
1 1 1 11 34 7  o 79.94870 0.9343611 64.08752       1.493946  63.97710       2.101623  64.20034       2.124075  -0.1373367     1.868722  
1 1 1 11 34 8  o 39.79019 1.036357  15.88371       0.8188020 15.99000       1.236076  15.80061       1.093001  0.2187271      2.072714  
1 1 1 11 34 9  f 57.45746 0.9619328 33.20341       1.091474  32.95168       1.678792  33.38774       1.436523  -0.4213562     1.923866  
1 1 1 11 34 10 o 45.01243 0.9530789 20.37137       0.8579978 20.42391       1.216906  20.31942       1.209908  0.1146431      1.906158  
1 1 1 11 34 11 f 18.88302 1.913797  3.774750       0.6854814 4.539023       0.9466138 2.932126       0.9939522 4.513687       3.827594  
1 1 1 11 34 12 o 25.58347 2.833933  6.082492       0.8999802 5.804836       0.9507750 8.474736       2.790788  -3.360849      5.667865  
1 1 1 11 34 13 o 42.27098 1.217207  18.17138       1.012833  18.38359       1.325157  17.87325       1.570657  0.7067299      2.434413  
1 1 1 11 34 14 o 11.18890 2.740872  1.198682       0.7153539 0.9961118      0.8745149 1.608339       1.243624  -2.276758      5.481745  
1 1 1 11 34 15 o 19.35005 2.170927  4.233813       0.7570820 4.545021       0.9385659 3.654168       1.280917  3.037598       4.341854  
1 1 1 11 34 16 o 12.60633 2.770633  1.746281       0.7762238 1.158025       0.9863446 2.703310       1.258080  -4.486596      5.541267  
1 1 1 11 34 17 o 21.07034 2.563726  5.442626       0.9246771 5.721067       1.099313  4.769076       1.709779  3.973289       5.127452  
1 1 1 11 34 18 o 10.77240 3.012249  1.466353       0.9548591 1.440643       1.246091  1.502923       1.486156  -0.2234507     6.024498  
1 1 1 11 35 0  o 57.85350 1.717470  33.07147       1.774370  32.24597       2.077845  35.29463       3.409892  0.000000       0.000000  
1 1 1 11 35 1  o 84.93761 1.075188  72.43289       1.812535  71.48443       2.727991  73.18253       2.425255  -1.025383      2.150376  
1 1 1 11 35 2  o 78.20216 1.048844  61.31313       1.627294  61.36281       2.462384  61.27460       2.168257  0.3004456E-01  2.097689  
1 1 1 11 35 3  o 37.95098 1.500424  14.44843       1.128995  14.78226       1.721843  14.19667       1.495298  0.7400017      3.000848  
1 1 1 11 35 4  o 51.52174 1.128046  26.86173       1.114458  25.83951       1.843342  27.45064       1.399124  -1.612442      2.256093  
1 1 1 11 35 5  o 65.36929 1.080232  43.38273       1.356006  41.01773       2.224782  44.78061       1.710433  -2.935646      2.160465  
1 1 1 11 35 6  o 37.74767 1.143450  14.41922       0.8499928 13.60746       1.301216  15.02342       1.122607  -1.897915      2.286899  
1 1 1 11 35 7  o 69.59012 0.9057021 48.55402       1.260261  47.67548       1.759065  49.48051       1.806436  -1.291328      1.811404  
1 1 1 11 35 8  o 49.72889 0.9105684 24.83197       0.9049729 23.61028       1.273188  26.07947       1.286567  -2.480549      1.821137  
1 1 1 11 35 9  o 63.28364 0.9030954 40.23836       1.142460  40.48840       1.593692  39.97404       1.638608  0.4144096      1.806191  
1 1 1 11 35 10 o 41.33038 1.051966  17.09242       0.8631507 16.39827       1.143481  18.01180       1.315972  -1.913525      2.103932  
1 1 1 11 35 11 o 31.57729 1.162579  10.07085       0.7310793 10.05289       1.084504  10.08581       0.9897807 -0.8044243E-01 2.325158  
1 1 1 11 35 12 o 42.35931 1.219374  18.22970       1.005382  18.48346       1.287492  17.83316       1.609445  0.8781433      2.438748  
1 1 1 11 35 13 o 10.72937 2.725174  1.111784       0.7449176 1.313804       0.9458674 0.7818449      1.208789  0.9354458      5.450349  
1 1 1 11 35 14 o 15.47762 2.497130  2.756012       0.7366111 3.005436       0.8989145 2.246176       1.285181  2.938311       4.994259  
1 1 1 11 35 15 o 23.86407 1.888301  6.225623       0.8169395 6.467314       0.9837315 5.688554       1.466431  2.220785       3.776601  
1 1 1 11 35 16 o 18.39727 2.475753  3.947323       0.8774104 4.089293       1.155578  3.754054       1.348283  1.638290       4.951507  
1 1 1 11 35 17 o 7.234981 2.443455  -1.308569      0.9995639 -0.7329747     1.382516  -1.939000      1.446873  0.9289002      4.886909  
1 1 1 11 36 0  o 67.95794 1.347029  46.40889       1.827184  46.47324       2.556469  46.34170       2.612500  0.000000       0.000000  
1 1 1 11 36 1  o 130.0948 1.355599  170.1828       3.489547  170.5733       4.614166  169.6612       5.333564  0.4468079      2.711197  
1 1 1 11 36 2  o 125.7500 1.485520  156.8674       3.483229  165.3904       6.239688  153.0089       4.198276  4.618782       2.971040  
1 1 1 11 36 3  o 63.64871 1.091279  40.97546       1.341963  39.37848       2.180215  41.94954       1.702735  -2.073654      2.182558  
1 1 1 11 36 4  o 41.13647 1.091517  17.02405       0.8936947 16.51852       1.319297  17.45275       1.214898  -1.147568      2.183034  
1 1 1 11 36 5  o 85.69616 0.9648322 73.63522       1.653251  75.08305       2.370035  72.26301       2.307327  1.638229       1.929664  
1 1 1 11 36 6  o 82.34296 0.9495867 68.02750       1.563763  68.25891       2.223770  67.80113       2.199420  0.2749405      1.899173  
1 1 1 11 36 7  o 49.67307 0.9167533 24.76445       0.9104211 25.15564       1.309065  24.39799       1.267024  0.7559929      1.833507  
1 1 1 11 36 8  o 16.58821 2.166915  2.910668       0.6955622 3.494199       0.9733735 2.301767       0.9943075 3.865029       4.333831  
1 1 1 11 36 9  o 34.65038 1.210367  12.09886       0.8248975 12.04283       1.072456  12.18004       1.290823  -0.1425133     2.420734  
1 1 1 11 36 10 o 31.07296 1.452482  10.17213       0.8447193 11.04533       1.054386  8.607325       1.411473  4.041903       2.904964  
1 1 1 11 36 11 o 20.19641 1.721938  4.177995       0.6945496 4.161880       1.008147  4.192553       0.9582356 -0.1006165     3.443876  
1 1 1 11 36 12 o 37.02991 1.297652  14.26780       0.9326857 15.57332       1.218994  12.42431       1.448542  4.362282       2.595304  
1 1 1 11 36 13 o 61.43049 1.051892  38.48825       1.247654  39.37486       1.582080  37.02987       2.029083  2.089012       2.103783  
1 1 1 11 36 14 o 14.09657 2.697796  2.093638       0.7743257 1.411923       0.9613746 3.352623       1.306476  -5.669052      5.395591  
1 1 1 11 36 15 o 16.16861 2.580131  3.228608       0.8505738 4.211454       1.127769  1.931959       1.295354  7.004227       5.160263  
1 1 1 11 36 16 o 18.40850 3.127093  4.376442       1.135304  4.409314       1.545332  4.337895       1.673433  0.5290451      6.254185  
1 1 1 11 36 17 o 12.23169 3.273373  1.713865       1.028480  0.9853001      1.216787  3.536613       1.924613  -5.057048      6.546745  
1 1 1 11 37 0  o 15.07571 5.177261  2.990781       1.401002  2.990781       1.401002  2.990781       1.401002  0.000000       0.000000  
1 1 1 11 37 1  o 56.23207 1.096259  31.42509       1.217898  33.65378       1.900604  29.87237       1.586400  3.325779       2.192518  
1 1 1 11 37 2  o 38.26378 1.447108  14.49757       1.071020  13.84638       1.339322  15.65262       1.783739  -2.290829      2.894216  
1 1 1 11 37 3  o 47.80303 1.079239  22.94245       1.031285  22.01080       1.453622  23.88660       1.463340  -1.960793      2.158478  
1 1 1 11 37 4  o 14.90641 2.423430  2.345805       0.7024298 2.271792       0.9290308 2.444585       1.073282  -0.5114584     4.846860  
1 1 1 11 37 5  f 84.46622 1.030915  71.56013       1.726046  71.05650       2.289453  72.22332       2.627260  -0.6431808     2.061829  
1 1 1 11 37 6  o 37.54455 1.107954  14.22183       0.8255690 14.50921       1.107732  13.86277       1.238194  0.8869133      2.215908  
1 1 1 11 37 7  o 27.82052 1.313591  7.783309       0.7291028 8.585958       1.065041  7.075386       1.000223  2.698477       2.627182  
1 1 1 11 37 8  o 56.21460 0.9303445 31.76089       1.045854  32.45939       1.487084  31.07726       1.471167  1.226204       1.860689  
1 1 1 11 37 9  o 80.95850 1.084068  66.08121       1.707886  66.20937       2.178892  65.87701       2.750342  0.3466034      2.168136  
1 1 1 11 37 10 o 28.31577 1.282813  8.158042       0.7233955 7.562553       1.044685  8.706605       1.002679  -2.035576      2.565626  
1 1 1 11 37 11 o 39.61208 1.049315  15.84664       0.8310591 15.32734       1.169750  16.37591       1.180920  -1.319809      2.098630  
1 1 1 11 37 12 o 34.20140 1.109707  11.85505       0.7590011 12.00837       1.071664  11.70075       1.075124  0.4511909      2.219415  
1 1 1 11 37 13 o 12.34326 2.917716  1.613157       0.8444811 1.194374       1.097265  2.221609       1.322606  -2.960208      5.835433  
1 1 1 11 37 14 o 16.83831 2.473015  3.370153       0.7818226 3.749775       0.9741650 2.683131       1.310517  3.877236       4.946029  
1 1 1 11 37 15 o 9.357906 2.645972  0.3614601      0.8456324 -0.8332242     1.187248  1.591634       1.204754  -4.565996      5.291945  
1 1 1 11 37 16 o 19.96598 3.032768  4.560234       1.043410  3.964622       1.196013  6.457708       2.134725  -3.300755      6.065537  
1 1 1 11 38 0  o 114.3014 1.612220  131.3329       3.679530  129.3155       5.090048  133.5411       5.325195  0.000000       0.000000  
1 1 1 11 38 1  o 50.86864 1.048686  26.05244       1.059931  25.29980       1.579448  26.66908       1.429656  -1.366127      2.097372  
1 1 1 11 38 2  o 26.03374 1.712359  6.827682       0.8893458 6.541160       1.207064  7.167918       1.315351  -1.179544      3.424718  
1 1 1 11 38 3  o 30.70765 1.420464  9.442309       0.8503768 9.772113       1.374982  9.238021       1.082162  0.8131466      2.840927  
1 1 1 11 38 4  f 33.41875 1.281435  11.17542       0.8440441 11.70286       1.323254  10.81363       1.095939  1.282505       2.562870  
1 1 1 11 38 5  o 27.68110 1.284682  7.655853       0.7078708 6.843371       0.9507780 8.666331       1.060317  -3.266996      2.569364  
1 1 1 11 38 6  o 49.59677 0.9619295 24.70651       0.9536391 23.61040       1.328167  25.87294       1.370109  -2.272766      1.923859  
1 1 1 11 38 7  o 42.08157 0.9977283 17.81308       0.8394897 17.78325       1.173133  17.84439       1.201822  -0.6660080E-01 1.995457  
1 1 1 11 38 8  o 25.02463 1.687166  6.275640       0.7973671 6.076148       0.9717011 6.686899       1.395172  -1.059023      3.374331  
1 1 1 11 38 9  o 26.24649 1.595422  6.946196       0.8302132 7.641452       1.280151  6.441517       1.090677  2.200819       3.190843  
1 1 1 11 38 10 o 23.39935 2.148173  6.329689       0.8410466 4.417666       1.494814  7.215342       1.017354  -6.529419      4.296345  
1 1 1 11 38 11 o 8.588780 2.531975  0.1898724      0.7568166 -0.8916880     1.316718  0.7234645      0.9248515 -1.623051      5.063949  
1 1 1 11 38 12 o 34.13618 1.205674  11.83440       0.8229181 11.59946       1.147510  12.08314       1.180767  -0.6927757     2.411349  
1 1 1 11 38 13 o 30.70876 1.531258  9.794893       0.8852993 9.713958       1.082877  9.958017       1.537334  0.4751587E-01  3.062516  
1 1 1 11 38 14 o 8.366783 2.670025  -0.4676659     0.9529355 -1.150143      1.253654  0.4663054      1.466562  -2.767801      5.340051  
1 1 1 11 38 15 f 9.620094 2.823026  0.7257070      0.8947602 0.9791995      1.146969  0.3315949      1.430142  0.6720972      5.646052  
1 1 1 11 38 16 o 12.39660 3.568193  1.948563       1.193696  1.628814       1.338990  3.186698       2.634854  -2.351013      7.136387  
1 1 1 11 39 0  o 25.25538 2.631525  6.743083       1.173573  6.564731       1.430443  7.110316       2.052589  0.000000       0.000000  
1 1 1 11 39 1  o 69.44743 0.9950482 48.42308       1.373413  48.13139       1.839603  48.79042       2.064371  -0.4363174     1.990096  
1 1 1 11 39 2  o 53.11661 1.033174  28.24529       1.091241  29.46470       1.647553  27.29224       1.456536  2.009296       2.066349  
1 1 1 11 39 3  o 53.00082 0.9617863 28.23124       1.019301  28.70546       1.435983  27.74964       1.447099  0.9036598      1.923573  
1 1 1 11 39 4  o 21.60432 1.559735  4.725833       0.6728562 5.101829       0.9643215 4.369100       0.9392968 1.688387       3.119470  
1 1 1 11 39 5  o 47.80521 0.9704247 22.98736       0.9276709 22.80937       1.320956  23.16056       1.303076  -0.3710518     1.940849  
1 1 1 11 39 6  o 39.66312 1.049415  15.80973       0.8317912 15.14960       1.149400  16.53558       1.205247  -1.734821      2.098829  
1 1 1 11 39 7  o 22.42650 1.605138  5.155356       0.7114509 4.277872       1.009447  6.021447       1.002873  -3.889708      3.210275  
1 1 1 11 39 8  f 59.74506 0.9529797 35.96027       1.137251  36.14795       1.571335  35.75382       1.648037  0.3502312      1.905959  
1 1 1 11 39 9  o 34.41077 1.201998  11.88635       0.8224476 12.81112       1.246806  11.17399       1.094294  2.326778       2.403996  
1 1 1 11 39 10 o 21.86147 1.695663  4.965312       0.7337309 4.243566       1.050932  5.651695       1.024863  -3.236908      3.391326  
1 1 1 11 39 11 o 17.03519 2.194611  3.182905       0.7069861 2.741447       1.111943  3.482466       0.9159694 -2.627507      4.389222  
1 1 1 11 39 12 o 32.53132 1.412587  10.77091       0.9057896 10.01154       1.169645  11.90861       1.431674  -2.695641      2.825174  
1 1 1 11 39 13 o 16.37590 3.065449  3.373406       1.028101  3.805779       1.313446  2.689404       1.652007  3.424000       6.130898  
1 1 1 11 39 14 o 12.13904 3.120630  1.282763       0.8492618 0.7704481      0.9585159 3.153604       1.831679  -5.936704      6.241260  
1 1 1 11 39 15 o 12.75685 3.337558  2.109153       1.047695  2.199371       1.170313  1.745034       2.351134  0.7740116      6.675115  
1 1 1 11 40 0  o 90.21847 1.442243  81.98299       2.598026  82.15155       3.618478  81.80363       3.732502  0.000000       0.000000  
1 1 1 11 40 1  o 32.59029 1.241029  10.71850       0.8082521 10.25232       1.145333  11.18095       1.140763  -1.425814      2.482058  
1 1 1 11 40 2  o 45.83601 1.080219  21.10776       0.9844578 21.55450       1.481043  20.75414       1.317696  0.8367386      2.160438  
1 1 1 11 40 3  o 80.19711 1.028719  64.85629       1.641699  66.07510       2.225328  63.40081       2.431815  1.713104       2.057438  
1 1 1 11 40 4  o 28.73712 1.399470  8.309470       0.8019406 7.527873       1.091991  9.224489       1.181524  -2.925533      2.798940  
1 1 1 11 40 5  f 60.70943 1.012920  36.87880       1.209250  35.97439       1.564159  38.22239       1.906477  -1.776085      2.025841  
1 1 1 11 40 6  o 82.98232 1.607299  68.26920       2.041592  67.29392       2.246409  72.89780       4.893813  -2.417618      3.214599  
1 1 1 11 40 7  o 31.53601 1.287990  10.06468       0.8067819 9.968837       1.077422  10.18702       1.217257  -0.2948971     2.575980  
1 1 1 11 40 8  o 66.72144 1.063370  44.92357       1.417604  44.86420       2.049723  44.97802       1.962696  -0.1115189     2.126740  
1 1 1 11 40 9  o 33.96894 1.187447  11.72698       0.8032556 11.87475       1.090837  11.55194       1.187224  0.5183754      2.374895  
1 1 1 11 40 10 o 34.30063 1.231994  11.97611       0.8445446 12.22400       1.180309  11.71604       1.208939  0.7546539      2.463987  
1 1 1 11 40 11 o 28.51537 1.465208  8.210936       0.8228786 9.499594       1.310251  7.371610       1.057429  3.528984       2.930416  
1 1 1 11 40 12 o 18.55524 2.041398  3.722277       0.7551869 3.651096       1.104581  3.784752       1.034820  -0.4565086     4.082797  
1 1 1 11 40 13 o 11.22030 2.892716  1.410255       0.8581154 1.706913       1.106558  0.9627157      1.359133  1.574213       5.785431  
1 1 1 11 40 14 o 7.787752 2.535316  -0.5473783     0.9389190 0.1824346      1.133982  -2.138539      1.674394  1.014056       5.070633  
1 1 1 11 40 15 o 11.16203 3.391858  1.281794       1.263787  0.7465832      1.514593  2.508511       2.293007  -2.987664      6.783717  
1 1 1 11 41 0  o 38.46590 1.624793  15.01463       1.237426  14.36970       1.677542  15.78437       1.832701  0.000000       0.000000  
1 1 1 11 41 1  o 61.83321 0.9353927 38.43143       1.156699  38.32317       1.626071  38.54231       1.645746  -0.1733284     1.870785  
1 1 1 11 41 2  o 79.59697 1.055836  64.04947       1.672007  60.55429       2.451583  67.08903       2.286218  -4.141853      2.111672  
1 1 1 11 41 3  o 77.18291 0.9752824 59.86111       1.504318  58.41990       2.078114  61.44772       2.180424  -1.939537      1.950565  
1 1 1 11 41 4  o 39.92631 1.216455  15.93127       0.9608220 15.04972       1.255377  17.17796       1.492896  -2.598236      2.432909  
1 1 1 11 41 5  f 89.50082 1.125823  80.40763       1.967362  78.85714       2.511732  82.86888       3.164575  -2.051308      2.251647  
1 1 1 11 41 6  o 79.05635 0.9742439 62.97958       1.540323  63.89297       2.186162  62.07914       2.170613  1.142807       1.948488  
1 1 1 11 41 7  o 19.67239 2.063344  3.957886       0.7954463 4.230381       1.274355  3.783947       1.018147  0.9834976      4.126688  
1 1 1 11 41 8  o 20.23985 1.814968  4.299507       0.7173486 3.267799       1.014737  5.330188       1.014232  -5.095209      3.629935  
1 1 1 11 41 9  o 48.36933 1.083820  23.73954       1.029769  23.52791       1.611230  23.88567       1.338915  -0.4872437     2.167640  
1 1 1 11 41 10 o 35.12696 1.198728  12.56318       0.8399797 12.78058       1.237413  12.37739       1.143911  0.5205002      2.397456  
1 1 1 11 41 11 o 22.51110 1.686990  5.352465       0.7570045 4.927439       1.078384  5.765385       1.062916  -1.878519      3.373981  
1 1 1 11 41 12 o 11.19938 2.955959  1.352253       0.9560923 1.952865       1.148005  -0.7392875E-02 1.727266  3.082610       5.911918  
1 1 1 11 41 13 o 17.84332 3.051486  3.739702       1.023783  3.046005       1.234199  5.270044       1.833134  -4.369298      6.102972  
1 1 1 11 41 14 o 9.008732 2.902322  -0.3039885     1.199006  -1.581787      1.873716  0.5820755      1.560290  -1.672701      5.804644  
1 1 1 11 42 0  o 98.74655 1.527688  98.46320       3.011619  100.3832       4.205933  96.44299       4.314280  0.000000       0.000000  
1 1 1 11 42 1  o 16.81318 2.495966  3.134473       0.8222524 3.955457       1.104624  2.114309       1.231352  5.632004       4.991931  
1 1 1 11 42 2  o 45.76506 1.193778  21.06696       1.088998  20.17335       1.469687  22.15493       1.621656  -2.120270      2.387556  
1 1 1 11 42 3  f 72.83859 0.9831814 53.44289       1.432186  54.04626       2.023765  52.83754       2.027073  0.8305893      1.966363  
1 1 1 11 42 4  o 52.16329 1.143622  27.55767       1.147364  27.71853       1.440370  27.27840       1.897920  0.5702019      2.287245  
1 1 1 11 42 5  o 11.47726 2.519913  1.280324       0.7034373 0.4025385      0.9917346 2.169085       0.9979156 -5.258970      5.039826  
1 1 1 11 42 6  o 40.89111 1.482493  15.76933       1.036627  19.57850       2.212371  14.69778       1.173408  5.499222       2.964986  
1 1 1 11 42 7  o 22.02530 1.738091  4.959957       0.7568016 5.298668       1.176972  4.721195       0.9881724 1.188923       3.476183  
1 1 1 11 42 8  o 22.44836 1.659523  5.214178       0.7421584 4.922348       1.077164  5.477909       1.023994  -1.272745      3.319045  
1 1 1 11 42 9  o 27.88743 1.444036  7.953281       0.8038028 8.500747       1.182648  7.483261       1.095810  1.767746       2.888072  
1 1 1 11 42 10 o 7.673002 2.230398  -0.2561934     0.6731042 -1.852096      1.018242  0.9824471      0.8970582 -4.354475      4.460796  
1 1 1 11 42 11 o 37.02078 1.630599  14.72035       1.083232  15.14605       1.290477  13.70495       1.993037  2.721832       3.261199  
1 1 1 11 42 12 o 31.48473 1.846046  10.55989       1.042268  10.32929       1.226350  11.15974       1.977913  -0.1444283     3.692092  
1 1 1 11 42 13 o 12.62710 3.134654  2.080056       0.9819950 2.064060       1.357455  2.097618       1.422315  -0.5867958E-01 6.269308  
1 1 1 11 42 14 o 9.724957 2.974338  0.7664237      1.090657  0.1083841      1.627362  1.303012       1.469530  -1.561121      5.948677  
1 1 1 11 43 0  o 41.88527 1.589697  17.98625       1.314461  19.61204       1.820506  16.21557       1.899891  0.000000       0.000000  
1 1 1 11 43 1  o 54.90981 0.9884541 30.34408       1.084448  31.43017       1.577019  29.36979       1.493656  1.852383       1.976908  
1 1 1 11 43 2  o 14.96591 2.837394  2.481697       0.8692756 2.698202       1.182563  2.227191       1.282149  1.415527       5.674788  
1 1 1 11 43 3  o 28.13343 1.361390  8.035148       0.7656966 7.796720       1.085134  8.271585       1.080597  -0.8457050     2.722779  
1 1 1 11 43 4  o 34.61813 1.404446  12.42322       0.9369509 11.18291       1.499518  13.21760       1.200054  -3.060738      2.808893  
1 1 1 11 43 5  o 38.35917 1.249468  14.95853       0.9390973 14.92935       1.483152  14.97806       1.213292  -0.1871529     2.498936  
1 1 1 11 43 6  o 26.46185 1.427695  7.155087       0.7545707 7.349369       1.049987  6.947584       1.085129  0.7771702      2.855390  
1 1 1 11 43 7  o 15.32216 2.429360  2.595107       0.7279899 2.941510       1.031558  2.251411       1.027520  2.197687       4.858721  
1 1 1 11 43 8  o 26.05149 1.650841  6.998283       0.8577170 6.340701       1.171565  7.757870       1.259156  -2.652275      3.301682  
1 1 1 11 43 9  o 24.08273 1.725711  6.168170       0.8214209 6.773956       1.121970  5.468370       1.205894  2.800863       3.451422  
1 1 1 11 43 10 o 21.80881 2.438552  5.409484       1.012093  6.594020       1.424437  4.201785       1.438296  5.817404       4.877103  
1 1 1 11 43 11 f 21.98569 2.705013  5.504183       1.021639  5.293580       1.189932  6.094785       1.992673  0.2585163      5.410026  
1 1 1 11 43 12 o 8.848711 2.882873  -0.6958331     1.115921  -1.479037      1.376006  0.8090100      1.907343  -3.803670      5.765745  
1 1 1 11 43 13 o 11.61744 3.064247  1.651597       1.017112  0.6843571      1.419516  2.672114       1.458086  -4.194824      6.128495  
1 1 1 11 44 0  o 17.56426 5.110818  3.906493       1.556725  3.906493       1.556725  3.906493       1.556725  0.000000       0.000000  
1 1 1 11 44 1  o 47.26175 1.155185  22.58986       1.089806  22.86148       1.595638  22.35237       1.492011  0.5003700      2.310371  
1 1 1 11 44 2  o 50.17896 1.165019  25.50152       1.168310  25.84877       1.689873  25.18356       1.617012  0.6333542      2.330039  
1 1 1 11 44 3  o 15.03605 3.039908  2.364785       0.8720453 2.130790       1.012574  3.036671       1.715820  -2.344033      6.079817  
1 1 1 11 44 4  o 30.34826 1.429921  9.357210       0.8631364 8.994887       1.152725  9.819606       1.302218  -1.281603      2.859842  
1 1 1 11 44 5  o 51.30471 1.063708  26.73018       1.084492  27.43545       1.465311  25.87592       1.612662  1.580879       2.127416  
1 1 1 11 44 6  o 12.89828 2.666318  1.839702       0.7315983 1.938323       1.006671  1.729307       1.065069  0.6640043      5.332635  
1 1 1 11 44 7  o 21.00664 1.840031  4.638826       0.7697036 4.655344       1.043299  4.619098       1.140194  0.1808777      3.680062  
1 1 1 11 44 8  o 20.71027 1.854283  4.573009       0.7613497 3.897394       1.072054  5.260492       1.081429  -3.279821      3.708566  
1 1 1 11 44 9  o 10.09855 2.950200  0.5975248      0.9101893 0.2917998      1.101278  1.256466       1.616794  -2.929218      5.900400  
1 1 1 11 44 10 o 16.31750 3.067008  3.249596       0.9202155 3.188816       1.052755  3.446419       1.894454  0.7377386      6.134017  
1 1 1 11 44 11 o 31.70829 2.239107  11.39865       1.336219  11.48393       1.649143  11.23565       2.279911  1.673458       4.478214  
1 1 1 11 44 12 o 10.05420 3.035734  0.7713090      1.077835  0.7171721      1.465764  0.8350469      1.590437  -0.3878994     6.071469  
1 1 1 11 45 0  o 47.90963 1.467912  23.36394       1.397424  23.85636       1.923654  22.81372       2.033422  0.000000       0.000000  
1 1 1 11 45 1  o 38.51010 1.183684  15.00149       0.9102567 14.29217       1.245597  15.81444       1.333488  -1.938698      2.367368  
1 1 1 11 45 2  o 39.83367 2.190640  18.97411       1.239686  13.28209       2.864734  20.28562       1.375108  -9.849468      4.381280  
1 1 1 11 45 3  o 42.63178 1.218437  18.43541       1.003324  18.66022       1.651545  18.30391       1.263132  0.2291718      2.436875  
1 1 1 11 45 4  o 30.43707 1.455133  9.551052       0.8608866 9.142280       1.373477  9.815565       1.104855  -1.254444      2.910266  
1 1 1 11 45 5  o 9.469004 2.551987  0.6246594      0.7102169 1.262633       1.005437  -0.1068575E-01 1.003363  3.122391       5.103974  
1 1 1 11 45 6  o 16.45849 2.509030  3.090550       0.8015111 2.899530       1.160296  3.264895       1.108494  -1.185009      5.018061  
1 1 1 11 45 7  o 22.69054 1.854743  5.536871       0.8307311 4.671938       1.192828  6.351506       1.157625  -3.744331      3.709485  
1 1 1 11 45 8  o 17.85966 3.111437  3.308220       0.9620740 2.743146       1.087736  5.338727       2.061927  -4.989636      6.222874  
1 1 1 11 45 9  o 26.89591 2.170928  7.591325       1.115479  6.707399       1.359621  9.411462       1.951020  -4.016127      4.341856  
1 1 1 11 45 10 o 28.33380 2.604199  9.410190       1.466889  9.824784       2.211642  9.084553       1.960056  0.7016869      5.208398  
1 1 1 11 45 11 o 15.18224 3.251232  3.124140       1.080064  3.432446       1.489997  2.782771       1.567857  1.814210       6.502464  
1 1 1 11 45 12 o 19.92941 2.869573  5.217057       1.088816  5.103810       1.414806  5.381557       1.705159  0.4195480      5.739146  
1 1 1 11 46 0  o 13.29348 3.852318  2.111444       1.104573  0.9335203      1.348453  4.513747       1.925710  0.000000       0.000000  
1 1 1 11 46 1  f 21.54518 1.901663  4.754517       0.8101128 3.868467       1.082290  5.883489       1.221677  -4.574596      3.803326  
1 1 1 11 46 2  o 28.01470 1.552006  8.129348       0.8615621 7.483847       1.273996  8.673356       1.169558  -2.189522      3.104012  
1 1 1 11 46 3  o 10.89345 2.663008  1.177220       0.7398952 0.5767910      1.051579  1.765898       1.041237  -3.280998      5.326017  
1 1 1 11 46 4  o 14.32536 2.363142  2.333419       0.7209371 1.164451       1.028799  3.461313       1.010563  -7.404886      4.726285  
1 1 1 11 46 5  o 10.45499 2.636689  0.9671010      0.7642654 1.890652       1.089841  0.7346085E-01  1.072047  4.583890       5.273378  
1 1 1 11 46 6  o 9.101458 2.503442  0.1357389      0.7740675 1.621481       1.124645  -1.201650      1.067020  5.597529       5.006883  
1 1 1 11 46 7  o 14.71567 3.190268  2.312645       0.9514877 1.698938       1.115191  3.954886       1.824262  -5.341896      6.380536  
1 1 1 11 46 8  f 30.87036 1.966605  10.64459       1.031055  10.96377       1.196299  9.722692       2.033123  3.248333       3.933211  
1 1 1 11 46 9  f 12.74470 3.037708  2.060489       1.074758  3.152283       1.350668  0.1759426      1.774524  5.951074       6.075416  
1 1 1 11 46 10 o 20.83746 2.534047  5.160983       1.029416  5.318597       1.417027  4.984849       1.497972  1.323503       5.068094  
1 1 1 11 46 11 f 8.876523 2.877698  0.8394547E-01  1.130666  -0.8342257     2.061828  0.4787997      1.352101  -0.1592197     5.755396  
1 1 1 11 47 0  f 21.31823 3.014345  5.327634       1.134169  5.778807       1.569931  4.835112       1.640296  0.000000       0.000000  
1 1 1 11 47 1  o 12.16740 2.843226  1.662396       0.8127899 2.013812       1.169387  1.333954       1.130515  1.946745       5.686452  
1 1 1 11 47 2  o 10.67688 2.829825  0.9754677      0.8046607 1.749487       1.339490  0.5384426      1.006507  3.491661       5.659649  
1 1 1 11 47 3  o 23.74687 1.760070  5.969125       0.8335143 5.420200       1.168226  6.538318       1.189599  -2.329315      3.520141  
1 1 1 11 47 4  o 10.90709 2.779189  1.202832       0.7861496 0.7642063      1.055648  1.748975       1.177946  -2.738984      5.558379  
1 1 1 11 47 5  o 11.44282 2.700740  1.416883       0.8466980 2.351074       1.078492  -0.8389585E-01 1.366965  5.386411       5.401481  
1 1 1 11 47 6  o 20.26541 3.142652  4.554204       0.9475749 4.304444       1.027955  5.966481       2.444401  -0.4654217     6.285304  
1 1 1 11 47 7  o 14.67859 2.865247  3.147392       0.9341381 3.657760       1.015287  0.3321514      2.384542  7.223613       5.730495  
1 1 1 11 47 8  o 11.12480 3.216520  1.290783       1.119654  1.713897       1.248832  -0.4428889     2.527890  1.421705       6.433040  
1 1 1 11 47 9  o 16.80020 5.998411  0.000000       0.000000  ?              ?         4.641263       2.554164  ?              ?         
1 1 1 11 47 10 o 10.87398 3.138691  0.9990464      1.093890  2.928361       1.827888  -0.7744068E-01 1.365376  5.366560       6.277383  
1 1 1 11 48 0  o 9.341225 3.765690  1.350143       1.104292  0.8489834      1.508135  1.929420       1.621420  0.000000       0.000000  
1 1 1 11 48 1  o 18.46260 2.474745  4.054136       0.8564450 4.772398       1.109352  2.994437       1.347470  5.422793       4.949489  
1 1 1 11 48 2  f 34.87290 1.529773  12.71890       1.065668  13.07291       1.486252  12.34433       1.528815  1.088703       3.059547  
1 1 1 11 48 3  o 17.46093 2.717760  3.756685       0.9083813 4.206241       1.129721  2.934378       1.527906  4.454591       5.435520  
1 1 1 11 48 4  o 12.00657 2.870553  1.787028       0.8891902 2.324964       1.033755  0.2570303      1.743403  3.969768       5.741105  
1 1 1 11 48 5  o 27.22654 2.532896  9.027857       1.197936  10.16609       1.485681  6.912572       2.025326  7.306999       5.065792  
1 1 1 11 48 6  o 14.29070 3.198688  2.750795       1.194197  4.094838       1.549145  0.7823572      1.874762  7.106764       6.397376  
1 1 1 11 48 7  o 9.217438 3.029670  -0.8493575     1.337375  0.6967620      2.100521  -1.903380      1.734324  3.253293       6.059339  
1 1 1 11 48 8  o 11.24268 3.370177  0.7369404      1.318214  -0.4300742     1.663667  2.705592       2.160790  -4.983812      6.740354  
1 1 1 11 48 9  o 11.15061 3.295583  1.100639       1.305008  3.142204       1.996794  -0.4215456     1.724190  5.215477       6.591166  
1 1 1 11 49 0  o 8.140212 3.636826  0.6763162      1.290328  1.340449       1.529805  -0.9609567     2.401978  0.000000       0.000000  
1 1 1 11 49 1  o 20.34095 2.285495  4.577353       0.9246168 4.998816       1.400473  4.251692       1.231059  1.532759       4.570989  
1 1 1 11 49 2  o 37.58691 1.741884  15.09002       1.258588  15.06868       1.580537  15.12700       2.080665  0.6139412      3.483768  
1 1 1 11 49 3  o 18.92168 3.928847  4.238240       1.354389  3.396694       1.520422  7.472403       2.980615  -5.497065      7.857694  
1 1 1 11 49 4  o 10.95648 3.145040  0.7258454      1.116010  -0.3856160     1.420774  2.516378       1.803304  -5.374159      6.290080  
1 1 1 11 49 5  o 23.07268 3.158071  6.727355       1.392082  7.546932       2.154912  6.140364       1.823687  2.032167       6.316143  
1 1 1 11 49 6  o 22.71649 3.141464  6.165126       1.370852  9.575027       2.286762  4.252311       1.712721  10.16157       6.282929  
1 1 1 11 49 7  o 33.21884 2.911280  14.24893       1.761086  17.50668       2.385592  10.34733       2.610708  11.78863       5.822561  
1 1 1 11 49 8  o 15.66363 3.249399  3.994608       1.511481  6.454538       1.885288  -0.4314249     2.528853  11.75935       6.498798  
1 1 1 11 50 0  o 22.88486 7.128658  7.881015       2.851435  7.881015       2.851435  7.881015       2.851435  0.000000       0.000000  
1 1 1 11 50 1  o 15.86567 4.022921  3.027021       1.369454  2.276487       1.532228  6.007102       3.053180  -5.350827      8.045841  
1 1 1 11 50 2  f 19.37030 3.517052  5.883328       1.438443  6.622637       1.643703  3.465344       2.972604  9.101921       7.034104  
1 1 1 11 50 3  o 24.43066 3.149861  8.228686       1.813900  16.30029       2.641668  1.027971       2.495089  25.59127       6.299722  
1 1 1 11 50 4  o 14.34256 3.684285  2.804093       1.538066  4.700007       2.137612  0.7688835      2.214747  6.611111       7.368570  
1 1 1 11 50 5  o 22.68049 3.561077  7.760761       1.701633  10.47400       2.274307  4.310332       2.564728  13.29616       7.122154  
1 1 1 11 50 6  f 18.64449 3.148984  6.033479       1.570534  8.573129       1.919769  0.8943648      2.730902  15.22299       6.297969  
1 1 1 11 51 0  o 13.10239 6.878603  3.467769       2.355408  3.467769       2.355408  3.467769       2.355408  0.000000       0.000000  
1 1 1 11 51 1  o 21.19577 5.574844  0.000000       0.000000  ?              ?         6.657763       2.395002  ?              ?         
1 1 1 11 51 2  o 10.78004 4.976139  0.000000       0.000000  ?              ?         0.2186559      2.514652  ?              ?         
1 1 1 11 51 3  o 19.55022 5.923342  0.000000       0.000000  ?              ?         6.447083       2.515421  ?              ?         
1 1 1 11 51 4  o 24.97303 5.878457  0.000000       0.000000  ?              ?         10.33166       2.890658  ?              ?         
1 1 1 11 51 5  o 18.07484 6.362133  0.000000       0.000000  ?              ?         6.598821       2.864136  ?              ?         
1 1 1 11 52 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11 52 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11 52 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12 0  0  o 381.9231 6.491162  1462.621       49.51038  1446.467       69.24745  1479.515       70.81538  0.000000       0.000000  
1 1 1 12 0  1  o 135.5059 2.015780  185.7350       5.234444  177.2800       8.632012  190.6523       6.582876  0.000000       0.000000  
1 1 1 12 0  2  f 197.4637 2.386340  390.3485       9.417632  387.6067       13.23387  393.1615       13.40486  0.000000       0.000000  
1 1 1 12 0  3  o 316.0569 3.798649  998.3392       23.95640  965.6419       32.75989  1035.922       35.12228  0.000000       0.000000  
1 1 1 12 0  4  o 148.2758 1.805749  219.8465       5.346935  225.5826       7.755709  214.6504       7.381575  0.000000       0.000000  
1 1 1 12 0  5  o 210.5005 3.613398  443.6818       15.18004  455.1770       22.01321  433.2592       20.96106  0.000000       0.000000  
1 1 1 12 0  6  o 333.2758 5.684649  1114.611       37.83891  1123.989       53.94257  1105.527       53.09216  0.000000       0.000000  
1 1 1 12 0  7  o 350.2489 8.450956  1231.928       59.12226  1231.928       59.12226  1231.928       59.12226  0.000000       0.000000  
1 1 1 12 0  8  o 53.17313 1.468457  28.35399       1.554901  29.75246       2.260465  27.09801       2.142219  0.000000       0.000000  
1 1 1 12 0  9  o 102.4805 1.938307  104.1679       3.940799  95.69092       5.222297  115.3791       6.005731  0.000000       0.000000  
1 1 1 12 0  10 o 24.97042 1.766100  5.842647       0.5551845 7.200727       1.687947  5.677904       0.5878944 0.000000       0.000000  
1 1 1 12 0  11 o 20.93237 2.324913  2.657534       0.5753921 7.695652       2.135428  2.263113       0.5974908 0.000000       0.000000  
1 1 1 12 0  12 f 166.0461 2.358234  284.7387       7.019043  257.8590       12.92861  295.9727       8.358070  0.000000       0.000000  
1 1 1 12 0  13 o 14.17094 4.122205  1.951427       0.6986115 3.832368       2.668607  1.813035       0.7238559 0.000000       0.000000  
1 1 1 12 0  14 o 36.75266 2.030632  13.29452       1.086852  14.50291       2.731573  13.06724       1.184664  0.000000       0.000000  
1 1 1 12 0  15 o 92.68309 1.473669  86.03664       2.730139  86.03664       2.730139  86.03664       2.730139  0.000000       0.000000  
1 1 1 12 0  16 o 122.3950 2.006793  153.4633       4.595563  142.9201       7.901410  158.8530       5.649364  0.000000       0.000000  
1 1 1 12 0  17 o 70.28748 1.565620  52.61779       1.735587  45.06847       3.772365  54.64485       1.954759  0.000000       0.000000  
1 1 1 12 0  18 o 72.59471 1.685817  50.39445       1.707435  57.36493       4.647877  49.30702       1.835795  0.000000       0.000000  
1 1 1 12 0  19 o 13.42001 3.953843  2.667785       0.9284154 1.413133       3.081342  2.793059       0.9736628 0.000000       0.000000  
1 1 1 12 0  20 o 42.80146 2.247740  19.17210       1.104180  18.77138       3.530676  19.21554       1.162492  0.000000       0.000000  
1 1 1 12 0  21 o 7.728099 3.765884  0.7638017E-01  0.7946774 0.3671875      3.359718  0.5914621E-01  0.8178858 0.000000       0.000000  
1 1 1 12 0  22 o 13.83204 4.590206  1.586813       0.8306146 6.259887       3.135786  1.234197       0.8613825 0.000000       0.000000  
1 1 1 12 0  23 o 13.46314 3.537347  3.152805       0.9218321 1.504501       2.773959  3.357432       0.9773785 0.000000       0.000000  
1 1 1 12 1  0  o 280.6289 3.372745  788.7201       18.91755  789.5382       26.77831  787.9048       26.72866  0.000000       0.000000  
1 1 1 12 1  1  o 159.1966 2.721816  0.000000       0.000000  ?              ?         253.5415       8.666080  ?              ?         
1 1 1 12 1  2  o 67.33288 0.8689139 45.62732       1.145732  46.82674       1.487675  43.87880       1.796203  2.190079       1.737828  
1 1 1 12 1  3  o 273.5265 2.323742  748.2921       12.70853  758.9615       18.23430  738.2141       17.72179  3.788574       4.647483  
1 1 1 12 1  4  o 355.3922 3.017245  1262.920       21.43231  1292.781       30.98975  1235.542       29.67285  8.041046       6.034490  
1 1 1 12 1  5  o 283.3076 3.410575  803.2700       19.32058  793.7395       26.98537  813.2935       27.67451  -3.443420      6.821150  
1 1 1 12 1  6  f 46.91617 1.091431  22.03588       1.022627  22.47968       1.417226  21.55382       1.477053  0.9869843      2.182863  
1 1 1 12 1  7  o 131.6677 2.344349  173.0399       6.160931  166.7542       8.395639  180.3743       9.069016  -5.164322      4.688698  
1 1 1 12 1  8  o 139.4597 1.748444  194.6230       4.876714  195.2089       6.891157  194.0353       6.902287  0.4209137      3.496888  
1 1 1 12 1  9  o 238.3642 2.634382  570.4536       12.33910  563.1608       19.27821  575.5146       16.05963  -2.678146      5.268765  
1 1 1 12 1  10 o 56.82756 0.6555888 32.27644       0.7447550 33.01201       1.073651  31.59424       1.033956  1.247066       1.311178  
1 1 1 12 1  11 o 205.7916 1.769708  424.1646       7.283642  426.4023       10.34523  421.9651       10.25659  1.075226       3.539417  
1 1 1 12 1  12 o 109.7196 1.004967  120.4645       2.205236  121.3840       3.131824  119.5603       3.105689  0.8304214      2.009934  
1 1 1 12 1  13 o 192.8430 1.805707  373.8934       6.926224  361.6703       10.25240  384.1557       9.394102  -5.872589      3.611413  
1 1 1 12 1  14 o 14.57700 2.039479  2.125909       0.5586497 1.872763       0.7001234 2.569545       0.9268349 -2.307188      4.078958  
1 1 1 12 1  15 o 71.25608 1.000934  50.22389       1.393658  48.06622       1.772747  53.71519       2.255014  -3.938126      2.001869  
1 1 1 12 1  16 o 37.62400 0.9500176 14.12367       0.7063882 13.78985       0.9251631 14.59033       1.093862  -1.049820      1.900035  
1 1 1 12 1  17 o 77.53836 0.8595414 60.25784       1.332651  59.95150       1.863004  60.57883       1.907076  -0.4002228     1.719083  
1 1 1 12 1  18 o 46.54079 0.8343800 21.72193       0.7762265 22.75853       1.113427  20.74171       1.082717  2.162045       1.668760  
1 1 1 12 1  19 o 10.39820 2.294354  1.125032       0.5413131 0.7696769      0.8351243 1.382508       0.7108652 -1.984194      4.588709  
1 1 1 12 1  20 o 26.21618 1.436502  6.884754       0.7210271 6.629545       0.8911347 7.368552       1.226955  -1.265303      2.873004  
1 1 1 12 1  21 o 17.66115 1.687675  3.219928       0.5944363 2.931007       0.8363729 3.514848       0.8450136 -1.647253      3.375350  
1 1 1 12 1  22 o 12.46371 2.356082  1.782732       0.6082423 2.175415       0.8584827 1.386919       0.8618963 2.787562       4.712164  
1 1 1 12 1  23 o 8.324981 2.414665  0.3932048      0.6622967 -0.6404399E-01 0.8996397 0.9342304      0.9785911 -2.423176      4.829329  
1 1 1 12 2  0  o 206.7849 2.497094  428.0973       10.32004  430.9809       14.67877  425.2788       14.51214  0.000000       0.000000  
1 1 1 12 2  1  o 228.1479 2.492715  523.8777       11.29810  488.3147       16.61249  554.4822       15.41093  -14.51274      4.985429  
1 1 1 12 2  2  o 312.4665 2.652584  977.0755       16.57685  977.1076       23.45842  977.0436       23.42804  0.9948730E-02  5.305167  
1 1 1 12 2  3  o 113.0565 0.9940121 127.7997       2.247209  126.2889       3.143078  129.3796       3.214182  -1.366653      1.988024  
1 1 1 12 2  4  o 73.48001 0.7708907 54.20654       1.122581  52.32775       1.690031  55.69000       1.501735  -2.288292      1.541781  
1 1 1 12 2  5  o 304.2791 2.986008  925.2850       18.15148  953.8603       26.43226  899.7835       24.97022  8.871704       5.972016  
1 1 1 12 2  6  o 108.5405 1.403747  117.6998       3.044200  114.9523       4.194165  120.7587       4.425438  -2.673401      2.807493  
1 1 1 12 2  7  o 229.7735 3.937133  528.5854       18.07836  516.5046       24.96951  541.8952       26.20881  -5.500595      7.874265  
1 1 1 12 2  8  o 163.1445 1.828589  267.2343       5.874280  261.2443       9.092249  271.5259       7.696167  -3.171204      3.657179  
1 1 1 12 2  9  o 134.5764 1.465732  179.8571       3.667025  184.9123       6.571167  177.5709       4.419121  2.695267       2.931464  
1 1 1 12 2  10 o 142.4831 1.539090  203.0308       4.115300  203.7164       7.200816  202.6983       5.014997  0.3104248      3.078180  
1 1 1 12 2  11 o 162.9942 1.418038  265.8533       4.621560  270.1066       6.623867  261.8187       6.451294  2.537933       2.836077  
1 1 1 12 2  12 o 85.11903 0.9158940 72.70464       1.540689  73.91029       2.037573  71.09502       2.354315  1.661018       1.831788  
1 1 1 12 2  13 o 58.10071 0.8934103 33.82116       1.036742  34.91870       1.444842  32.65632       1.488480  1.948032       1.786821  
1 1 1 12 2  14 o 77.84064 0.9006673 60.77089       1.395328  59.20688       2.063381  62.08875       1.894058  -1.856346      1.801335  
1 1 1 12 2  15 o 62.05802 0.8364554 38.62335       1.036285  40.42760       1.446960  36.72342       1.484830  2.986172       1.672911  
1 1 1 12 2  16 o 59.96165 0.8574978 35.77262       1.013847  34.61288       1.317641  37.45566       1.587316  -2.350090      1.714996  
1 1 1 12 2  17 o 34.62916 0.9100568 12.00421       0.6281177 11.79536       0.8503348 12.25500       0.9318339 -0.6551437     1.820114  
1 1 1 12 2  18 o 69.85988 0.8484542 48.99306       1.184833  49.22394       1.651193  48.74801       1.701136  0.3483810      1.696908  
1 1 1 12 2  19 o 65.57857 0.9054818 43.32874       1.181759  42.18722       1.747335  44.29105       1.604328  -1.633537      1.810964  
1 1 1 12 2  20 o 49.79967 0.9820973 25.34944       0.9447656 26.44837       1.205659  23.60108       1.520740  2.951653       1.964195  
1 1 1 12 2  21 o 22.89169 1.380407  5.533784       0.6095288 6.601767       0.8213242 4.224478       0.9093961 5.238688       2.760813  
1 1 1 12 2  22 o 13.49400 2.249514  2.089678       0.5987944 2.345663       0.8166339 1.792000       0.8806289 2.048420       4.499029  
1 1 1 12 2  23 f 11.21865 2.576870  1.521309       0.6629973 1.604226       0.9063936 1.425893       0.9723127 0.5846157      5.153741  
1 1 1 12 3  0  o 186.7954 2.782034  345.7935       9.651772  339.5690       11.61897  359.6511       17.33640  0.000000       0.000000  
1 1 1 12 3  1  o 249.6460 2.752818  617.5117       13.29552  647.9310       22.00731  600.0277       16.68451  9.537933       5.505637  
1 1 1 12 3  2  o 244.6191 2.082615  598.6387       10.18880  596.2597       14.36183  601.0493       14.45692  -0.9782715     4.165230  
1 1 1 12 3  3  o 197.0806 1.739149  389.0894       6.648442  386.1471       10.79031  390.8900       8.441080  -1.216400      3.478297  
1 1 1 12 3  4  o 107.4154 1.030911  115.7732       2.206574  109.6042       3.205915  121.3263       3.041692  -5.456924      2.061821  
1 1 1 12 3  5  o 269.3400 2.646204  725.4910       14.24805  739.5701       20.52837  712.4047       19.79141  5.036377       5.292408  
1 1 1 12 3  6  o 218.8247 2.164056  478.5197       9.461102  466.9548       13.02852  491.4227       13.76159  -5.584045      4.328112  
1 1 1 12 3  7  o 235.8282 2.845628  555.4332       13.39640  578.3905       19.68826  535.6411       18.28068  9.042908       5.691257  
1 1 1 12 3  8  o 225.5496 2.487919  512.0192       11.10101  490.6121       16.79528  528.6264       14.79305  -8.466995      4.975838  
1 1 1 12 3  9  o 170.6459 1.805585  294.3077       5.889492  281.6991       9.800175  301.4355       7.368490  -5.828766      3.611171  
1 1 1 12 3  10 f 50.88672 0.9107166 26.17801       0.8401220 25.24983       1.548843  26.56495       1.000017  -1.299149      1.821433  
1 1 1 12 3  11 o 132.4275 1.264744  174.5078       3.299035  181.1900       5.175538  169.9345       4.281628  4.228851       2.529487  
1 1 1 12 3  12 o 91.05534 0.8741070 82.95805       1.591747  84.08883       2.252918  81.83096       2.249228  1.239754       1.748214  
1 1 1 12 3  13 o 31.21975 1.006432  9.755431       0.6243474 11.28614       0.8998507 8.334482       0.8669872 4.726315       2.012865  
1 1 1 12 3  14 o 46.86092 0.7947214 21.98535       0.7436638 22.20864       1.026350  21.73856       1.079024  0.5030174      1.589443  
1 1 1 12 3  15 o 88.73872 1.136868  79.74778       1.906551  76.29038       3.248813  81.56390       2.354642  -3.027008      2.273736  
1 1 1 12 3  16 o 59.85407 0.9075536 35.82407       1.082303  35.06875       1.461457  36.74143       1.610603  -1.385132      1.815107  
1 1 1 12 3  17 o 57.80013 0.7921461 33.44296       0.9134920 32.99686       1.245334  33.96260       1.344052  -0.8262596     1.584292  
1 1 1 12 3  18 o 25.80667 1.105714  6.715149       0.5693140 7.206885       0.8018165 6.215196       0.8084881 1.922728       2.211429  
1 1 1 12 3  19 o 8.321112 2.179153  0.4628386      0.5340552 0.9894283      0.6954895 -0.2938280     0.8336940 3.063892       4.358307  
1 1 1 12 3  20 o 19.92121 1.476039  4.088210       0.5814425 4.575505       0.8009969 3.545438       0.8453636 2.605618       2.952078  
1 1 1 12 3  21 o 15.73131 1.904598  2.570013       0.5800850 2.103989       0.7715542 3.175957       0.8797885 -3.556458      3.809195  
1 1 1 12 3  22 o 8.165138 2.308367  0.4668093      0.5774035 0.6593415      0.7710750 0.2210258      0.8712068 0.8351665      4.616734  
1 1 1 12 3  23 o 17.19863 2.102647  3.426853       0.6878053 3.816024       0.9160249 2.923861       1.041399  3.128422       4.205294  
1 1 1 12 4  0  o 151.3139 2.618467  229.3277       7.909108  232.9959       11.41499  225.9408       10.96869  0.000000       0.000000  
1 1 1 12 4  1  o 250.0538 2.753416  625.3893       13.47019  623.9340       17.32604  627.6130       21.41728  -0.6935883     5.506832  
1 1 1 12 4  2  o 322.7975 2.960781  1045.107       18.98705  1022.793       28.38206  1063.182       25.54496  -6.285553      5.921563  
1 1 1 12 4  3  o 635.9359 5.561481  4067.145       68.80428  4003.137       110.5617  4107.602       87.89886  -8.604797      11.12296  
1 1 1 12 4  4  o 502.1784 4.389114  2536.062       42.95033  2479.958       68.59732  2572.239       55.08397  -9.362183      8.778228  
1 1 1 12 4  5  o 176.8625 1.986544  307.4240       6.722293  294.8887       8.289674  331.4986       11.48812  -10.32777      3.973087  
1 1 1 12 4  6  o 403.6484 3.960575  1631.698       31.96126  1607.475       44.46697  1657.588       45.97060  -6.181946      7.921151  
1 1 1 12 4  7  o 107.7650 1.377138  116.0231       2.966080  120.0561       4.293668  112.3417       4.102220  3.577850       2.754276  
1 1 1 12 4  8  o 178.0128 1.986942  318.1720       6.968614  311.2460       10.76740  323.1640       9.141276  -3.374008      3.973885  
1 1 1 12 4  9  o 114.0121 1.273906  129.9990       2.738067  130.2135       4.746303  129.8921       3.352082  0.1218567      2.547813  
1 1 1 12 4  10 o 86.35893 1.056851  72.06046       1.657502  80.69012       3.156225  68.77424       1.947693  6.880791       2.113701  
1 1 1 12 4  11 o 175.8834 1.968658  311.3463       6.815262  318.0436       8.934533  302.0264       10.53959  4.612198       3.937317  
1 1 1 12 4  12 o 65.27334 0.7413684 42.64038       0.9672833 44.25410       1.366993  41.02215       1.368899  2.475739       1.482737  
1 1 1 12 4  13 o 40.85178 0.9298816 16.64259       0.7468295 16.39367       0.9673748 17.00981       1.174995  -0.7486343     1.859763  
1 1 1 12 4  14 o 111.5360 1.048987  124.5414       2.339748  126.8438       3.313586  122.2520       3.304240  2.058098       2.097974  
1 1 1 12 4  15 o 61.90013 1.048922  38.27978       1.196656  38.65676       2.168603  38.11473       1.434891  0.3941727      2.097844  
1 1 1 12 4  16 o 69.77093 0.8975011 48.78225       1.252342  48.71247       1.778193  48.85092       1.764048  -0.1003876     1.795002  
1 1 1 12 4  17 o 65.92084 0.8179545 43.59229       1.076501  44.25684       1.485568  42.85749       1.562119  1.068901       1.635909  
1 1 1 12 4  18 o 70.32766 0.9551284 49.94449       1.301025  50.72548       1.653257  48.67411       2.108558  1.537842       1.910257  
1 1 1 12 4  19 o 21.27559 1.371801  4.562524       0.5795032 4.423110       0.7695107 4.745179       0.8807995 -0.7213421     2.743602  
1 1 1 12 4  20 o 16.20055 1.845676  2.867986       0.5570930 3.468153       0.7446653 2.105156       0.8395360 4.500784       3.691352  
1 1 1 12 4  21 o 22.08778 1.381410  5.138867       0.5834857 5.614195       0.7473419 4.396754       0.9338071 2.861382       2.762820  
1 1 1 12 4  22 o 23.91985 1.322913  5.927085       0.6305138 5.956815       0.8572727 5.892052       0.9305957 0.2047768      2.645826  
1 1 1 12 4  23 o 10.22541 2.496458  1.068453       0.6703150 0.3394979      0.9099181 1.933510       0.9912300 -4.568928      4.992916  
1 1 1 12 5  0  o 86.23922 1.620142  74.10717       2.770523  78.04587       4.215955  71.11339       3.675613  0.000000       0.000000  
1 1 1 12 5  1  o 83.80225 1.018901  70.19822       1.671234  70.05444       2.151439  70.41699       2.653809  -0.2144775     2.037801  
1 1 1 12 5  2  o 282.5750 2.844372  798.6481       14.52586  800.1553       27.17877  798.0453       17.18637  0.2802124      5.688743  
1 1 1 12 5  3  o 253.0688 2.222445  642.4936       10.93778  632.9901       17.59982  648.4738       13.96128  -3.083450      4.444889  
1 1 1 12 5  4  o 360.8643 3.162710  1301.943       22.06605  1308.798       36.22142  1297.898       27.82543  1.430817       6.325419  
1 1 1 12 5  5  o 212.7658 2.350188  454.1034       9.832578  459.4162       12.82576  446.5298       15.31335  3.049484       4.700376  
1 1 1 12 5  6  o 216.4229 2.143750  467.5965       9.263853  486.4377       13.58211  451.2067       12.66777  8.130753       4.287500  
1 1 1 12 5  7  o 112.0303 1.425420  125.5519       3.193727  126.5535       4.516303  124.5501       4.516921  0.8941040      2.850840  
1 1 1 12 5  8  o 238.5712 2.360425  569.9081       11.26244  573.4022       15.97423  566.4545       15.88116  1.454239       4.720850  
1 1 1 12 5  9  o 65.62982 0.9421511 43.02895       1.179616  43.27126       1.996962  42.89908       1.461933  0.2779007      1.884302  
1 1 1 12 5  10 o 152.0038 1.436540  231.2746       4.328044  231.0627       6.574037  231.4367       5.749961  -0.1403503     2.873080  
1 1 1 12 5  11 o 229.7243 2.427317  525.4199       10.40220  540.4648       18.51703  518.4828       12.57371  4.513016       4.854633  
1 1 1 12 5  12 f 82.72572 0.9192327 67.83366       1.498653  72.12320       2.357580  64.92500       1.941367  4.341011       1.838465  
1 1 1 12 5  13 o 66.89035 0.9683177 44.73921       1.182188  44.87185       2.175885  44.68366       1.408155  0.1195297      1.936635  
1 1 1 12 5  14 o 136.8989 1.341601  188.2716       3.659622  180.5508       5.344717  195.0865       5.021376  -5.324173      2.683201  
1 1 1 12 5  15 o 30.93472 1.350621  8.900745       0.7790646 11.56250       1.449771  7.820047       0.9237782 6.005899       2.701242  
1 1 1 12 5  16 o 26.99738 1.107249  7.414641       0.5894637 8.300192       0.8041853 6.386392       0.8665599 3.550819       2.214499  
1 1 1 12 5  17 o 34.58860 0.9241363 12.11069       0.6328605 13.07881       0.8598344 10.96624       0.9348660 3.062401       1.848273  
1 1 1 12 5  18 o 33.07537 0.9738743 10.89811       0.6339406 10.47836       0.8192321 11.52461       1.000850  -1.548340      1.947749  
1 1 1 12 5  19 o 18.21395 1.754830  3.216909       0.5945132 2.952926       0.7074412 3.851511       1.096865  -2.304937      3.509660  
1 1 1 12 5  20 o 20.88471 1.486229  4.618218       0.5971843 5.519657       0.8022839 3.498199       0.8942779 4.884899       2.972458  
1 1 1 12 5  21 o 13.85716 2.127765  2.241694       0.5686220 2.711930       0.7159755 1.438471       0.9357462 4.722588       4.255530  
1 1 1 12 5  22 o 7.151799 2.177974  0.2406808E-01  0.5610519 -0.2011509     0.7331443 0.3423771      0.8715885 -1.703617      4.355947  
1 1 1 12 5  23 o 34.39476 1.245551  12.30602       0.8536360 13.86505       1.245151  10.92346       1.172564  4.185432       2.491101  
1 1 1 12 6  0  o 52.99844 1.260493  27.72992       1.318412  31.27362       2.056767  25.25821       1.717731  0.000000       0.000000  
1 1 1 12 6  1  o 97.90577 1.165664  94.99924       2.223089  99.62052       3.614547  92.18755       2.819404  3.792831       2.331329  
1 1 1 12 6  2  o 78.70052 0.8364294 61.95976       1.307579  61.78509       1.965968  62.09834       1.751031  -0.1995926     1.672859  
1 1 1 12 6  3  o 159.3657 1.638634  252.0306       4.664670  258.4753       8.948726  249.6261       5.466021  2.759933       3.277268  
1 1 1 12 6  4  o 347.5992 3.043355  1211.742       20.54999  1198.665       33.19648  1219.868       26.16639  -3.116425      6.086710  
1 1 1 12 6  5  o 228.0890 2.376120  524.5760       10.34027  506.9984       17.32256  534.3065       12.88833  -6.026093      4.752239  
1 1 1 12 6  6  o 220.8792 2.188896  487.3696       9.655928  473.9801       13.24071  502.5791       14.11199  -6.465286      4.377793  
1 1 1 12 6  7  o 47.40770 1.019257  22.76913       0.9517555 20.43507       1.431048  24.62042       1.274486  -4.415199      2.038514  
1 1 1 12 6  8  o 152.6581 1.548361  233.1910       4.727117  233.9431       6.655458  232.4253       6.715249  0.4979401      3.096721  
1 1 1 12 6  9  o 89.13435 1.116913  78.29447       1.897700  83.35315       3.261023  75.70416       2.333518  4.278549       2.233827  
1 1 1 12 6  10 o 63.69390 0.7641690 40.32943       0.9561592 41.87856       1.513406  39.30027       1.233536  2.020775       1.528338  
1 1 1 12 6  11 o 98.26217 1.142149  95.10022       2.089475  100.7680       3.760295  92.56848       2.513187  4.144730       2.284299  
1 1 1 12 6  12 o 43.26957 0.8629608 18.73427       0.7467246 18.49017       1.058258  18.97631       1.053813  -0.5618553     1.725922  
1 1 1 12 6  13 o 28.95172 1.366547  8.445834       0.7012112 8.285708       1.346781  8.505385       0.8213155 -0.4001389     2.733093  
1 1 1 12 6  14 o 79.35063 0.9461340 62.72247       1.480357  64.77256       2.311304  61.29652       1.927622  2.177299       1.892268  
1 1 1 12 6  15 o 68.07365 1.019602  46.94911       1.287353  45.01233       2.275753  47.86052       1.561142  -2.136833      2.039203  
1 1 1 12 6  16 o 42.08365 1.148948  18.06485       0.9317226 16.62091       1.504119  18.96388       1.186850  -2.818073      2.297897  
1 1 1 12 6  17 o 95.06395 1.151865  90.83401       2.188809  91.83558       3.055295  89.77802       3.137218  1.094231       2.303731  
1 1 1 12 6  18 o 50.66164 0.8196687 25.74575       0.8292172 27.78704       1.188873  23.81193       1.157151  3.918121       1.639337  
1 1 1 12 6  19 o 17.78546 1.947571  3.358145       0.6238489 3.480765       0.7615055 3.107903       1.087861  1.473743       3.895142  
1 1 1 12 6  20 o 20.85862 1.498074  4.512653       0.6138445 4.876192       0.8178163 4.043563       0.9289859 2.055746       2.996147  
1 1 1 12 6  21 o 16.96606 1.877106  3.257690       0.5683242 3.710174       0.7120982 2.463798       0.9432335 4.130136       3.754212  
1 1 1 12 6  22 o 23.50231 1.397925  5.721596       0.6470212 5.559320       0.8398847 5.958492       1.014779  -0.6629162     2.795849  
1 1 1 12 6  23 o 26.95539 1.303894  7.598297       0.7021991 7.215471       0.9677826 8.023906       1.020426  -1.431137      2.607787  
1 1 1 12 7  0  o 262.7383 4.486284  691.7930       23.53395  704.2791       33.87959  680.1506       32.71502  0.000000       0.000000  
1 1 1 12 7  1  o 165.9749 1.655630  275.0047       5.487799  266.1368       7.518445  285.1165       8.028476  -5.714935      3.311260  
1 1 1 12 7  2  o 101.3935 0.9621029 102.3997       1.880848  104.3640       3.118645  101.2768       2.357935  1.520164       1.924206  
1 1 1 12 7  3  o 166.6447 1.555346  278.5968       5.157715  268.4442       7.606907  287.2359       7.016976  -5.640976      3.110693  
1 1 1 12 7  4  o 227.9324 2.307523  521.2710       9.540343  516.2756       17.69074  523.3195       11.32891  -1.592789      4.615045  
1 1 1 12 7  5  o 458.5835 5.004990  2120.996       45.52253  2002.045       67.78147  2218.736       61.44159  -23.75403      10.00998  
1 1 1 12 7  6  o 38.45846 0.9092584 15.27751       0.6684992 12.93096       1.070326  16.77835       0.8559917 -5.002892      1.818517  
1 1 1 12 7  7  o 129.2443 1.236606  167.3911       3.178772  164.1014       4.726714  170.1075       4.295138  -2.327225      2.473213  
1 1 1 12 7  8  o 101.5267 1.084871  101.6878       2.182827  113.5654       3.376118  93.15621       2.861328  10.04600       2.169741  
1 1 1 12 7  9  o 73.62212 0.8235257 53.96776       1.187584  53.02405       1.525531  55.41937       1.892025  -1.623047      1.647051  
1 1 1 12 7  10 o 143.4542 1.312122  204.0903       3.614742  212.5066       6.079567  199.4881       4.495712  4.505737       2.624245  
1 1 1 12 7  11 o 100.6389 1.227862  100.3017       2.411290  106.1256       3.908699  96.72355       3.063750  4.650108       2.455724  
1 1 1 12 7  12 o 59.15781 0.8884547 35.16327       1.004477  34.51294       1.683424  35.52282       1.251726  -0.8630676     1.776909  
1 1 1 12 7  13 o 51.21058 0.8081914 26.03731       0.8130893 27.29315       1.289238  25.20790       1.047731  2.029972       1.616383  
1 1 1 12 7  14 o 169.7843 1.627117  287.9926       5.445614  295.2910       8.497607  282.9065       7.093657  3.562958       3.254234  
1 1 1 12 7  15 o 9.579182 2.513204  0.7186438      0.6457095 0.3673449      1.038144  0.9402999      0.8246298 -0.9361515     5.026408  
1 1 1 12 7  16 o 37.85986 1.036366  14.37609       0.7845033 14.36206       1.096022  14.39082       1.123394  -0.3519440E-01 2.072731  
1 1 1 12 7  17 o 39.44765 1.289655  15.52039       1.013056  14.04997       1.360727  17.34891       1.517397  -4.155235      2.579310  
1 1 1 12 7  18 o 13.95032 2.419115  2.154832       0.6774656 1.557071       1.039695  2.595903       0.8930915 -3.447264      4.838230  
1 1 1 12 7  19 o 42.80854 1.150857  18.31662       0.9170169 19.00258       1.641376  18.00536       1.105669  1.010536       2.301715  
1 1 1 12 7  20 o 20.12392 1.518090  4.233092       0.5934253 4.587188       0.7747798 3.730548       0.9230060 2.211868       3.036179  
1 1 1 12 7  21 o 7.620787 2.212030  -0.9300958E-01 0.5506465 -0.6144676     0.6760054 0.9352170      0.9492594 -4.536395      4.424060  
1 1 1 12 7  22 o 14.87463 2.096076  2.771027       0.6082096 3.899861       0.7981434 1.207737       0.9392599 8.849449       4.192153  
1 1 1 12 7  23 o 11.94966 2.635252  1.827778       0.6736504 1.996946       0.7581015 1.192866       1.468675  2.389221       5.270504  
1 1 1 12 8  0  o 91.85689 1.521748  81.74007       2.553921  91.38000       4.799563  77.93243       3.016423  0.000000       0.000000  
1 1 1 12 8  1  o 438.2460 4.561603  1917.586       37.50584  1942.516       65.80767  1905.592       45.64463  3.939331       9.123206  
1 1 1 12 8  2  o 274.7886 2.861227  758.9389       14.93055  766.3839       18.46869  744.8945       25.36623  3.967407       5.722453  
1 1 1 12 8  3  o 391.8365 3.438496  1537.834       26.12290  1540.608       33.12133  1533.268       42.49189  1.034882       6.876991  
1 1 1 12 8  4  o 407.5832 3.458596  1663.155       28.19217  1673.559       40.08996  1652.977       39.65311  2.519470       6.917191  
1 1 1 12 8  5  o 192.0817 1.787146  369.7760       6.824644  362.5798       10.17080  375.6696       9.204406  -3.414703      3.574293  
1 1 1 12 8  6  o 190.8863 1.894731  364.5310       7.233193  367.3914       10.29327  361.7406       10.16647  1.478943       3.789463  
1 1 1 12 8  7  o 168.0628 1.462073  282.0084       4.907821  293.3232       7.170827  272.0378       6.731409  6.327728       2.924145  
1 1 1 12 8  8  o 166.7213 1.579257  275.1907       5.134324  265.4429       6.516020  291.1541       8.338541  -7.683136      3.158513  
1 1 1 12 8  9  o 265.3740 2.270818  705.5734       12.05218  705.1537       17.00134  705.9974       17.08771  -0.1564026     4.541637  
1 1 1 12 8  10 o 69.39372 0.8294393 47.45837       1.107048  45.68692       1.375282  50.71890       1.865828  -3.619164      1.658879  
1 1 1 12 8  11 o 92.86742 0.9387258 84.80705       1.673322  91.47404       2.838984  81.25796       2.071365  5.484833       1.877452  
1 1 1 12 8  12 o 120.0007 1.724771  146.3124       3.375594  140.8462       7.281280  147.8089       3.809731  -3.044899      3.449542  
1 1 1 12 8  13 o 93.66370 0.9615705 88.22996       1.773511  85.24979       2.735667  90.39052       2.329302  -2.756554      1.923141  
1 1 1 12 8  14 o 94.59035 1.038178  89.69715       1.961389  85.50708       2.798257  93.74400       2.750019  -4.355919      2.076356  
1 1 1 12 8  15 o 58.93957 0.9065757 35.01184       1.055524  33.25898       1.601536  36.35795       1.403470  -2.640583      1.813151  
1 1 1 12 8  16 o 47.20509 0.9348784 22.32506       0.8805001 22.53289       1.293487  22.14561       1.201973  0.4015770      1.869757  
1 1 1 12 8  17 o 68.93645 1.026283  47.50052       1.348853  48.39244       2.293016  47.02858       1.667961  0.9060745      2.052566  
1 1 1 12 8  18 o 38.95264 1.134464  15.28444       0.8827007 16.35958       1.263264  14.25869       1.233909  2.689598       2.268929  
1 1 1 12 8  19 o 18.25245 2.094293  3.416080       0.7137724 3.747362       1.217828  3.242730       0.8809431 0.8984070      4.188587  
1 1 1 12 8  20 o 8.191404 2.586551  -0.1876830     0.7612143 -0.3679414     1.531888  -0.1285793     0.8771762 1.927441       5.173102  
1 1 1 12 8  21 o 12.71407 2.243532  1.850468       0.5560905 1.979594       0.6902881 1.611736       0.9385958 1.546952       4.487064  
1 1 1 12 8  22 o 10.00013 2.258701  1.176004       0.5382139 1.486669       0.6376348 0.4062138      1.003720  2.986645       4.517402  
1 1 1 12 8  23 o 13.28427 2.146412  2.409365       0.5871620 3.089614       0.7041855 0.8574520      1.063621  7.593530       4.292824  
1 1 1 12 9  0  o 89.25023 1.414919  77.84488       2.128393  83.40581       4.494792  76.23758       2.416485  0.000000       0.000000  
1 1 1 12 9  1  o 98.55046 1.197215  97.50637       2.324591  94.89588       3.586671  99.39718       3.052492  -2.285614      2.394430  
1 1 1 12 9  2  o 92.80249 1.021852  86.04742       1.895538  83.70129       2.627208  88.59484       2.737589  -2.636208      2.043705  
1 1 1 12 9  3  o 340.4303 3.549043  1158.839       22.74750  1155.993       27.80279  1164.602       39.56279  -1.128418      7.098086  
1 1 1 12 9  4  o 397.7841 4.270763  1583.903       33.97683  1583.903       33.97683  ?              ?         ?              ?         
1 1 1 12 9  5  o 486.0706 3.923451  2355.647       37.66041  2297.116       49.20988  2438.389       58.50873  -14.37024      7.846903  
1 1 1 12 9  6  o 92.20950 1.011573  85.01802       1.864831  84.29345       2.597171  85.78914       2.679284  -0.8105698     2.023147  
1 1 1 12 9  7  o 302.2199 2.578490  913.9425       15.57541  936.6116       22.52251  893.1642       21.56272  7.167999       5.156979  
1 1 1 12 9  8  o 87.02899 1.134619  73.24390       1.704787  70.90813       1.950826  80.79147       3.506768  -5.660461      2.269238  
1 1 1 12 9  9  o 135.3537 1.511529  183.6768       3.798189  184.1999       4.589346  182.5397       6.766729  0.6576538      3.023059  
1 1 1 12 9  10 o 214.7993 2.008951  460.4372       8.481483  452.5629       10.97494  472.1131       13.36415  -4.469269      4.017902  
1 1 1 12 9  11 o 46.36330 0.7957695 21.20187       0.7295567 23.46886       1.139297  19.62613       0.9498476 4.140625       1.591539  
1 1 1 12 9  12 o 53.17012 1.283432  28.21628       1.036688  28.44074       2.483706  28.16892       1.140816  0.2138214      2.566865  
1 1 1 12 9  13 o 82.29753 0.9718369 67.78964       1.595734  67.75897       2.339092  67.81635       2.182460  -0.3980255E-01 1.943674  
1 1 1 12 9  14 o 178.3298 1.696990  319.6912       6.019475  312.7904       8.940292  325.4136       8.141337  -3.594452      3.393979  
1 1 1 12 9  15 o 9.985563 2.591405  0.7993667      0.6846208 0.5966279      0.9882781 0.9864278      0.9492980 -0.9793930     5.182810  
1 1 1 12 9  16 o 64.50878 0.9621201 41.58905       1.239108  45.01703       1.809335  38.56123       1.700454  4.992954       1.924240  
1 1 1 12 9  17 o 16.10066 2.252135  2.669605       0.6795868 2.770995       1.157550  2.616277       0.8394921 0.6064224E-01  4.504269  
1 1 1 12 9  18 o 28.90832 1.248829  8.409433       0.7113693 8.592803       1.110301  8.281746       0.9265134 0.4886112      2.497658  
1 1 1 12 9  19 o 15.56715 1.977143  2.536988       0.6026543 2.429753       0.8543959 2.643169       0.8501834 -0.9384518     3.954286  
1 1 1 12 9  20 o 17.30294 2.113992  3.795789       0.6580749 5.592304       0.8610000 1.271923       1.020519  12.28683       4.227985  
1 1 1 12 9  21 o 14.35227 2.256606  2.277039       0.6539232 3.083544       0.9474102 1.543218       0.9037107 5.323081       4.513212  
1 1 1 12 9  22 o 28.66121 1.217906  8.509240       0.6867447 10.50776       0.9916196 6.667230       0.9519988 6.662647       2.435811  
1 1 1 12 9  23 o 14.45479 2.274088  2.285604       0.6007016 1.964827       0.7161635 3.046881       1.103268  -2.744761      4.548176  
1 1 1 12 10 0  o 21.59450 2.181492  4.578558       0.8168737 5.650809       1.580748  4.187893       0.9541493 0.000000       0.000000  
1 1 1 12 10 1  o 249.9032 2.761247  623.3464       13.47025  617.7587       17.22678  632.1389       21.60918  -2.840393      5.522493  
1 1 1 12 10 2  o 315.1476 3.199405  975.9507       17.75029  956.5522       20.57502  1032.408       35.10058  -11.88818      6.398809  
1 1 1 12 10 3  o 143.3552 1.543295  206.5255       4.196152  208.6515       5.184107  202.4862       7.145772  2.161179       3.086590  
1 1 1 12 10 4  o 389.0269 4.057822  1508.772       29.56013  1494.955       35.88570  1537.936       52.13595  -5.252655      8.115644  
1 1 1 12 10 5  o 213.0304 2.157171  457.8106       8.401243  463.3875       10.05337  444.9008       15.29611  4.390411       4.314341  
1 1 1 12 10 6  o 52.85501 0.8967298 27.93857       0.9479333 27.93857       0.9479333 ?              ?         ?              ?         
1 1 1 12 10 7  o 206.9148 2.104068  429.9800       7.898508  431.9002       9.382100  425.3073       14.63552  1.685822       4.208137  
1 1 1 12 10 8  o 281.2363 2.404203  791.9875       13.51712  780.1544       18.78951  804.6806       19.46031  -4.342560      4.808406  
1 1 1 12 10 9  o 96.75501 0.9330994 93.66940       1.803741  94.12263       2.497515  93.17525       2.607809  0.4910583      1.866199  
1 1 1 12 10 10 o 71.42311 0.8364162 50.96658       1.193116  52.18434       1.741886  49.89029       1.637581  1.604378       1.672832  
1 1 1 12 10 11 o 55.95718 0.8121203 31.20853       0.9064338 32.88351       1.343071  29.80742       1.228376  2.746296       1.624241  
1 1 1 12 10 12 o 144.1298 1.527471  207.4548       4.000256  209.6397       7.432029  206.5637       4.746455  0.9604340      3.054942  
1 1 1 12 10 13 o 54.60457 0.9328368 29.84239       1.018660  29.96497       1.433222  29.71725       1.448099  0.2272911      1.865674  
1 1 1 12 10 14 o 92.10577 1.148296  80.51031       1.843449  94.16102       3.784949  76.26514       2.110718  9.631294       2.296592  
1 1 1 12 10 15 o 41.07651 1.065996  16.88340       0.8746840 16.40445       1.201775  17.42291       1.275494  -1.234356      2.131992  
1 1 1 12 10 16 o 57.60692 0.8922539 33.17074       1.016295  33.87379       1.566963  32.66027       1.335211  1.031578       1.784508  
1 1 1 12 10 17 o 11.48989 2.418404  1.198001       0.6230568 0.5831908      0.8003655 2.143656       0.9926226 -5.384331      4.836808  
1 1 1 12 10 18 o 27.57468 1.147747  7.708505       0.6251274 7.979555       0.8303502 7.353892       0.9497610 1.163406       2.295494  
1 1 1 12 10 19 o 37.02210 0.9417968 13.80710       0.6903353 13.81882       0.9141912 13.79155       1.053027  0.7431030E-01  1.883594  
1 1 1 12 10 20 o 50.03329 1.039145  25.95054       1.008969  28.81156       1.326608  22.02456       1.554018  6.866188       2.078291  
1 1 1 12 10 21 o 20.19703 1.900344  4.420121       0.7196953 5.841866       1.037241  3.100176       0.9994177 6.971394       3.800689  
1 1 1 12 10 22 o 16.50566 2.329951  3.258013       0.7232389 3.697214       0.9187374 2.542337       1.172784  4.160723       4.659901  
1 1 1 12 10 23 o 13.08030 2.621798  2.436156       0.8226380 3.154183       0.9774926 0.6930251      1.523030  6.608377       5.243595  
1 1 1 12 11 0  o 469.5226 5.641944  2205.306       52.86441  2135.927       72.37635  2284.649       77.39929  0.000000       0.000000  
1 1 1 12 11 1  o 418.7172 3.688289  1743.738       29.64110  1714.534       36.88817  1796.955       49.79593  -9.684296      7.376577  
1 1 1 12 11 2  o 190.6848 1.933488  370.0259       6.842378  381.2743       8.326042  346.6251       12.00902  9.110321       3.866975  
1 1 1 12 11 3  o 212.5386 2.160037  451.7351       8.290751  451.4311       9.804407  452.4981       15.53175  -0.2028503     4.320073  
1 1 1 12 11 4  o 180.5031 1.687928  326.0541       6.031066  326.8059       7.983249  325.0544       9.205078  0.4942474      3.375855  
1 1 1 12 11 5  o 155.0113 1.577396  240.3145       4.889482  237.3431       6.839664  243.4200       6.992409  -1.958893      3.154793  
1 1 1 12 11 6  o 53.40337 0.7756727 28.11104       0.7856618 27.26872       0.9613407 29.80510       1.363347  -2.372452      1.551345  
1 1 1 12 11 7  o 201.6243 1.799080  407.1922       7.024900  408.1783       8.892602  405.5553       11.45718  0.6925507      3.598161  
1 1 1 12 11 8  o 115.8852 1.334102  134.3344       3.092053  134.3344       3.092053  ?              ?         ?              ?         
1 1 1 12 11 9  o 74.14404 0.8050801 55.38432       1.161849  56.79077       1.491651  53.21484       1.852597  2.415741       1.610160  
1 1 1 12 11 10 o 247.1809 3.460058  612.9451       17.10521  612.9451       17.10521  ?              ?         ?              ?         
1 1 1 12 11 11 o 60.39338 0.8822172 37.26244       1.043411  42.69199       1.414468  30.78096       1.545427  9.864071       1.764434  
1 1 1 12 11 12 o 83.60780 0.8885317 69.93069       1.482611  69.71597       2.030128  70.17610       2.170346  -0.2717285     1.777063  
1 1 1 12 11 13 o 151.8107 1.353533  230.8632       4.109234  230.3856       5.769424  231.3550       5.854171  -0.3153839     2.707065  
1 1 1 12 11 14 o 65.81901 0.8979973 43.40100       1.181031  42.47123       1.695487  44.27736       1.646070  -1.374191      1.795995  
1 1 1 12 11 15 o 43.05077 1.025743  18.61776       0.8776253 18.97879       1.183329  18.17641       1.308368  0.9415932      2.051486  
1 1 1 12 11 16 o 63.56691 0.8894057 40.73539       1.115071  42.01945       1.473394  39.01402       1.705937  2.385735       1.778811  
1 1 1 12 11 17 o 19.01455 1.506549  3.609748       0.5690801 3.121488       0.7607529 4.230104       0.8575083 -2.890505      3.013098  
1 1 1 12 11 18 o 31.55796 1.065821  10.14422       0.6619953 10.83461       0.8809404 9.248612       1.003367  2.540077       2.131642  
1 1 1 12 11 19 o 13.71741 2.199067  2.006389       0.5829186 1.893000       0.7602966 2.168100       0.9079636 -0.8753443     4.398133  
1 1 1 12 11 20 o 50.15920 1.135310  25.57532       1.124452  25.93250       1.483390  25.09284       1.724035  0.9414177      2.270620  
1 1 1 12 11 21 o 24.86809 1.501396  6.487657       0.7398540 7.301393       1.032069  5.627401       1.061160  3.393837       3.002792  
1 1 1 12 11 22 o 22.53825 1.580143  5.414279       0.7008620 6.594406       1.005513  4.299169       0.9774214 5.053761       3.160285  
1 1 1 12 11 23 o 7.524221 2.454887  -0.2695675     0.8315422 0.7188121E-01  0.9844902 -1.119583      1.553324  -0.8825541E-01 4.909773  
1 1 1 12 12 0  o 23.95583 1.530330  5.843726       0.7188219 5.522995       0.9637939 6.245777       1.079083  0.000000       0.000000  
1 1 1 12 12 1  f 345.2355 3.172912  1195.232       21.74981  1211.261       29.16925  1175.161       32.64037  5.269409       6.345825  
1 1 1 12 12 2  o 474.6214 4.772758  2256.706       40.87802  2254.426       48.31945  2262.444       76.66685  -0.3192444     9.545516  
1 1 1 12 12 3  o 100.0861 1.488580  98.76594       2.173637  98.11514       2.365011  102.3060       5.515886  -2.074715      2.977160  
1 1 1 12 12 4  o 262.9824 2.323344  690.8182       11.80072  687.2194       14.85071  696.9833       19.43776  -1.806824      4.646687  
1 1 1 12 12 5  o 74.64922 1.016401  55.90253       1.510068  62.40068       2.138955  49.44550       2.132177  8.677322       2.032803  
1 1 1 12 12 6  o 191.2644 1.786853  367.0830       6.800526  377.0885       9.238997  355.2522       10.04645  5.720139       3.573705  
1 1 1 12 12 7  o 114.9958 1.146578  132.7340       2.624585  137.7200       3.584000  126.9681       3.854155  4.677986       2.293155  
1 1 1 12 12 8  o 270.7115 2.499668  736.2410       13.44615  750.5397       18.11666  718.7040       20.06346  5.943359       4.999336  
1 1 1 12 12 9  o 67.39426 0.9059498 46.08917       1.184308  48.37893       1.522919  42.58574       1.883772  4.303017       1.811900  
1 1 1 12 12 10 o 273.3492 2.770764  754.4062       13.78691  760.1131       16.43130  740.8312       25.34203  4.009735       5.541529  
1 1 1 12 12 11 o 84.03514 1.070995  69.50686       1.640703  67.89823       1.942478  73.51151       3.064859  -3.310165      2.141991  
1 1 1 12 12 12 o 100.9046 1.039673  101.4806       1.979908  100.6290       2.422155  103.1955       3.437054  -1.241364      2.079346  
1 1 1 12 12 13 o 59.12246 0.8466408 35.00255       0.9959222 35.21255       1.343985  34.74681       1.483173  0.3979607      1.693282  
1 1 1 12 12 14 o 159.5652 1.636847  255.6729       5.223528  255.4653       7.357947  255.8838       7.416774  -0.1258240     3.273695  
1 1 1 12 12 15 o 19.20301 1.909744  3.910364       0.6860545 4.741120       0.9282847 2.910439       1.018423  5.021719       3.819488  
1 1 1 12 12 16 o 45.89394 1.026466  21.14524       0.9382188 21.29047       1.272374  20.97217       1.388963  0.3598251      2.052932  
1 1 1 12 12 17 o 8.712915 2.274342  0.3983315      0.5596570 -0.1634907     0.7333697 1.181768       0.8660149 -4.232084      4.548685  
1 1 1 12 12 18 o 35.19139 1.005973  12.46435       0.7078223 12.74898       0.9978324 12.17606       1.004222  0.8153915      2.011945  
1 1 1 12 12 19 o 34.07995 1.071758  11.79465       0.7221249 12.27063       0.9633318 11.18412       1.091025  1.632675       2.143516  
1 1 1 12 12 20 o 34.05417 1.135270  11.89439       0.7620540 12.70699       1.018461  10.86075       1.148662  2.769741       2.270540  
1 1 1 12 12 21 o 22.59915 1.878428  5.564389       0.7765257 5.762493       0.9400817 5.138921       1.377694  1.918974       3.756855  
1 1 1 12 12 22 o 26.43530 1.380716  7.367907       0.7261134 7.900745       1.004774  6.785455       1.050511  2.167208       2.761432  
1 1 1 12 12 23 o 12.78248 2.673582  2.201679       0.7168074 2.323353       0.8479668 1.897065       1.341701  2.107361       5.347164  
1 1 1 12 13 0  o 337.4374 4.915246  1161.171       32.37846  1035.751       49.84062  1252.752       42.58968  0.000000       0.000000  
1 1 1 12 13 1  o 146.3777 1.293410  214.2825       3.786212  216.0663       5.396729  212.5536       5.313273  1.199417       2.586819  
1 1 1 12 13 2  o 82.23061 1.335263  69.29100       1.961536  71.45609       2.323218  63.91556       3.660665  4.592430       2.670527  
1 1 1 12 13 3  o 432.6360 3.970622  1875.173       33.99196  1872.906       44.90799  1878.214       52.01505  -0.4847412     7.941243  
1 1 1 12 13 4  o 405.1667 4.247913  1627.045       31.93719  1596.048       38.37437  1696.897       57.60716  -12.01639      8.495826  
1 1 1 12 13 5  o 448.4187 3.940681  2016.481       34.20168  2014.386       43.22412  2019.989       55.93305  -0.2650452     7.881363  
1 1 1 12 13 6  o 247.7638 2.197784  612.9194       10.49834  608.3217       13.17187  620.9271       17.38299  -2.463013      4.395567  
1 1 1 12 13 7  o 336.6181 2.967281  1136.413       19.34284  1137.002       24.47401  1135.433       31.57160  0.4625854      5.934563  
1 1 1 12 13 8  o 114.4074 1.089358  131.5331       2.423803  133.5073       3.098657  128.4213       3.890449  2.234726       2.178715  
1 1 1 12 13 9  o 58.77902 0.8201655 33.90377       0.9366714 31.96312       1.176699  37.26027       1.547513  -4.500843      1.640331  
1 1 1 12 13 10 o 261.6001 2.666495  686.6001       12.55912  685.5612       14.82307  689.2437       23.64450  -0.1947632     5.332991  
1 1 1 12 13 11 o 45.28675 1.055833  19.55430       0.8855509 18.11308       1.050697  23.08883       1.645420  -5.477783      2.111665  
1 1 1 12 13 12 o 56.32068 0.8391402 31.15636       0.8852062 30.13322       1.069025  33.38819       1.578880  -2.876598      1.678280  
1 1 1 12 13 13 o 88.80568 0.9864999 79.11282       1.733184  80.13732       2.296823  77.75797       2.641305  1.351929       1.973000  
1 1 1 12 13 14 o 80.24821 0.9612768 64.44080       1.539020  65.35140       2.264205  63.65879       2.098261  1.044716       1.922554  
1 1 1 12 13 15 f 64.58139 1.066802  40.51681       1.233532  38.97832       1.438467  44.79189       2.397865  -4.406948      2.133605  
1 1 1 12 13 16 o 71.14244 0.9350016 50.70447       1.319815  51.20825       2.000755  50.31636       1.756088  0.5996780      1.870003  
1 1 1 12 13 17 o 21.07539 1.496640  4.577034       0.6128151 4.911941       0.7966939 4.091765       0.9590061 1.989515       2.993280  
1 1 1 12 13 18 o 22.38412 1.466278  5.118158       0.6507874 5.500043       0.8873892 4.673745       0.9572845 1.868603       2.932556  
1 1 1 12 13 19 o 35.06469 1.100819  12.12053       0.7582906 15.89905       1.167078  9.360061       0.9975392 9.271196       2.201638  
1 1 1 12 13 20 o 23.83248 1.609143  5.848825       0.7635435 5.746587       1.128510  5.935141       1.036922  -0.4524403     3.218287  
1 1 1 12 13 21 o 26.75998 1.452549  7.691848       0.7472745 8.738182       0.9807954 6.243932       1.153759  4.824011       2.905097  
1 1 1 12 13 22 o 11.62303 2.680247  1.664617       0.7266490 1.903665       0.9081749 1.239288       1.211405  1.949312       5.360495  
1 1 1 12 13 23 o 8.805111 2.796426  0.2097591      1.036096  0.5973532      1.441888  -0.2040263     1.489809  0.9859037      5.592853  
1 1 1 12 14 0  o 33.51629 1.765118  11.15999       1.077398  12.08733       1.981874  10.77097       1.283644  0.000000       0.000000  
1 1 1 12 14 1  o 216.4229 2.010065  469.4264       8.636455  475.4774       11.57485  461.8266       12.97174  3.166229       4.020130  
1 1 1 12 14 2  o 407.4485 3.742058  1663.689       30.19618  1666.859       40.02781  1659.504       46.00006  1.005524       7.484117  
1 1 1 12 14 3  o 161.5990 1.471247  259.9387       4.573237  256.6086       5.712595  265.8814       7.631454  -2.854721      2.942495  
1 1 1 12 14 4  o 347.9117 3.427490  1212.972       23.84830  1221.645       33.91482  1204.489       33.54145  2.457336       6.854980  
1 1 1 12 14 5  o 231.3612 2.364220  535.2558       9.843086  534.3371       11.61065  537.6027       18.55873  -0.5754547     4.728441  
1 1 1 12 14 6  o 235.2095 2.412691  547.0911       10.05615  539.1699       11.71502  569.2711       19.60326  -6.219833      4.825382  
1 1 1 12 14 7  o 132.4753 1.424694  175.4383       3.384074  175.2102       3.982860  176.0303       6.417351  -0.2682800     2.849388  
1 1 1 12 14 8  o 176.1299 1.830870  310.1743       5.794007  309.5684       6.827396  311.7339       10.95339  -0.5064850     3.661741  
1 1 1 12 14 9  o 49.12169 1.214558  23.55569       0.9138044 23.23719       1.004943  25.07655       2.196015  -1.847046      2.429115  
1 1 1 12 14 10 f 174.8376 1.574946  308.2755       5.385815  316.6550       6.979130  295.9382       8.468486  5.981964       3.149893  
1 1 1 12 14 11 o 46.04209 0.8667169 21.60834       0.7735811 23.06054       0.9993750 19.43749       1.221882  3.939442       1.733434  
1 1 1 12 14 12 o 118.5650 1.196245  139.4589       2.776597  134.6929       3.550393  146.9641       4.455306  -5.139900      2.392490  
1 1 1 12 14 13 o 28.56198 1.251043  8.355351       0.6910766 9.018791       0.8933107 7.366483       1.090614  2.901953       2.502086  
1 1 1 12 14 14 o 102.1644 1.300907  103.5617       2.566822  100.4699       3.212216  109.0235       4.269337  -4.096970      2.601815  
1 1 1 12 14 15 o 27.78038 1.275518  7.593406       0.6877367 7.134592       0.8621063 8.396419       1.140522  -2.236212      2.551035  
1 1 1 12 14 16 o 30.81290 1.175751  9.584661       0.7211700 10.41993       1.006157  8.702190       1.034198  2.791578       2.351501  
1 1 1 12 14 17 o 13.91697 2.110510  1.887491       0.5836914 1.163308       0.7460044 3.030658       0.9372852 -6.639900      4.221020  
1 1 1 12 14 18 o 36.99557 1.013062  13.93561       0.7373093 14.80896       0.9782682 12.78709       1.121840  2.766499       2.026124  
1 1 1 12 14 19 o 33.09647 1.237888  11.12709       0.8094572 11.25665       1.068824  10.95283       1.239545  0.5257988      2.475775  
1 1 1 12 14 20 o 32.35004 1.414047  10.73655       0.9053589 11.00574       1.206400  10.38948       1.369863  1.042208       2.828095  
1 1 1 12 14 21 o 25.60332 1.560729  7.228113       0.7495961 8.477167       0.9705968 5.381971       1.179996  6.252867       3.121458  
1 1 1 12 14 22 o 19.23495 1.804097  4.010227       0.6839514 3.952393       0.8935715 4.092041       1.062797  -0.7522011E-01 3.608194  
1 1 1 12 15 0  o 239.9952 4.135886  574.3058       19.73305  611.1613       29.68277  545.1172       26.41559  0.000000       0.000000  
1 1 1 12 15 1  o 171.8136 1.502450  295.1951       5.161632  299.5680       7.397088  291.0453       7.205963  2.478806       3.004900  
1 1 1 12 15 2  o 141.5389 1.558240  197.3903       4.075350  192.7196       4.874063  208.2426       7.429564  -5.462860      3.116480  
1 1 1 12 15 3  o 131.6706 1.278775  172.7636       3.318805  177.2295       5.181229  169.6564       4.321802  2.868820       2.557550  
1 1 1 12 15 4  f 115.8626 1.167391  134.3835       2.683518  135.1022       3.581074  133.4630       4.052664  0.7116318      2.334783  
1 1 1 12 15 5  o 96.32993 0.9840186 92.85194       1.832916  92.95343       2.314111  92.68108       3.002604  0.1473541      1.968037  
1 1 1 12 15 6  o 185.9423 1.676520  344.5521       5.997509  340.6702       7.496557  351.4548       9.996630  -2.855270      3.353041  
1 1 1 12 15 7  o 117.1586 1.272477  140.0483       2.765242  144.9088       3.367413  129.9842       4.845577  6.394051       2.544954  
1 1 1 12 15 8  o 34.22626 0.9837922 11.16845       0.6408620 10.06342       0.7779604 13.50159       1.130425  -5.017275      1.967584  
1 1 1 12 15 9  o 67.10204 0.9660583 45.58505       1.210727  46.58955       1.478014  43.53619       2.110871  2.286873       1.932117  
1 1 1 12 15 10 o 136.0492 1.324853  185.8203       3.580072  189.8537       4.818965  180.8522       5.348276  3.325836       2.649706  
1 1 1 12 15 11 o 61.79952 0.8725747 38.19360       1.063170  38.09140       1.390342  38.33752       1.649841  -0.1929474     1.745149  
1 1 1 12 15 12 o 142.3214 1.326984  202.2337       3.630125  200.5345       4.535240  205.2633       6.055949  -1.594330      2.653967  
1 1 1 12 15 13 o 71.47086 0.8814365 51.81701       1.204114  53.59227       1.510696  48.72449       1.993892  3.423698       1.762873  
1 1 1 12 15 14 o 20.09456 2.340619  4.509109       0.8535917 5.908179       1.134063  2.680545       1.296500  8.300622       4.681238  
1 1 1 12 15 15 o 55.91525 0.9522849 31.37252       1.033821  31.45081       1.313943  31.24529       1.675024  0.2190323      1.904570  
1 1 1 12 15 16 o 69.35460 0.9214379 48.27532       1.277395  47.41608       1.827209  49.09669       1.786497  -1.216545      1.842876  
1 1 1 12 15 17 o 22.20385 1.628029  5.029106       0.7193587 4.743067       1.051697  5.280586       0.9861199 -1.232979      3.256059  
1 1 1 12 15 18 o 16.64475 2.009865  3.035769       0.6207801 3.507612       0.8039294 2.338915       0.9769893 3.855636       4.019729  
1 1 1 12 15 19 o 20.04787 1.677632  4.172480       0.6562947 4.312990       0.8496786 3.964669       1.033320  0.9817238      3.355263  
1 1 1 12 15 20 o 9.482006 2.541949  0.6080186      0.6902677 0.5108373E-01  0.9146994 1.344716       1.052012  -3.613295      5.083897  
1 1 1 12 15 21 o 31.52966 1.434790  10.90200       0.8413141 12.27512       1.061441  8.581569       1.379832  6.175972       2.869581  
1 1 1 12 15 22 o 12.81386 2.627782  2.034878       0.7118095 2.069315       0.9696203 1.994627       1.048276  0.3490438      5.255564  
1 1 1 12 16 0  o 253.3573 3.081670  642.8466       15.60263  636.3647       21.83979  649.6035       22.29825  0.000000       0.000000  
1 1 1 12 16 1  o 185.8872 1.871765  344.7047       6.941451  331.8929       9.426299  359.8830       10.25999  -7.519409      3.743531  
1 1 1 12 16 2  o 78.00713 1.059244  60.61332       1.618238  62.08231       2.577793  59.65789       2.078913  1.550446       2.118487  
1 1 1 12 16 3  o 153.7263 1.470007  236.0024       4.464000  239.1199       6.894830  233.7525       5.857384  1.734116       2.940013  
1 1 1 12 16 4  o 173.4492 1.572065  301.0055       5.280077  300.9407       6.678232  301.1136       8.623610  -0.2377319E-01 3.144131  
1 1 1 12 16 5  o 252.8958 2.256396  634.7456       10.90522  621.5172       13.48683  659.7281       18.53423  -7.442581      4.512792  
1 1 1 12 16 6  o 220.7706 2.056774  489.4162       9.027196  501.1887       12.20391  475.1922       13.41456  5.917847       4.113548  
1 1 1 12 16 7  o 210.8155 1.886204  445.7856       7.710789  447.9955       9.786660  442.1682       12.52120  1.455963       3.772408  
1 1 1 12 16 8  o 44.26968 1.062883  20.07246       0.8561465 20.77475       1.027385  18.47643       1.548795  2.605114       2.125767  
1 1 1 12 16 9  o 22.30037 1.554916  4.753573       0.6768967 3.933234       0.8526974 6.151361       1.113061  -4.964403      3.109832  
1 1 1 12 16 10 o 104.0813 1.303975  108.3779       2.662998  108.8831       4.198549  108.0379       3.444506  0.3814621      2.607950  
1 1 1 12 16 11 o 54.86366 0.8616011 29.89657       0.8919821 29.45957       1.089409  30.78540       1.553669  -1.196690      1.723202  
1 1 1 12 16 12 o 32.52044 1.119248  11.10766       0.6591002 11.94080       0.7978402 9.317160       1.169623  4.047556       2.238497  
1 1 1 12 16 13 o 80.25438 1.487536  63.94777       1.744717  63.64178       1.900209  65.59128       4.403811  -1.038322      2.975072  
1 1 1 12 16 14 o 58.07682 1.066582  34.07142       1.213067  32.45930       1.896115  35.18846       1.578340  -2.374790      2.133164  
1 1 1 12 16 15 o 39.21541 1.195114  15.21065       0.9273774 13.93996       1.209205  17.02554       1.445123  -3.904388      2.390228  
1 1 1 12 16 16 o 12.60974 2.452693  1.705400       0.6606202 2.200260       0.8905192 1.099784       0.9851472 3.594179       4.905385  
1 1 1 12 16 17 o 44.35240 1.138541  19.70085       0.9686236 20.26652       1.627931  19.39082       1.205170  0.8849487      2.277081  
1 1 1 12 16 18 o 20.06278 1.875403  4.151288       0.6950301 4.175504       0.8383660 4.098064       1.242890  0.4006672      3.750806  
1 1 1 12 16 19 o 30.74480 1.367470  9.873766       0.7714422 10.27559       0.9342635 9.012719       1.367619  2.265387       2.734939  
1 1 1 12 16 20 o 33.11573 1.268615  11.29115       0.8341910 12.89401       1.185362  9.718426       1.174166  4.786583       2.537229  
1 1 1 12 16 21 o 11.43613 2.528230  1.495596       0.7219267 2.299273       0.9616832 0.4579333      1.092746  5.165311       5.056460  
1 1 1 12 16 22 o 8.574928 2.557183  0.4448571      0.7511176 0.3807471      1.074462  0.5061309      1.050427  -0.1964388     5.114367  
1 1 1 12 17 0  o 287.2225 3.480353  826.7248       19.97957  828.0082       28.27672  825.4451       28.23410  0.000000       0.000000  
1 1 1 12 17 1  o 171.4093 1.625176  293.1677       5.495823  298.8196       8.539925  289.1722       7.180248  2.797623       3.250352  
1 1 1 12 17 2  o 199.0780 1.991100  396.6580       7.927456  398.7090       11.26313  394.6445       11.15981  1.019180       3.982201  
1 1 1 12 17 3  o 97.85487 1.022925  95.89736       1.988202  94.75584       2.982957  96.80984       2.666986  -1.052292      2.045850  
1 1 1 12 17 4  o 55.86265 0.9238029 30.97685       1.024067  29.44448       1.352694  33.03432       1.567413  -3.211193      1.847606  
1 1 1 12 17 5  o 247.0618 2.299587  611.1668       11.23658  609.6918       14.81905  613.1619       17.23505  -0.6397705     4.599173  
1 1 1 12 17 6  o 175.9363 1.670418  309.3078       5.801219  306.4466       7.597849  313.3077       8.983456  -1.918564      3.340837  
1 1 1 12 17 7  o 146.3219 1.421652  214.2271       4.112626  213.8809       5.419014  214.6972       6.315671  -0.2594147     2.843304  
1 1 1 12 17 8  o 81.24614 1.207177  65.01162       1.933354  60.30183       2.495494  72.08272       3.057735  -7.237289      2.414354  
1 1 1 12 17 9  o 110.3126 1.089198  121.2399       2.301541  119.9027       2.860875  123.6929       3.874855  -1.690704      2.178395  
1 1 1 12 17 10 o 115.7147 1.131129  132.4797       2.487522  129.2056       3.054092  138.9322       4.287498  -4.167107      2.262258  
1 1 1 12 17 11 o 92.96980 1.150813  87.88426       2.032001  91.07941       2.532326  82.10715       3.405092  4.856476       2.301627  
1 1 1 12 17 12 f 133.8233 1.447742  180.5271       3.509519  181.9856       4.168480  176.9767       6.503865  1.991425       2.895485  
1 1 1 12 17 13 o 50.21471 1.091306  25.97141       0.9147822 26.57905       1.045396  23.98529       1.889977  2.635204       2.182611  
1 1 1 12 17 14 o 65.16260 0.9510652 42.94515       1.219417  44.99581       1.610173  40.18729       1.867284  3.711182       1.902130  
1 1 1 12 17 15 o 32.02747 1.297176  10.31344       0.8305652 10.42332       1.161898  10.19861       1.187721  0.3544502      2.594352  
1 1 1 12 17 16 o 45.82611 0.9316810 20.77247       0.8357170 19.62970       1.064390  22.60937       1.349472  -3.203503      1.863362  
1 1 1 12 17 17 o 17.73346 2.439189  3.462213       0.8036999 2.831336       1.336664  3.819442       1.005827  -3.231600      4.878379  
1 1 1 12 17 18 o 25.04039 1.385216  6.387772       0.6732906 6.451778       0.8576178 6.284950       1.086994  0.4239025      2.770432  
1 1 1 12 17 19 o 46.63261 1.024745  22.15031       0.9228178 22.66129       1.170370  21.31056       1.500382  1.570286       2.049491  
1 1 1 12 17 20 o 20.71070 2.076603  4.638867       0.8226894 4.732177       1.033455  4.477434       1.359320  1.018986       4.153206  
1 1 1 12 17 21 o 9.438316 2.580749  0.8165572      0.6836096 0.7366300      0.8846976 0.9349959      1.076947  -0.8827753     5.161498  
1 1 1 12 17 22 o 9.445738 2.649208  0.8032936      0.7544358 0.4386916      1.029426  1.226337       1.108863  -1.957808      5.298416  
1 1 1 12 18 0  o 161.0444 2.862229  259.7248       9.212419  259.7248       9.212419  259.7248       9.212419  0.000000       0.000000  
1 1 1 12 18 1  o 137.5853 1.246073  189.3494       3.428555  190.7676       4.885919  187.9736       4.812335  1.014572       2.492146  
1 1 1 12 18 2  o 133.8779 1.576841  175.2842       4.036712  192.9583       6.936175  166.2320       4.963963  9.954010       3.153683  
1 1 1 12 18 3  f 59.31549 0.8043895 35.18823       0.9534384 35.15931       1.321047  35.21968       1.377452  -0.5044937E-01 1.608779  
1 1 1 12 18 4  o 51.55700 0.8550864 26.68058       0.8774655 25.47449       1.288449  27.72379       1.198297  -2.182220      1.710173  
1 1 1 12 18 5  o 200.3608 1.807882  399.4204       6.947649  393.2605       8.641486  410.6808       11.68367  -4.277039      3.615765  
1 1 1 12 18 6  o 121.3724 1.170546  148.1591       2.763971  150.7902       3.538240  144.0399       4.427191  2.795853       2.341092  
1 1 1 12 18 7  o 223.5693 2.004683  498.9199       8.625109  493.9576       10.78890  507.7077       14.35743  -2.953384      4.009367  
1 1 1 12 18 8  o 156.9282 1.444336  247.9753       4.420755  253.1872       5.689042  240.0316       7.023534  4.231339       2.888671  
1 1 1 12 18 9  o 60.26109 0.9691110 36.28066       1.163504  35.70781       1.572195  36.97429       1.729987  -1.046978      1.938222  
1 1 1 12 18 10 o 190.9627 1.978263  367.9035       6.864033  370.9299       8.170706  360.6455       12.65341  2.929535       3.956525  
1 1 1 12 18 11 o 17.12877 2.001987  2.692451       0.6354012 2.155294       0.7589875 3.950924       1.161731  -5.416666      4.003974  
1 1 1 12 18 12 o 85.71581 0.9556572 71.60780       1.527160  68.42049       1.832119  78.86394       2.764358  -6.056213      1.911314  
1 1 1 12 18 13 o 65.06495 0.8867970 42.95292       1.102957  44.39229       1.383681  40.44452       1.826620  3.058914       1.773594  
1 1 1 12 18 14 o 77.06949 1.036064  59.73069       1.424175  59.92556       1.672884  59.21753       2.714620  0.5606613      2.072127  
1 1 1 12 18 15 o 14.54048 2.406410  2.111577       0.7861798 3.828398       1.140850  0.5589933      1.084910  9.762168       4.812819  
1 1 1 12 18 16 o 24.22084 1.479279  6.017883       0.6896446 6.273039       0.8756299 5.601027       1.119209  1.452103       2.958559  
1 1 1 12 18 17 o 41.56688 1.344538  17.45953       1.117310  16.85309       1.556173  18.10477       1.605196  -1.491055      2.689076  
1 1 1 12 18 18 o 9.216944 2.485066  0.5716418      0.6775172 1.099815       0.8992177 -0.1219296     1.030439  2.615987       4.970131  
1 1 1 12 18 19 o 20.01361 2.234149  4.436675       0.8369458 5.205461       1.115394  3.446071       1.266122  4.821957       4.468297  
1 1 1 12 18 20 o 8.922506 2.537866  0.5085515      0.6969444 0.1954589      0.9216211 0.9267482      1.065139  -2.080038      5.075732  
1 1 1 12 18 21 o 16.20791 2.340830  3.025958       0.7299516 2.755379       0.9746321 3.371630       1.101605  -1.622997      4.681661  
1 1 1 12 18 22 o 8.511202 2.631623  0.3316980      0.8371229 0.3067957      1.086159  0.3681325      1.313802  -0.6128054     5.263246  
1 1 1 12 19 0  o 12.54663 3.102107  2.146436       0.8722355 3.366983       1.191577  0.7374814      1.280245  0.000000       0.000000  
1 1 1 12 19 1  o 110.6024 1.505312  122.3986       3.329733  121.2056       4.691959  123.6090       4.726134  -1.086006      3.010624  
1 1 1 12 19 2  o 64.29338 1.205671  41.09402       1.545262  44.79764       2.300122  38.04736       2.086171  5.246975       2.411341  
1 1 1 12 19 3  o 77.32379 0.8545184 59.69811       1.320071  57.60630       1.816039  62.04167       1.922207  -2.867035      1.709037  
1 1 1 12 19 4  o 76.09486 0.9305418 58.30632       1.406706  62.98848       1.935866  53.06808       2.047599  6.519753       1.861084  
1 1 1 12 19 5  o 272.2987 2.338157  743.0463       12.73276  738.8124       17.88941  747.3933       18.12661  -1.567749      4.676314  
1 1 1 12 19 6  o 172.1976 1.571167  297.4711       5.247351  299.4314       6.664676  294.2741       8.511213  1.542969       3.142334  
1 1 1 12 19 7  o 104.7967 1.235395  109.3510       2.418968  108.3531       2.930547  111.4847       4.285141  -1.462975      2.470790  
1 1 1 12 19 8  o 49.78757 1.066549  23.70350       0.9147396 22.71155       1.043455  26.99658       1.901204  -4.281517      2.133099  
1 1 1 12 19 9  o 68.49335 1.087293  47.53024       1.376947  48.50667       1.665867  45.42438       2.446421  2.271057       2.174586  
1 1 1 12 19 10 o 101.3048 1.044368  102.5014       2.026304  101.9641       2.521801  103.4804       3.403924  -0.7212601     2.088736  
1 1 1 12 19 11 o 74.17529 0.9126263 54.77657       1.285355  54.16049       1.581417  55.97582       2.206385  -1.204277      1.825253  
1 1 1 12 19 12 f 65.94234 0.9100087 44.15834       1.145730  45.75714       1.436391  41.36195       1.899648  3.352242       1.820017  
1 1 1 12 19 13 o 61.78452 0.9361014 38.62028       1.117768  39.80719       1.421543  36.69784       1.809164  2.540447       1.872203  
1 1 1 12 19 14 o 57.30695 0.9278513 33.36147       1.035987  35.08429       1.342997  30.82980       1.628011  3.738972       1.855703  
1 1 1 12 19 15 o 39.61243 1.077426  15.75828       0.8476471 15.75583       1.133919  15.76139       1.276155  0.1292419E-01  2.154851  
1 1 1 12 19 16 o 19.13110 2.192776  3.654818       0.7218348 3.478667       0.8359147 4.171299       1.431352  -1.223225      4.385552  
1 1 1 12 19 17 o 16.75701 2.648078  3.059131       0.8639221 2.854799       1.274566  3.232796       1.175035  -1.176559      5.296157  
1 1 1 12 19 18 o 80.72749 0.9567012 65.57152       1.534032  64.78576       2.047233  66.57761       2.316541  -1.032173      1.913402  
1 1 1 12 19 19 o 29.59145 1.285966  8.862652       0.7471296 8.655578       0.9636580 9.174690       1.182942  -0.7697773     2.571931  
1 1 1 12 19 20 o 17.93863 2.095442  3.427568       0.7220339 2.670152       0.9442001 4.494249       1.120507  -5.090751      4.190883  
1 1 1 12 19 21 o 9.099140 2.581064  0.7142286      0.7147189 0.8539677      0.9175392 0.4986091      1.139750  0.3541164      5.162129  
1 1 1 12 19 22 o 8.544330 2.668361  0.3275999      0.8927617 0.6470872      1.092778  -0.3135811     1.548088  0.4792137      5.336722  
1 1 1 12 20 0  o 112.4184 1.873966  128.1640       3.985030  131.5322       4.938570  121.8778       6.746730  0.000000       0.000000  
1 1 1 12 20 1  o 111.8591 1.149003  125.6172       2.559382  119.4093       3.740907  131.0799       3.509218  -5.219597      2.298006  
1 1 1 12 20 2  o 106.3176 1.105284  113.1079       2.329983  112.8711       3.532737  113.2902       3.099747  -0.2027664     2.210568  
1 1 1 12 20 3  o 190.5357 1.801782  362.3326       6.768396  370.1127       10.54704  356.8851       8.825342  3.431259       3.603564  
1 1 1 12 20 4  o 140.2865 1.367458  197.2993       3.803728  199.7090       5.074860  194.2102       5.746009  1.972778       2.734917  
1 1 1 12 20 5  o 209.8951 1.970347  440.1337       8.154025  434.5117       10.63889  448.1382       12.69462  -3.184372      3.940694  
1 1 1 12 20 6  o 100.1649 1.162351  100.2366       2.112509  100.0137       2.505237  100.7852       3.929948  -0.3560715     2.324702  
1 1 1 12 20 7  o 99.20966 1.036248  98.99512       1.993265  100.6087       2.536815  96.39158       3.222412  2.140282       2.072495  
1 1 1 12 20 8  f 169.5793 1.739272  287.7516       5.890710  280.3417       8.081559  296.1512       8.604447  -4.638443      3.478544  
1 1 1 12 20 9  o 78.14337 0.9323110 59.89123       1.372458  57.63501       1.664948  64.67496       2.424337  -4.485756      1.864622  
1 1 1 12 20 10 o 129.4096 1.247106  168.0179       3.119411  168.9328       3.940623  166.4823       5.105124  0.9931641      2.494213  
1 1 1 12 20 11 o 63.25168 0.9101625 39.86125       1.085522  39.50513       1.326619  40.58282       1.888372  -0.8334122     1.820325  
1 1 1 12 20 12 o 45.93005 1.032327  20.98438       0.9164661 20.56987       1.150724  21.70333       1.515481  -1.212116      2.064654  
1 1 1 12 20 13 o 67.68627 1.063418  45.98537       1.333744  46.06950       1.608766  45.80045       2.385189  0.2654419      2.126835  
1 1 1 12 20 14 o 58.12779 0.9304807 33.63197       1.048105  32.91683       1.320614  34.84900       1.722793  -1.622707      1.860961  
1 1 1 12 20 15 o 12.74687 2.759477  1.633942       0.7151626 1.591208       0.8411275 1.745433       1.358616  -0.9528761     5.518953  
1 1 1 12 20 16 o 74.15417 0.9671495 55.45453       1.406245  56.09521       1.823595  54.51462       2.208761  1.145714       1.934299  
1 1 1 12 20 17 o 24.78202 1.815761  6.301707       0.8947363 6.196537       1.332309  6.388105       1.207565  -0.4459515     3.631523  
1 1 1 12 20 18 o 16.30954 2.699797  2.761208       0.7461717 2.606874       0.8418956 3.326468       1.611210  -1.389055      5.399593  
1 1 1 12 20 19 o 18.33184 2.057477  3.552040       0.7094815 3.470343       0.8902810 3.694219       1.174469  -0.7274437E-01 4.114954  
1 1 1 12 20 20 o 13.03363 2.568899  2.035113       0.7190151 2.501343       0.9476292 1.402511       1.103833  3.566505       5.137797  
1 1 1 12 20 21 o 17.07301 2.470716  3.453624       0.8145233 3.097962       1.117432  3.856840       1.189790  -2.044426      4.941433  
1 1 1 12 20 22 o 20.11149 3.731091  6.194962       1.444679  6.856428       2.653174  5.916190       1.722409  -1.710199      7.462183  
1 1 1 12 21 0  o 205.7026 2.534917  424.0089       10.42165  425.4740       14.76722  422.5552       14.70982  0.000000       0.000000  
1 1 1 12 21 1  o 131.5072 1.303627  173.1767       3.396086  173.9835       4.508291  172.1181       5.163740  0.7203369      2.607255  
1 1 1 12 21 2  o 97.45200 1.215830  93.04946       2.177736  100.0023       4.025000  90.17165       2.589495  5.020424       2.431661  
1 1 1 12 21 3  o 46.89448 0.9820361 21.23788       0.8890947 19.30371       1.100566  24.87169       1.508512  -5.930950      1.964072  
1 1 1 12 21 4  o 130.0604 1.292014  169.4485       3.332738  167.9420       5.038321  170.6205       4.443860  -1.041382      2.584028  
1 1 1 12 21 5  o 171.8673 1.641833  296.1595       5.600281  292.5938       8.432961  298.9728       7.490523  -1.882599      3.283666  
1 1 1 12 21 6  o 115.3248 1.259147  132.9949       2.902723  136.9065       4.187984  129.3784       4.026894  3.259903       2.518293  
1 1 1 12 21 7  o 106.7311 1.088625  114.2994       2.247205  115.1596       2.842825  112.8664       3.669005  1.096489       2.177250  
1 1 1 12 21 8  o 54.16234 0.9333017 28.57269       0.9281395 27.45745       1.100857  31.31412       1.725979  -3.545677      1.866603  
1 1 1 12 21 9  o 66.10252 0.9743872 44.11369       1.269389  46.30343       1.683593  41.22894       1.932388  3.845352       1.948774  
1 1 1 12 21 10 o 89.69814 1.045273  80.73808       1.848517  81.74483       2.426825  79.34670       2.852969  1.351730       2.090546  
1 1 1 12 21 11 o 102.9578 1.121900  106.6788       2.291774  110.8741       3.089810  101.5481       3.416940  4.544243       2.243799  
1 1 1 12 21 12 o 32.52336 1.184325  10.34904       0.7221458 9.900994       0.8710590 11.33387       1.291427  -2.170631      2.368649  
1 1 1 12 21 13 o 40.23277 1.029938  16.35469       0.7731708 16.57805       0.9410602 15.89076       1.356272  0.8938637      2.059876  
1 1 1 12 21 14 o 64.46239 1.078573  42.66663       1.265328  44.12257       1.518609  39.36074       2.288328  3.785000       2.157147  
1 1 1 12 21 15 o 23.14697 1.548423  5.380085       0.6847008 5.278334       0.8472089 5.571702       1.162619  -0.5457668     3.096847  
1 1 1 12 21 16 o 23.32776 1.619962  5.827498       0.7030082 6.554670       0.8845536 4.580568       1.158315  4.320515       3.239924  
1 1 1 12 21 17 o 40.01916 1.401372  16.26182       1.121258  15.91599       1.561138  16.63030       1.611457  -0.8721848     2.802745  
1 1 1 12 21 18 o 19.13017 2.048660  3.816370       0.7837322 3.736246       1.102270  3.898292       1.114562  -0.4144230     4.097321  
1 1 1 12 21 19 o 23.89042 1.677537  6.011075       0.7940888 6.788776       1.110021  5.195871       1.136469  3.359060       3.355074  
1 1 1 12 21 20 o 27.38359 1.494886  7.903779       0.8088790 8.152857       1.076321  7.580544       1.226116  1.217407       2.989773  
1 1 1 12 21 21 o 13.91767 3.002665  2.466306       0.8975027 2.944374       1.426469  2.153048       1.154698  1.848055       6.005329  
1 1 1 12 22 0  o 177.0136 2.209783  313.5129       7.810544  323.5616       11.34743  304.4660       10.76697  0.000000       0.000000  
1 1 1 12 22 1  o 127.7344 1.179479  163.0991       3.011109  159.3269       4.165249  167.2284       4.357988  -3.089653      2.358959  
1 1 1 12 22 2  o 175.6217 1.682757  307.4068       5.812805  301.3664       7.529558  316.3172       9.145027  -4.216370      3.365515  
1 1 1 12 22 3  o 96.37585 0.9702128 92.92511       1.870031  93.57590       2.639883  92.26964       2.649390  0.6778336      1.940426  
1 1 1 12 22 4  o 89.97861 1.025091  80.53831       1.805926  78.79685       2.315840  83.24059       2.884819  -2.459213      2.050183  
1 1 1 12 22 5  o 154.8099 1.491735  239.8255       4.566874  239.1082       6.019972  240.7981       7.009430  -0.5173798     2.983470  
1 1 1 12 22 6  o 76.02808 0.8617300 57.83443       1.310032  59.37615       1.856863  56.30658       1.848496  2.018539       1.723460  
1 1 1 12 22 7  o 58.11208 1.011526  33.62872       1.171509  31.92756       1.578474  35.71489       1.747993  -3.254341      2.023052  
1 1 1 12 22 8  o 50.70877 0.9747319 25.74039       0.9192629 25.75421       1.111790  25.71051       1.634392  0.5653000E-01  1.949464  
1 1 1 12 22 9  f 18.48984 2.121552  3.655900       0.6800349 3.879445       0.8115225 3.128790       1.246147  2.375210       4.243104  
1 1 1 12 22 10 o 56.38979 0.9507040 31.91740       1.012899  32.10506       1.244967  31.54998       1.742077  0.5087128      1.901408  
1 1 1 12 22 11 o 47.88392 0.9934244 23.04979       0.8882869 23.21073       1.079960  22.71318       1.561855  0.5435143      1.986849  
1 1 1 12 22 12 o 16.92122 2.154768  2.972071       0.6658781 3.026699       0.8130617 2.860798       1.160415  0.8600769      4.309535  
1 1 1 12 22 13 o 19.70854 2.043457  3.607166       0.7510579 3.104157       0.8892797 4.858612       1.402675  -4.342844      4.086914  
1 1 1 12 22 14 o 32.87751 1.190997  10.73013       0.7641277 10.27901       0.9698982 11.46834       1.240717  -1.767208      2.381994  
1 1 1 12 22 15 o 8.202043 2.295436  0.4021460      0.5605037 0.7046508      0.6523319 -0.4511727     1.095616  1.062492       4.590872  
1 1 1 12 22 16 o 54.82802 1.087079  29.87820       1.105675  29.21779       1.327604  31.37326       1.997526  -1.805870      2.174159  
1 1 1 12 22 17 o 14.44103 2.706986  2.348398       0.8591512 1.077823       1.293957  3.350191       1.148970  -6.408236      5.413972  
1 1 1 12 22 18 o 8.376915 2.371047  0.3610232      0.6381611 0.8140650      0.7960331 -0.4538417     1.067591  1.905987       4.742094  
1 1 1 12 22 19 o 23.79859 1.595708  5.782662       0.7506461 4.851731       0.9825457 7.087754       1.163361  -4.518528      3.191417  
1 1 1 12 22 20 o 13.47938 2.704652  2.148894       0.7653121 1.753613       1.025910  2.644873       1.149179  -2.663389      5.409304  
1 1 1 12 22 21 o 23.26070 1.744014  5.816931       0.7956541 4.447231       1.076866  7.463631       1.180745  -6.308077      3.488027  
1 1 1 12 23 0  o 238.1115 2.916632  568.5380       13.87997  566.8917       19.54446  570.2131       19.71513  0.000000       0.000000  
1 1 1 12 23 1  o 101.5994 1.170993  103.2756       2.378582  102.8348       3.316175  103.7427       3.413584  -0.4450302     2.341986  
1 1 1 12 23 2  o 99.79263 0.9959742 99.63247       1.987793  99.64544       2.804181  99.61935       2.818197  0.1329803E-01  1.991948  
1 1 1 12 23 3  o 111.3934 1.065819  124.1393       2.374177  123.1606       3.325116  125.1573       3.391042  -0.8949585     2.131638  
1 1 1 12 23 4  o 86.35699 1.112790  73.90638       1.806724  72.55883       2.196842  76.72272       3.175916  -2.389946      2.225581  
1 1 1 12 23 5  o 126.6819 1.448406  162.8167       3.496483  168.0195       4.368310  153.5402       5.832920  5.762329       2.896812  
1 1 1 12 23 6  o 192.2587 1.819161  370.9578       6.941810  366.7709       10.45170  374.2626       9.285799  -2.001770      3.638322  
1 1 1 12 23 7  o 123.3240 1.155492  152.2358       2.849737  152.1985       4.002853  152.2741       4.057987  -0.2899933E-01 2.310985  
1 1 1 12 23 8  o 103.1397 1.082937  105.7574       2.133264  104.0856       2.639371  108.9072       3.622804  -2.306145      2.165874  
1 1 1 12 23 9  o 36.63683 1.327412  13.30526       0.9038545 13.07337       1.087840  13.82225       1.624277  -0.9983940     2.654824  
1 1 1 12 23 10 o 69.34978 1.093482  48.06287       1.328406  47.96014       1.542230  48.35823       2.614947  -0.2415848     2.186965  
1 1 1 12 23 11 o 44.16842 1.214142  20.03838       0.9318870 20.55553       1.085358  18.58775       1.817789  2.281433       2.428283  
1 1 1 12 23 12 o 88.11139 1.196455  77.77267       2.108425  77.77267       2.108425  ?              ?         ?              ?         
1 1 1 12 23 13 o 51.64577 1.038735  26.26587       1.061961  23.36902       1.386399  30.37867       1.651938  -6.757111      2.077470  
1 1 1 12 23 14 o 45.81392 0.9482977 21.05551       0.8137439 21.03983       0.9902453 21.08811       1.428037  0.4566193E-02  1.896595  
1 1 1 12 23 15 o 9.730820 2.367146  0.8717078      0.5409680 0.7679294      0.6764166 1.055890       0.9011242 -1.444867      4.734292  
1 1 1 12 23 16 o 19.77979 1.791797  3.987711       0.6850863 3.957028       0.8635036 4.039833       1.125441  -0.9673691E-01 3.583594  
1 1 1 12 23 17 o 30.74525 1.448852  8.907216       0.8236374 7.879818       0.9705012 11.55231       1.557209  -5.711998      2.897703  
1 1 1 12 23 18 f 9.576116 2.596760  0.5537108      0.7111291 0.5357116E-01  0.9143692 1.319293       1.131285  -3.684896      5.193520  
1 1 1 12 23 19 o 22.56704 1.770141  5.435766       0.7782634 5.580249       1.004311  5.218585       1.231320  1.071941       3.540283  
1 1 1 12 23 20 o 25.04039 2.095775  6.955054       1.030583  7.057107       1.615355  6.885001       1.338345  -0.1766815     4.191550  
1 1 1 12 23 21 o 8.721567 2.740345  0.2236744      0.9713723 -0.1955437     1.432524  0.5804965      1.321624  -0.8853331     5.480689  
1 1 1 12 24 0  o 161.0762 2.037870  258.8904       6.538507  247.4359       8.823845  272.8388       9.737160  0.000000       0.000000  
1 1 1 12 24 1  o 166.5040 1.713631  277.6622       5.706440  277.9522       8.050100  277.3693       8.090300  0.1762848      3.427262  
1 1 1 12 24 2  o 88.60739 0.9374937 78.52802       1.660962  79.47116       2.380857  77.63380       2.318302  1.035683       1.874987  
1 1 1 12 24 3  o 133.3211 1.322504  178.3055       3.505333  181.6676       4.731758  174.2160       5.218485  2.807571       2.645007  
1 1 1 12 24 4  o 127.4434 1.289805  162.5115       3.244647  162.0748       4.255889  163.1175       5.013998  -0.3864517     2.579610  
1 1 1 12 24 5  o 174.7815 1.548059  305.8659       5.409360  301.1381       7.525662  310.9195       7.780690  -2.788193      3.096119  
1 1 1 12 24 6  o 31.12703 1.193617  9.706285       0.7367837 9.640810       1.115040  9.757027       0.9816068 -0.1907158     2.387234  
1 1 1 12 24 7  o 53.22076 0.9264572 28.24894       0.9768237 27.67846       1.289521  29.01703       1.496302  -1.252186      1.852914  
1 1 1 12 24 8  o 130.7324 1.462676  171.6030       3.437865  172.0655       4.057504  170.4261       6.472648  0.7386322      2.925353  
1 1 1 12 24 9  o 123.1957 1.214096  153.2639       2.912905  157.8879       3.748661  146.2167       4.627797  4.774513       2.428192  
1 1 1 12 24 10 o 106.3583 1.112898  112.2985       2.253864  110.0661       2.776302  116.6137       3.859985  -3.019356      2.225795  
1 1 1 12 24 11 o 103.4823 1.130744  107.7957       2.309110  110.3081       3.048075  104.4120       3.537446  2.885040       2.261489  
1 1 1 12 24 12 o 76.59448 1.162234  59.53900       1.676751  60.89452       2.064109  56.90898       2.875143  2.692101       2.324467  
1 1 1 12 24 13 o 48.14590 1.040649  23.32646       0.9940788 23.79694       1.332317  22.73561       1.493054  1.121723       2.081297  
1 1 1 12 24 14 o 30.41294 1.317286  8.803549       0.6832210 8.358593       0.7746218 10.36231       1.449842  -3.136278      2.634572  
1 1 1 12 24 15 o 10.87560 2.529576  1.017087       0.5649569 0.8184474      0.6476025 1.649751       1.155746  -3.486663      5.059152  
1 1 1 12 24 16 o 11.91334 2.460521  1.613655       0.6182910 1.880582       0.7224936 0.8832907      1.195110  2.712161       4.921043  
1 1 1 12 24 17 o 20.12242 2.134480  4.354643       0.8136234 3.225255       1.144385  5.509052       1.156993  -5.929043      4.268959  
1 1 1 12 24 18 o 9.709896 2.668990  0.3828656      0.7950221 -0.4414083     1.036311  1.561895       1.239415  -4.844966      5.337980  
1 1 1 12 24 19 o 52.08944 1.091921  27.75489       1.137205  28.46772       1.605909  27.03788       1.610603  1.375935       2.183842  
1 1 1 12 24 20 o 9.236230 2.713907  0.4364338      0.8391855 -0.1585791     1.095778  1.280401       1.305035  -3.199831      5.427814  
1 1 1 12 24 21 o 12.20847 3.121877  2.099289       1.137778  3.192143       1.443559  0.3069420      1.848692  5.355004       6.243753  
1 1 1 12 25 0  o 39.65163 2.027552  15.26906       1.405246  17.51966       2.805686  14.51543       1.623567  0.000000       0.000000  
1 1 1 12 25 1  o 134.0856 1.423893  179.8916       3.816811  183.7727       5.497526  176.2799       5.303285  2.788208       2.847786  
1 1 1 12 25 2  o 65.72588 0.9388337 43.14801       1.224361  42.64004       1.627613  43.81013       1.858229  -0.8852692     1.877667  
1 1 1 12 25 3  o 92.03485 1.055418  83.45981       1.889291  79.45926       2.381489  90.25296       3.103302  -5.845215      2.110835  
1 1 1 12 25 4  o 78.92691 0.9934127 61.31171       1.515913  58.53391       1.893968  66.26343       2.528714  -4.880760      1.986825  
1 1 1 12 25 5  o 49.56934 1.052050  24.13162       1.028414  22.02550       1.327129  27.29733       1.627072  -5.309624      2.104099  
1 1 1 12 25 6  o 180.7874 1.598253  327.3557       5.777392  333.0511       8.286170  321.9676       8.059477  3.055435       3.196506  
1 1 1 12 25 7  f 122.5443 1.157423  150.3328       2.836110  149.5859       3.965877  151.1146       4.057419  -0.6204071     2.314845  
1 1 1 12 25 8  o 122.9395 1.116845  150.9716       2.719444  148.8602       3.591873  153.8074       4.162709  -1.990280      2.233689  
1 1 1 12 25 9  o 60.16022 0.9874489 35.84725       1.112842  35.15412       1.348195  37.32926       1.971370  -1.782940      1.974898  
1 1 1 12 25 10 o 48.77177 1.091085  23.48721       1.040228  22.28165       1.322206  25.44546       1.685153  -3.218700      2.182170  
1 1 1 12 25 11 o 81.92892 1.122808  67.57816       1.649107  67.90847       1.943986  66.73032       3.114481  0.8231506      2.245616  
1 1 1 12 25 12 o 42.73948 1.242083  17.87769       0.9709896 17.22049       1.149155  19.51802       1.815510  -2.602036      2.484165  
1 1 1 12 25 13 o 20.35516 2.060206  3.803760       0.7225768 3.458120       0.8175826 5.037078       1.544393  -3.684248      4.120412  
1 1 1 12 25 14 o 10.16779 2.658395  0.7520065      0.6282976 0.6065106      0.7178360 1.228529       1.299097  -3.163767      5.316791  
1 1 1 12 25 15 o 36.69310 1.101767  13.30752       0.7426239 12.92872       0.8834385 14.21988       1.371049  -1.642593      2.203534  
1 1 1 12 25 16 o 20.24466 1.792491  3.983669       0.6474845 3.734747       0.7505287 4.708083       1.280352  -2.134731      3.584981  
1 1 1 12 25 17 o 29.03136 1.429565  8.578184       0.8175408 8.453867       1.064562  8.756903       1.276414  -0.4126053     2.859130  
1 1 1 12 25 18 o 19.86435 2.170184  4.242217       0.8608139 3.949968       1.183557  4.570428       1.254267  -1.471621      4.340369  
1 1 1 12 25 19 o 15.93414 2.623736  3.000456       0.8031065 2.976171       1.019903  3.040087       1.302900  0.3570147      5.247471  
1 1 1 12 25 20 o 11.00956 2.902106  1.432241       0.8903039 1.846481       1.125812  0.7407175      1.454599  2.226273       5.804212  
1 1 1 12 26 0  o 154.8800 2.779746  240.6559       8.590714  248.9625       12.47272  233.1588       11.84943  0.000000       0.000000  
1 1 1 12 26 1  o 125.5073 1.276379  157.6551       3.173645  158.0568       4.834458  157.3509       4.207081  0.2611008      2.552758  
1 1 1 12 26 2  o 116.7283 1.215057  135.6225       2.783708  132.5011       3.586294  140.3535       4.415236  -3.338127      2.430115  
1 1 1 12 26 3  o 80.95625 0.9816936 65.29262       1.570692  67.43353       2.431883  63.76032       2.057378  2.259422       1.963387  
1 1 1 12 26 4  o 50.88146 0.9081024 25.88828       0.9233909 24.48160       1.289686  27.36786       1.322683  -2.835499      1.816205  
1 1 1 12 26 5  o 141.8860 1.301605  201.3696       3.690776  196.4917       5.100202  206.7323       5.347680  -3.599960      2.603211  
1 1 1 12 26 6  o 43.55611 0.9481615 18.98164       0.8254908 18.10591       1.157770  19.88720       1.177316  -2.044262      1.896323  
1 1 1 12 26 7  o 112.9145 1.183879  127.1119       2.637506  130.9770       4.106804  124.3985       3.440913  2.886673       2.367757  
1 1 1 12 26 8  o 77.98105 0.9852514 61.04075       1.526402  59.31534       2.276563  62.44988       2.057359  -2.017822      1.970503  
1 1 1 12 26 9  o 58.71689 1.011496  32.99006       1.090431  30.86401       1.286966  38.40044       2.053025  -6.377659      2.022993  
1 1 1 12 26 10 o 61.09671 1.125872  36.25262       1.222239  34.96107       1.419401  39.95708       2.403884  -4.016937      2.251745  
1 1 1 12 26 11 o 26.77874 1.519005  7.638272       0.7424086 8.423203       0.9122702 6.099025       1.277503  4.390398       3.038011  
1 1 1 12 26 12 f 22.45311 1.957679  4.758840       0.7560923 4.459753       0.8587742 5.789977       1.594551  -2.805948      3.915358  
1 1 1 12 26 13 o 38.07018 1.122342  14.56512       0.8203267 14.54084       1.025194  14.60835       1.367720  -0.2882767E-01 2.244685  
1 1 1 12 26 14 o 53.54275 1.067519  28.14851       0.9830093 27.48412       1.125246  30.28945       2.019937  -2.419277      2.135038  
1 1 1 12 26 15 o 33.21110 1.173590  10.89777       0.7192103 10.53886       0.8578357 11.74698       1.319521  -1.689301      2.347179  
1 1 1 12 26 16 o 46.65202 1.124635  21.42210       0.9084857 20.87265       1.043123  23.14800       1.848735  -2.178921      2.249271  
1 1 1 12 26 17 o 51.25095 1.236542  26.81627       1.248807  26.13667       1.924590  27.31049       1.641223  -1.284718      2.473084  
1 1 1 12 26 18 o 40.79464 1.202455  17.27423       0.9645064 18.34162       1.279267  15.86826       1.468205  3.178329       2.404909  
1 1 1 12 26 19 o 40.49085 1.262116  16.99016       1.021909  17.18694       1.438068  16.78942       1.452435  0.5054283      2.524232  
1 1 1 12 26 20 o 41.15949 1.770351  18.45701       1.442731  18.74602       1.923873  18.08562       2.180867  1.247993       3.540703  
1 1 1 12 27 0  o 84.70326 1.321686  71.85262       2.234715  70.90498       3.089047  72.89312       3.236860  0.000000       0.000000  
1 1 1 12 27 1  o 59.18740 1.043896  34.98594       1.234426  33.19953       1.702026  36.96843       1.793010  -3.181488      2.087793  
1 1 1 12 27 2  f 39.13815 1.107595  15.33711       0.8655235 15.23126       1.258852  15.43200       1.191956  -0.2583351     2.215190  
1 1 1 12 27 3  f 127.3126 1.193630  162.1578       3.037946  159.1138       4.220970  165.4292       4.375821  -2.475433      2.387261  
1 1 1 12 27 4  o 136.0163 1.354005  185.7842       3.672751  175.7614       5.301869  195.0313       5.092560  -7.091522      2.708010  
1 1 1 12 27 5  o 92.10898 1.049209  84.79938       1.910898  85.72755       2.939207  84.11983       2.514957  0.8590927      2.098418  
1 1 1 12 27 6  o 67.77514 0.8966784 45.98458       1.215043  47.03727       1.711077  44.91385       1.725677  1.566956       1.793357  
1 1 1 12 27 7  o 33.93646 1.158960  11.53384       0.7864580 11.60695       1.103141  11.45826       1.121526  0.2198448      2.317920  
1 1 1 12 27 8  o 97.69275 1.006436  95.26552       1.961462  91.64454       2.662633  99.56220       2.900455  -4.041519      2.012872  
1 1 1 12 27 9  o 43.65680 1.151198  19.10339       0.9331159 19.09997       1.126822  19.11084       1.664533  0.2690125E-01  2.302395  
1 1 1 12 27 10 o 30.26872 1.689781  9.081000       0.8363339 8.977521       0.9399459 9.474273       1.832407  -0.6996880     3.379561  
1 1 1 12 27 11 o 49.67496 1.082206  24.78002       1.074339  25.66996       1.510729  23.86949       1.528109  1.814224       2.164412  
1 1 1 12 27 12 f 11.32107 2.588739  1.122899       0.6308322 0.8346637      0.7538115 1.796504       1.152369  -3.682409      5.177478  
1 1 1 12 27 13 o 50.70843 0.9816432 25.62601       0.9306249 25.24262       1.126742  26.44893       1.650765  -1.096527      1.963286  
1 1 1 12 27 14 o 27.22109 1.512800  6.973023       0.7288723 6.419300       0.8379094 8.694940       1.477601  -3.976803      3.025600  
1 1 1 12 27 15 o 19.54924 1.951520  4.219558       0.6651641 4.607769       0.8085052 3.406439       1.170108  3.527315       3.903040  
1 1 1 12 27 16 o 29.17249 1.502389  8.828590       0.8543904 9.298732       1.110674  8.147123       1.337194  2.100574       3.004777  
1 1 1 12 27 17 o 10.53758 2.710505  0.9803158      0.7324006 0.6813687      0.9382961 1.446488       1.171700  -2.518886      5.421011  
1 1 1 12 27 18 o 13.47779 2.765224  2.062771       0.7856943 1.618944       1.018851  2.713957       1.234117  -3.211351      5.530447  
1 1 1 12 27 19 o 15.46694 2.688825  2.951553       0.8346975 3.494620       1.172559  2.393635       1.188484  3.338564       5.377651  
1 1 1 12 27 20 o 11.70686 2.876234  1.552601       0.9938843 -0.2072597     1.429004  3.201552       1.383242  -6.961954      5.752468  
1 1 1 12 28 0  o 151.6776 2.765460  230.6224       8.382938  230.6224       8.382938  230.6224       8.382938  0.000000       0.000000  
1 1 1 12 28 1  f 70.42160 1.023678  49.54920       1.440581  47.29119       1.991275  52.02868       2.086649  -3.361031      2.047356  
1 1 1 12 28 2  o 53.60903 0.9392015 28.74357       1.006514  28.28318       1.397905  29.23917       1.450396  -0.8902588     1.878403  
1 1 1 12 28 3  o 125.0727 1.276304  156.9689       3.168831  153.8609       4.756431  159.4494       4.249159  -2.253029      2.552608  
1 1 1 12 28 4  o 25.93335 1.458320  6.781154       0.7433709 5.261562       1.035601  8.396418       1.067704  -6.042612      2.916640  
1 1 1 12 28 5  o 71.54120 0.9008411 51.22373       1.288866  51.71833       1.819225  50.72531       1.826258  0.6942368      1.801682  
1 1 1 12 28 6  o 10.59147 2.574719  1.026072       0.6612611 0.9513139      0.9553899 1.094818       0.9161715 -0.3544922     5.149439  
1 1 1 12 28 7  o 71.16290 0.9043850 50.63563       1.286467  48.84642       1.784949  52.56969       1.855798  -2.613327      1.808770  
1 1 1 12 28 8  o 27.21694 1.456692  7.398606       0.7841287 7.204741       1.028710  7.667446       1.211405  -0.8341179     2.913383  
1 1 1 12 28 9  o 85.53862 1.164637  72.78697       1.894716  71.53603       2.332367  75.21445       3.249051  -2.076904      2.329273  
1 1 1 12 28 10 f 72.34072 1.026040  52.39507       1.456895  52.02456       1.884147  52.94600       2.297523  -0.5955811     2.052080  
1 1 1 12 28 11 o 42.75651 1.061770  18.42611       0.8545693 18.58819       1.047426  18.10342       1.477911  0.6162262      2.123540  
1 1 1 12 28 12 o 36.73256 1.124493  13.89984       0.7810290 14.69531       0.9750739 12.47587       1.304604  3.074383       2.248986  
1 1 1 12 28 13 o 49.66287 1.019128  24.87325       0.9454790 24.98166       1.149422  24.64642       1.662629  0.4438782      2.038255  
1 1 1 12 28 14 o 14.58164 2.384849  2.230716       0.6414610 2.148464       0.7698253 2.417539       1.160199  -0.6671801     4.769697  
1 1 1 12 28 15 o 12.94110 2.782079  1.822013       0.7436946 1.937384       0.8679435 1.503356       1.442468  0.8711758      5.564157  
1 1 1 12 28 16 o 32.40486 1.274501  10.82818       0.7691597 11.11391       0.9387241 10.24448       1.341708  1.524107       2.549002  
1 1 1 12 28 17 o 50.90176 1.104368  26.46774       1.097159  26.61688       1.408993  26.23800       1.748688  0.5880699      2.208736  
1 1 1 12 28 18 o 14.09485 2.743281  2.401207       0.8029092 2.642474       1.091097  2.116254       1.185772  1.729882       5.486562  
1 1 1 12 28 19 o 8.337010 2.563471  0.6506143E-02  0.8174981 -0.6470540     1.091035  0.8431555      1.234433  -2.861865      5.126941  
1 1 1 12 28 20 o 12.75937 3.237172  2.322370       1.057946  2.963174       1.582855  1.804963       1.422311  2.510755       6.474344  
1 1 1 12 29 0  o 11.83225 3.510559  1.882083       0.9900354 3.131478       1.405255  0.6507791      1.395044  0.000000       0.000000  
1 1 1 12 29 1  o 42.44060 1.070510  18.04649       0.9040380 17.86135       1.344556  18.19924       1.221316  -0.4021034     2.141020  
1 1 1 12 29 2  o 74.41434 1.247147  55.39479       1.790532  55.66756       2.953807  55.23635       2.251310  0.2623520      2.494293  
1 1 1 12 29 3  o 113.6563 1.284052  129.1902       2.916121  125.2638       4.019926  133.5514       4.236639  -3.636803      2.568104  
1 1 1 12 29 4  o 78.08671 1.004719  61.15921       1.553684  61.95884       2.065192  60.11643       2.358361  1.189651       2.009439  
1 1 1 12 29 5  o 107.6154 1.153997  115.6625       2.452557  114.0896       3.212854  117.8589       3.796669  -1.727310      2.307995  
1 1 1 12 29 6  o 77.89729 0.9218743 60.68556       1.435583  62.86691       2.066311  58.65024       1.995958  2.703873       1.843749  
1 1 1 12 29 7  o 142.3221 1.317515  203.0996       3.749696  202.4587       5.255092  203.7644       5.351977  -0.4515839     2.635029  
1 1 1 12 29 8  o 133.8357 1.549060  181.1703       3.920183  183.8589       4.834624  176.0094       6.698351  3.118408       3.098121  
1 1 1 12 29 9  o 98.50650 1.020079  97.28310       2.009487  96.42014       2.817778  98.17617       2.866538  -0.8867722     2.040159  
1 1 1 12 29 10 o 53.41701 1.030579  28.49498       1.080831  27.96547       1.394883  29.29058       1.709798  -1.206280      2.061159  
1 1 1 12 29 11 o 21.79889 1.689868  4.783968       0.6753438 4.757597       0.8066756 4.845766       1.234844  -0.1105671     3.379736  
1 1 1 12 29 12 f 15.81876 2.315064  2.657678       0.6815543 2.734713       0.8343409 2.503175       1.181590  1.162144       4.630129  
1 1 1 12 29 13 o 28.66855 1.434507  8.099139       0.8079417 7.214016       1.031299  9.505594       1.300006  -3.915239      2.869015  
1 1 1 12 29 14 o 28.80058 1.469490  8.147064       0.8250080 7.257176       1.035895  9.690463       1.364228  -4.096493      2.938981  
1 1 1 12 29 15 o 42.61972 1.122087  18.61770       0.9346535 19.70684       1.221812  17.08125       1.451185  3.162052       2.244174  
1 1 1 12 29 16 o 37.26661 1.514538  13.81744       1.096951  12.56211       1.372670  16.03583       1.824757  -4.390759      3.029076  
1 1 1 12 29 17 o 49.92780 1.086189  26.21308       1.028759  28.19808       1.298023  22.85995       1.687051  5.613995       2.172378  
1 1 1 12 29 18 f 21.71751 2.278942  5.262176       0.9675630 5.272213       1.250088  5.247178       1.528075  0.5525246      4.557884  
1 1 1 12 29 19 o 14.66306 3.217679  2.891626       1.040817  2.904809       1.446524  2.877473       1.498740  0.1534176      6.435358  
1 1 1 12 30 0  o 23.29284 3.088145  5.591781       1.199675  5.088158       1.423363  6.827118       2.229236  0.000000       0.000000  
1 1 1 12 30 1  o 48.61034 1.076448  23.86133       1.033230  22.17923       1.558928  25.17912       1.379825  -3.092060      2.152896  
1 1 1 12 30 2  o 35.17358 1.203408  12.37579       0.8460783 11.99311       1.172653  12.79130       1.221939  -1.132629      2.406816  
1 1 1 12 30 3  o 156.9220 1.758090  245.6446       5.158682  250.7939       9.125810  243.2264       6.253737  2.238144       3.516180  
1 1 1 12 30 4  f 123.1157 1.281529  151.6360       3.112003  153.0302       4.828190  150.6451       4.070302  0.9328156      2.563057  
1 1 1 12 30 5  o 41.01097 1.163617  16.83782       0.9381212 16.89321       1.469778  16.79974       1.218641  0.1015549      2.327234  
1 1 1 12 30 6  o 19.09892 1.898883  3.671371       0.7229167 3.709097       0.9858849 3.627496       1.063205  0.2217121      3.797765  
1 1 1 12 30 7  o 61.42880 1.173998  37.39304       1.303897  36.82106       1.537877  38.85558       2.459130  -1.586849      2.347996  
1 1 1 12 30 8  o 36.10809 1.064043  13.10145       0.7662256 12.62053       1.113913  13.53338       1.055647  -1.269253      2.128086  
1 1 1 12 30 9  o 42.89332 1.100716  18.74619       0.9093682 17.35500       1.472412  19.60406       1.156238  -2.656792      2.201432  
1 1 1 12 30 10 o 39.15402 1.174916  15.41808       0.9103735 15.52828       1.205748  15.27195       1.388415  0.3521881      2.349831  
1 1 1 12 30 11 o 27.91555 1.622431  7.695589       0.8743109 7.210068       1.086792  8.586266       1.471982  -2.368578      3.244862  
1 1 1 12 30 12 f 10.62531 2.690836  0.8523765      0.7276312 0.3833998      0.9196463 1.637380       1.189820  -4.007825      5.381671  
1 1 1 12 30 13 o 23.35656 1.655641  5.476582       0.7186805 5.353889       0.8646491 5.750775       1.292589  -0.6929798     3.311282  
1 1 1 12 30 14 o 17.24673 2.454617  3.077544       0.7385691 2.966893       0.8564635 3.398520       1.458709  -0.4801769     4.909234  
1 1 1 12 30 15 o 7.974760 2.596983  -0.7792065     0.8829892 -0.9458792     1.068475  -0.4201994     1.568136  -2.452902      5.193965  
1 1 1 12 30 16 o 29.14330 1.423887  8.967423       0.7699282 9.467435       0.9454463 7.982959       1.326621  2.784803       2.847774  
1 1 1 12 30 17 o 47.29580 1.266553  22.29496       1.025262  21.61653       1.170592  24.52963       2.124520  -2.299221      2.533106  
1 1 1 12 30 18 o 8.107916 2.562558  -0.7030884E-01 0.8470539 -0.1054392     1.128829  -0.2503561E-01 1.281467  -0.5592608     5.125116  
1 1 1 12 30 19 o 13.58654 2.997927  2.484878       0.9957609 1.242684       1.424338  3.672390       1.392635  -6.077617      5.995854  
1 1 1 12 31 0  o 9.301052 3.736079  1.114608       1.051483  0.8457205      1.380888  1.485644       1.622113  0.000000       0.000000  
1 1 1 12 31 1  o 42.15651 1.215668  17.85711       1.019931  18.48924       1.390495  17.12092       1.500589  1.627724       2.431337  
1 1 1 12 31 2  o 20.02874 2.658726  4.442904       0.9389874 4.929716       1.130241  3.358323       1.687025  4.272335       5.317451  
1 1 1 12 31 3  o 57.03845 0.9399084 32.56681       1.072204  32.51391       1.519491  32.61927       1.513180  -0.9260178E-01 1.879817  
1 1 1 12 31 4  o 45.23358 1.023582  20.44860       0.9250317 21.72825       1.340657  19.28580       1.277977  2.696854       2.047163  
1 1 1 12 31 5  o 58.97739 0.9281850 34.76930       1.092567  33.91364       1.490384  35.76333       1.606372  -1.561916      1.856370  
1 1 1 12 31 6  o 75.51738 0.9890110 57.21932       1.479277  57.77934       1.965430  56.48756       2.246697  0.8733749      1.978022  
1 1 1 12 31 7  o 62.47447 0.9042110 39.10271       1.129779  39.41896       1.598620  38.78715       1.596877  0.5055275      1.808422  
1 1 1 12 31 8  o 29.82126 1.154151  8.932164       0.6875134 9.058758       0.9529037 8.794721       0.9929112 0.4472713      2.308303  
1 1 1 12 31 9  o 58.57523 0.8782036 34.39309       1.028744  34.68036       1.450303  34.10218       1.459468  0.4944000      1.756407  
1 1 1 12 31 10 o 42.40984 1.077689  18.71194       0.8729819 20.78918       1.122038  15.52590       1.389603  6.242107       2.155378  
1 1 1 12 31 11 o 33.90968 1.423690  12.14579       0.8334808 12.72957       0.9743394 10.55320       1.609298  3.365463       2.847381  
1 1 1 12 31 12 o 19.34684 1.931214  3.724917       0.7180806 3.480114       0.8870466 4.190346       1.223110  -1.699026      3.862429  
1 1 1 12 31 13 o 24.03358 1.885913  6.161955       0.7722862 6.406158       0.8960119 5.456328       1.523089  2.263683       3.771827  
1 1 1 12 31 14 o 45.19778 1.459335  21.06214       1.289101  22.26844       1.685157  19.36038       2.001521  3.351952       2.918670  
1 1 1 12 31 15 o 20.43428 2.027323  3.949906       0.7824894 3.151389       0.9367923 5.792885       1.423185  -6.067690      4.054646  
1 1 1 12 31 16 o 18.44300 2.606529  4.732568       0.8214315 5.607718       0.9515175 2.172222       1.627514  9.658004       5.213058  
1 1 1 12 31 17 o 18.49774 2.356454  4.639626       0.7602040 6.002748       0.9397051 2.057947       1.293229  11.01535       4.712907  
1 1 1 12 31 18 o 14.61442 2.889695  2.801641       0.8861440 3.109316       1.117480  2.280397       1.454502  2.897374       5.779390  
1 1 1 12 31 19 o 14.82083 3.086480  3.124884       0.9898227 2.668178       1.420613  3.555798       1.379915  -2.520542      6.172960  
1 1 1 12 32 0  o 47.22394 1.496480  22.53809       1.402110  23.61718       1.934420  21.34366       2.035181  0.000000       0.000000  
1 1 1 12 32 1  o 98.71619 1.135659  97.21585       2.213333  100.0031       3.437207  95.24137       2.892939  2.384323       2.271317  
1 1 1 12 32 2  o 82.19243 1.079428  67.95684       1.748986  69.50491       2.302181  65.84383       2.689653  2.247002       2.158855  
1 1 1 12 32 3  o 57.29386 1.018357  32.96498       1.156349  33.56029       1.543038  32.20240       1.746432  1.196175       2.036715  
1 1 1 12 32 4  o 57.22913 0.9848262 32.87164       1.120370  33.41614       1.510680  32.20608       1.670184  1.067089       1.969652  
1 1 1 12 32 5  o 66.42241 1.084799  43.63908       1.355265  42.56419       1.646288  45.89925       2.387227  -2.458458      2.169599  
1 1 1 12 32 6  o 89.03401 0.9758509 79.22964       1.735075  83.38245       2.540100  75.59707       2.375679  4.359253       1.951702  
1 1 1 12 32 7  o 60.98804 0.9546093 37.31976       1.159659  36.93700       1.714514  37.64253       1.574437  -0.5914536     1.909219  
1 1 1 12 32 8  o 38.31728 1.012104  14.72291       0.7751589 14.84228       1.117644  14.61227       1.076021  0.2956963      2.024207  
1 1 1 12 32 9  o 68.22465 0.8933164 46.67794       1.218869  47.29988       1.730963  46.06627       1.716609  0.9024353      1.786633  
1 1 1 12 32 10 o 31.20588 1.150473  9.802131       0.7175693 10.28077       1.021742  9.336291       1.007990  1.510485       2.300947  
1 1 1 12 32 11 o 22.26873 2.110345  5.400625       0.7702515 5.650776       0.8936052 4.677520       1.519302  2.750103       4.220690  
1 1 1 12 32 12 o 20.75950 1.935032  4.410868       0.7987561 4.394531       1.073029  4.431171       1.196207  -0.3439903E-01 3.870063  
1 1 1 12 32 13 o 35.06330 1.507205  12.28173       0.8901761 12.07935       1.011771  12.97516       1.872841  -0.9165878     3.014409  
1 1 1 12 32 14 o 27.21993 1.489238  7.505816       0.7698797 7.337062       0.9459840 7.836827       1.324891  -0.7075520     2.978475  
1 1 1 12 32 15 o 35.21474 1.558493  13.41452       0.9183013 14.07098       1.060090  11.44107       1.838023  4.177242       3.116986  
1 1 1 12 32 16 o 13.92992 2.299380  2.575630       0.7038794 3.525857       0.8552927 0.5814453      1.239036  8.744865       4.598759  
1 1 1 12 32 17 o 30.72166 1.402360  9.866471       0.8184111 9.864661       1.012575  9.869881       1.389864  0.4191704      2.804720  
1 1 1 12 32 18 o 10.53340 2.748824  1.279390       0.7846231 1.593708       0.9632524 0.6596236      1.352601  1.851274       5.497648  
1 1 1 12 33 0  o 11.51887 3.774987  1.803857       1.053996  0.8558237      1.431393  2.926675       1.557764  0.000000       0.000000  
1 1 1 12 33 1  o 86.88131 0.9998063 75.56135       1.736363  74.04841       2.408413  77.19894       2.505648  -1.807114      1.999613  
1 1 1 12 33 2  f 91.15857 1.111931  83.22124       1.991196  82.94301       2.581941  83.62960       3.127904  -0.3376770     2.223862  
1 1 1 12 33 3  o 50.79985 1.058746  25.80005       1.060117  25.51458       1.382738  26.20715       1.651196  -0.6631699     2.117492  
1 1 1 12 33 4  f 28.67924 1.428303  8.288011       0.8129383 8.528393       1.093481  7.990983       1.215515  0.9488583      2.856606  
1 1 1 12 33 5  o 62.95066 1.014994  39.58011       1.251392  39.01638       1.608446  40.44464       1.991877  -1.101097      2.029989  
1 1 1 12 33 6  o 86.41331 1.028592  74.74751       1.762026  75.96622       2.685335  73.82606       2.334996  1.202988       2.057183  
1 1 1 12 33 7  o 50.79434 0.9842339 25.96630       0.9928965 25.03174       1.479427  26.73225       1.339337  -1.688404      1.968468  
1 1 1 12 33 8  o 77.21112 0.9142445 59.78390       1.411670  60.92409       2.007305  58.66813       1.985676  1.458443       1.828489  
1 1 1 12 33 9  o 99.69496 1.033212  99.85498       2.060076  100.6563       2.914708  99.05510       2.912070  0.8026352      2.066423  
1 1 1 12 33 10 o 25.70414 1.286394  6.664538       0.6597108 6.059204       0.9211532 7.301967       0.9452577 -2.411509      2.572787  
1 1 1 12 33 11 o 9.500649 2.504845  0.3783064      0.7651795 1.487375       1.005129  -1.150374      1.180051  4.927994       5.009690  
1 1 1 12 33 12 o 36.75672 1.462388  13.78102       0.9147608 13.83073       1.049492  13.62381       1.866182  0.5865173      2.924776  
1 1 1 12 33 13 o 20.20723 1.972860  4.036218       0.7799363 3.213257       0.9939293 5.355013       1.258214  -5.145237      3.945719  
1 1 1 12 33 14 o 22.12774 1.776188  5.066959       0.7207175 5.069121       0.8635664 5.061998       1.308296  0.3161869      3.552377  
1 1 1 12 33 15 o 34.58301 1.560342  13.00372       0.9087355 13.57140       1.051250  11.32541       1.807539  3.891693       3.120684  
1 1 1 12 33 16 o 8.591185 2.550463  0.3287395      0.7111831 0.1765443      0.8830469 0.6096890      1.199768  -1.810013      5.100926  
1 1 1 12 33 17 o 9.648933 2.813564  0.6497028      0.7776023 0.4399345      0.8977699 1.279725       1.555869  -2.918330      5.627128  
1 1 1 12 33 18 o 9.261555 2.777372  0.6485126      0.8355817 0.4266510      1.007568  1.137170       1.495326  -2.103103      5.554745  
1 1 1 12 34 0  o 72.45345 1.351498  52.52466       1.947489  50.91702       2.621961  54.50303       2.908621  0.000000       0.000000  
1 1 1 12 34 1  o 124.9341 1.300729  156.5316       3.215743  156.1821       4.248042  157.0007       4.921391  -0.2684479     2.601458  
1 1 1 12 34 2  o 123.2782 1.294939  152.6137       3.161340  153.3612       4.193102  151.6291       4.812181  0.7601013      2.589878  
1 1 1 12 34 3  o 21.26886 1.833326  4.612305       0.7703336 5.235923       1.065023  3.928094       1.115566  3.082058       3.666652  
1 1 1 12 34 4  o 132.2991 1.368022  176.2380       3.586732  178.5495       4.778916  173.2564       5.427588  2.082840       2.736045  
1 1 1 12 34 5  o 13.84690 2.451178  2.082679       0.7101680 1.147861       1.054350  2.858988       0.9608128 -5.405593      4.902355  
1 1 1 12 34 6  o 67.99506 0.9710254 46.48455       1.313547  45.07472       1.943595  47.66990       1.782159  -1.924858      1.942051  
1 1 1 12 34 7  o 54.55108 0.9094280 29.84358       0.9922042 29.78310       1.401881  29.90429       1.404499  -0.1107941     1.818856  
1 1 1 12 34 8  o 40.79844 1.056762  16.80902       0.8525181 16.07894       1.291252  17.37317       1.135076  -1.609512      2.113525  
1 1 1 12 34 9  o 37.85480 1.131393  14.43660       0.8460959 14.34779       1.299954  14.50187       1.114468  -0.2417870     2.262786  
1 1 1 12 34 10 o 49.01393 0.9075924 24.13244       0.8894882 23.65686       1.241799  24.63354       1.274698  -0.9899826     1.815185  
1 1 1 12 34 11 o 59.18858 1.061244  35.17778       1.198654  34.90324       1.484813  35.69144       2.031018  -0.5306320     2.122489  
1 1 1 12 34 12 o 24.83206 2.024261  6.052347       0.8871642 5.715599       1.023530  7.069573       1.778921  -2.294956      4.048523  
1 1 1 12 34 13 o 23.16547 2.073721  5.803338       0.8540316 6.075084       1.016541  5.151319       1.574608  2.406691       4.147443  
1 1 1 12 34 14 o 12.17785 2.796453  1.409239       0.7923058 0.7958418      1.009090  2.395270       1.279394  -4.790165      5.592906  
1 1 1 12 34 15 o 11.08383 2.764245  1.316008       0.7302431 1.278748       0.8867857 1.394498       1.287096  -0.7027836     5.528489  
1 1 1 12 34 16 o 6.511785 2.146629  -0.8245199     0.7165046 -0.1552729     0.9000537 -1.982445      1.183901  1.080620       4.293258  
1 1 1 12 34 17 o 15.35936 2.595578  3.275507       0.8554459 4.201453       1.048414  1.431125       1.479672  8.320109       5.191155  
1 1 1 12 34 18 o 14.48648 3.032130  2.945874       0.9361082 2.994150       1.212338  2.874591       1.473168  0.9688559      6.064261  
1 1 1 12 35 0  o 8.938686 3.469150  0.8548462      1.009878  1.948883       1.406573  -0.3091063     1.450821  0.000000       0.000000  
1 1 1 12 35 1  o 68.06998 1.020656  46.32783       1.373906  47.34218       2.117413  45.59021       1.805616  1.257401       2.041312  
1 1 1 12 35 2  o 94.58441 1.197158  89.81814       2.264394  90.69575       3.189111  88.92582       3.215727  0.9386826      2.394315  
1 1 1 12 35 3  o 86.47116 1.193078  75.03825       1.969952  75.19044       3.324153  74.95586       2.445675  0.3220367E-01  2.386156  
1 1 1 12 35 4  o 42.79833 1.212513  18.24008       0.9900035 18.91554       1.687689  17.88571       1.222416  1.144562       2.425026  
1 1 1 12 35 5  o 77.23111 1.139979  59.09695       1.647079  62.08920       2.930477  57.71520       1.991385  2.718651       2.279957  
1 1 1 12 35 6  o 73.03727 0.9969485 53.50166       1.442761  53.76173       2.197404  53.30459       1.912815  0.2773743      1.993897  
1 1 1 12 35 7  o 17.39911 1.838395  3.072752       0.6376578 3.004577       0.9340757 3.132253       0.8726259 -0.3828201     3.676789  
1 1 1 12 35 8  o 42.98639 0.9650615 18.57066       0.8292924 18.67840       1.156940  18.45681       1.189324  0.2634659      1.930123  
1 1 1 12 35 9  o 46.10443 0.9390263 21.36159       0.8655973 21.72193       1.243052  21.02238       1.206065  0.7511635      1.878053  
1 1 1 12 35 10 o 53.76473 1.252291  29.45670       1.198727  29.78295       1.410035  28.60627       2.276540  1.329380       2.504583  
1 1 1 12 35 11 o 33.18558 1.328258  11.17403       0.8786600 11.22866       1.196830  11.11016       1.294086  0.2152939      2.656515  
1 1 1 12 35 12 o 21.43614 1.884301  4.626355       0.7935998 4.149890       1.013578  5.381194       1.275759  -2.711636      3.768601  
1 1 1 12 35 13 o 24.34325 1.981929  6.168111       0.8473526 6.147659       0.9874262 6.225247       1.650436  0.3460579      3.963859  
1 1 1 12 35 14 o 14.45195 2.802372  2.469895       0.8388411 2.734661       1.113163  2.121975       1.276050  1.970305       5.604743  
1 1 1 12 35 15 o 15.03885 2.534829  2.811648       0.7658057 3.344558       0.9425665 1.776692       1.313549  5.306647       5.069659  
1 1 1 12 35 16 o 21.01774 2.495673  5.463265       0.8821212 5.874430       1.046522  4.454201       1.639454  4.944521       4.991345  
1 1 1 12 35 17 o 11.00333 2.994612  1.403073       0.9153374 1.194285       1.179393  1.719332       1.451537  -1.344888      5.989223  
1 1 1 12 36 0  o 77.05426 1.361442  59.65548       2.094749  61.02389       2.961322  58.28504       2.963526  0.000000       0.000000  
1 1 1 12 36 1  o 31.06066 1.543739  9.707368       0.9495975 9.656137       1.256607  9.775572       1.449908  -0.1610813     3.087478  
1 1 1 12 36 2  o 57.74014 1.000216  33.32766       1.143229  34.19810       1.756456  32.68787       1.505860  1.281418       2.000432  
1 1 1 12 36 3  o 41.69145 1.062170  17.43991       0.8856272 17.35771       1.245391  17.52400       1.259663  -0.1978149     2.124340  
1 1 1 12 36 4  o 72.34724 1.009113  52.45103       1.446107  52.97956       2.208167  52.05413       1.913539  0.6052322      2.018226  
1 1 1 12 36 5  f 71.58610 0.9185096 51.39788       1.314933  50.96959       1.844723  51.84027       1.874834  -0.6045532     1.837019  
1 1 1 12 36 6  o 40.04616 1.014338  16.11117       0.8116342 17.00642       1.152661  15.23079       1.143048  2.215534       2.028677  
1 1 1 12 36 7  o 14.46045 2.332099  2.233184       0.6591952 2.207980       0.9606589 2.255612       0.9062079 -0.1844769     4.664197  
1 1 1 12 36 8  o 41.76594 1.055490  17.38145       0.8741170 16.27113       1.149603  18.90318       1.345837  -3.106377      2.110979  
1 1 1 12 36 9  o 20.48788 1.742587  4.262610       0.7039195 4.198058       0.9184220 4.354525       1.095918  -0.3148384     3.485174  
1 1 1 12 36 10 o 24.13624 1.623496  6.058774       0.7641433 6.632158       1.008061  5.284245       1.171610  2.861637       3.246992  
1 1 1 12 36 11 o 18.01160 1.927093  3.284344       0.6863407 3.719413       1.073509  2.983556       0.8926017 1.943586       3.854187  
1 1 1 12 36 12 o 10.79411 2.693221  1.015179       0.7342109 0.5313725      0.9542146 1.717284       1.149505  -3.623970      5.386442  
1 1 1 12 36 13 o 31.14587 1.485839  9.947421       0.8661106 9.949689       1.054772  9.942730       1.517539  0.2857246      2.971677  
1 1 1 12 36 14 o 14.76291 2.665722  2.474759       0.8268423 1.464403       1.106077  3.754544       1.244849  -6.642035      5.331444  
1 1 1 12 36 15 o 10.46161 2.585246  0.6733691      0.7185477 -0.2024740     0.8803576 2.421242       1.243658  -7.138302      5.170491  
1 1 1 12 36 16 o 15.09274 3.129759  2.982751       1.071010  1.799621       1.478855  4.287745       1.553150  -6.189546      6.259518  
1 1 1 12 36 17 o 12.49171 3.225477  2.292404       1.073077  2.614576       1.381270  1.801957       1.704238  1.986906       6.450954  
1 1 1 12 37 0  o 53.40753 1.338624  28.69040       1.425094  28.07372       1.974905  29.36037       2.058466  0.000000       0.000000  
1 1 1 12 37 1  f 42.63207 1.211420  18.28500       1.030195  17.93206       1.504274  18.59674       1.413765  -0.7923279     2.422840  
1 1 1 12 37 2  o 65.30862 1.056007  42.80686       1.379019  41.55070       1.935013  44.10332       1.965806  -1.950272      2.112013  
1 1 1 12 37 3  o 112.8916 1.215446  127.9292       2.716991  126.7067       3.589970  129.5682       4.156876  -1.178497      2.430892  
1 1 1 12 37 4  o 73.67793 1.062318  54.51741       1.565366  54.14041       2.211787  54.89575       2.215743  -0.5120316     2.124636  
1 1 1 12 37 5  o 14.74535 2.457556  2.258271       0.7121318 1.769120       0.9366174 2.928498       1.096355  -3.694494      4.915112  
1 1 1 12 37 6  o 12.68497 2.497573  1.705223       0.6632014 1.397773       0.9319614 2.020649       0.9439707 -2.111062      4.995146  
1 1 1 12 37 7  o 72.13597 0.9271163 52.27793       1.336729  51.49321       1.852433  53.13049       1.930845  -1.119194      1.854233  
1 1 1 12 37 8  o 16.86941 1.999927  2.966279       0.6540628 3.433928       0.9340277 2.516314       0.9161988 2.963507       3.999855  
1 1 1 12 37 9  o 40.06584 1.513021  17.28545       1.021271  18.25715       1.184005  14.46139       2.018479  5.033157       3.026042  
1 1 1 12 37 10 f 35.69140 1.119353  12.86745       0.7989758 12.87490       1.136405  12.86016       1.123550  0.1653671E-01  2.238706  
1 1 1 12 37 11 o 30.55976 1.254679  9.420053       0.7593222 10.02445       1.172197  8.983080       0.9967080 1.620594       2.509358  
1 1 1 12 37 12 o 12.56912 2.506955  1.799143       0.7325271 2.613496       0.9461650 0.5806842      1.157354  5.845664       5.013910  
1 1 1 12 37 13 o 12.56910 2.783852  1.737637       0.7333023 1.603033       0.8787383 2.046366       1.330818  -1.339245      5.567705  
1 1 1 12 37 14 o 30.60541 1.621573  9.929100       0.9805548 10.49008       1.315786  9.228435       1.470505  2.234741       3.243146  
1 1 1 12 37 15 f 10.07777 2.918651  0.4085323      0.9358274 -0.4257127     1.146826  2.071136       1.618993  -5.325730      5.837301  
1 1 1 12 37 16 o 10.11910 2.976057  0.9161090      0.9989672 1.190312       1.283804  0.4952703      1.590452  0.7629890      5.952113  
1 1 1 12 38 0  o 67.82411 1.349356  46.26591       1.825203  46.20760       2.522736  46.32996       2.643985  0.000000       0.000000  
1 1 1 12 38 1  o 71.28571 1.003122  51.19000       1.419861  49.41567       2.118784  52.63630       1.912930  -2.287025      2.006243  
1 1 1 12 38 2  o 54.63324 0.9378241 29.94034       1.024164  28.57020       1.431933  31.37531       1.465420  -2.562630      1.875648  
1 1 1 12 38 3  o 40.47328 1.153158  16.48520       0.9040710 16.48532       1.474512  16.48513       1.144422  -0.6374741E-01 2.306317  
1 1 1 12 38 4  f 15.77450 2.675244  2.751719       0.8013568 2.191677       1.473520  2.986920       0.9549171 -2.672218      5.350488  
1 1 1 12 38 5  o 19.72216 1.843826  3.995324       0.6665834 2.421090       0.8917875 5.988433       1.003442  -9.218044      3.687652  
1 1 1 12 38 6  o 40.01401 1.058562  16.08553       0.8455208 14.74471       1.168825  17.55742       1.224619  -3.501942      2.117124  
1 1 1 12 38 7  o 9.541586 2.512914  0.7209455      0.6538709 0.4112628      0.9383007 1.013318       0.9116994 -1.589532      5.025828  
1 1 1 12 38 8  o 10.03826 2.747980  0.7813259      0.7334395 0.9735962      0.8388067 0.1569948      1.511518  0.3261566E-02  5.495960  
1 1 1 12 38 9  o 38.43435 1.058165  14.90159       0.8131979 15.37154       1.160844  14.44874       1.139524  1.193996       2.116331  
1 1 1 12 38 10 o 29.74910 1.508951  9.158344       0.8424676 8.710476       1.449374  9.386877       1.035334  -1.348352      3.017902  
1 1 1 12 38 11 o 30.15285 1.381722  9.180672       0.8117256 9.733843       1.320749  8.844891       1.029008  1.317482       2.763444  
1 1 1 12 38 12 o 21.53409 1.905062  4.891609       0.7676125 4.915969       0.9372837 4.841989       1.337704  0.5539646      3.810123  
1 1 1 12 38 13 o 15.60133 2.691280  2.886056       0.8029213 2.960392       0.9838491 2.737816       1.389359  1.285880       5.382559  
1 1 1 12 38 14 o 9.174763 2.750745  0.2029566      0.9130910 -0.6041946     1.246433  1.137790       1.341401  -3.173302      5.501489  
1 1 1 12 38 15 o 26.36271 3.011523  9.913934       1.187703  11.14198       1.372063  6.243120       2.372185  12.02148       6.023046  
1 1 1 12 38 16 o 10.24089 3.178325  0.9921131      1.207401  1.251338       1.403851  0.2554341      2.366582  0.2375793      6.356650  
1 1 1 12 39 0  o 5.890182 2.820278  -0.5739713     0.9470121 -0.7137196E-01 1.366686  -1.038182      1.313455  0.000000       0.000000  
1 1 1 12 39 1  o 8.813750 2.580213  0.2565365      0.7365044 0.2116582      0.9769200 0.3156328      1.121038  -0.7311344     5.160427  
1 1 1 12 39 2  o 60.58176 0.9383512 36.87585       1.136618  37.21535       1.593096  36.52386       1.622139  0.5757027      1.876702  
1 1 1 12 39 3  o 67.03715 1.060719  45.31821       1.380912  45.65192       1.758230  44.78095       2.230911  0.7455750      2.121438  
1 1 1 12 39 4  o 16.13607 2.269834  2.721217       0.7173910 1.675596       0.9714793 3.975238       1.063895  -7.170900      4.539668  
1 1 1 12 39 5  o 37.43864 1.107677  14.12056       0.8293014 14.33583       1.171030  13.90399       1.174597  0.5775642      2.215355  
1 1 1 12 39 6  o 41.74179 1.041272  17.56556       0.8654714 17.80711       1.174942  17.27904       1.279677  0.6566772      2.082543  
1 1 1 12 39 7  o 29.64340 1.825314  9.204101       0.9174541 9.404760       1.056534  8.588893       1.849962  1.722549       3.650627  
1 1 1 12 39 8  o 23.51823 1.518390  5.638960       0.7135760 5.876909       1.005880  5.397895       1.012449  1.021259       3.036780  
1 1 1 12 39 9  o 24.64811 1.723767  6.192972       0.8260019 6.436425       1.345400  6.045695       1.046435  0.6280651      3.447535  
1 1 1 12 39 10 o 52.06971 0.9576396 27.36839       0.9972584 27.33789       1.405351  27.39932       1.415375  -0.5550003E-01 1.915279  
1 1 1 12 39 11 o 19.11749 1.831741  3.770504       0.6932173 4.569865       1.021334  3.087689       0.9439474 3.819935       3.663482  
1 1 1 12 39 12 o 30.06785 1.591234  9.772674       0.8919530 10.48163       1.107421  8.463408       1.504930  3.748484       3.182468  
1 1 1 12 39 13 o 48.00670 1.441014  24.37608       1.340301  25.48540       1.722950  22.67596       2.132963  3.366714       2.882027  
1 1 1 12 39 14 o 54.09223 1.649796  30.29976       1.784822  30.29976       1.784822  ?              ?         ?              ?         
1 1 1 12 39 15 o 10.98365 3.289657  0.9131668      1.153150  0.3423998      1.372116  2.285779       2.127822  -3.856140      6.579313  
1 1 1 12 40 0  o 30.77410 1.827720  9.792959       1.096402  9.971946       1.453967  9.557019       1.669342  0.000000       0.000000  
1 1 1 12 40 1  o 18.32587 1.968899  3.375326       0.6896924 2.545211       0.8988562 4.563723       1.075479  -5.658549      3.937798  
1 1 1 12 40 2  o 52.74755 0.9635681 27.97995       1.016342  28.67154       1.441722  27.29673       1.432969  1.301384       1.927136  
1 1 1 12 40 3  o 55.56409 1.210459  31.11660       1.230811  31.07750       1.469585  31.20847       2.252573  0.7740021E-01  2.420919  
1 1 1 12 40 4  o 33.17585 1.256023  11.05264       0.8281626 10.60946       1.102011  11.62769       1.255302  -1.492958      2.512047  
1 1 1 12 40 5  o 47.40494 1.160245  22.34676       1.049977  21.61998       1.293943  23.74793       1.796632  -2.110367      2.320490  
1 1 1 12 40 6  o 56.79686 1.213274  32.04422       1.246516  31.29659       1.468620  33.97054       2.357400  -2.071442      2.426548  
1 1 1 12 40 7  o 27.59682 1.331397  7.655000       0.7314879 8.607554       1.096455  6.891008       0.9819509 3.066284       2.662794  
1 1 1 12 40 8  o 40.66413 1.253057  16.80087       0.9808202 16.65096       1.619374  16.88773       1.232636  -0.4438133     2.506114  
1 1 1 12 40 9  o 58.89876 0.9921099 35.06729       1.165503  35.47098       1.595993  34.60601       1.706044  0.7734413      1.984220  
1 1 1 12 40 10 o 43.19595 1.194052  18.62287       1.014859  20.70369       1.615986  17.26772       1.304104  3.835373       2.388103  
1 1 1 12 40 11 o 50.37448 1.151825  26.00659       1.156317  25.11376       1.689899  26.79264       1.585635  -1.738327      2.303649  
1 1 1 12 40 12 o 31.26762 1.609466  10.45689       0.9686984 11.14313       1.242343  9.392576       1.547171  3.121771       3.218931  
1 1 1 12 40 13 o 12.08335 2.796984  1.818751       0.9003228 2.611116       1.090227  0.1196753      1.596471  5.297340       5.593968  
1 1 1 12 40 14 o 10.18828 3.047912  0.8454093      1.091480  1.362970       1.277857  -0.5508679     2.098879  1.402105       6.095825  
1 1 1 12 40 15 o 11.09646 3.096283  1.416932       1.034307  0.6125144      1.352614  2.549581       1.605022  -3.848501      6.192566  
1 1 1 12 41 0  o 5.780883 2.787999  -0.5960394     0.9516317 -0.3633696     1.279051  -0.8845325     1.424248  0.000000       0.000000  
1 1 1 12 41 1  o 47.48548 0.9984111 22.68688       0.9481682 22.50185       1.334261  22.87564       1.347664  -0.3906479     1.996822  
1 1 1 12 41 2  o 69.74803 0.9410902 48.89364       1.312162  48.06269       1.822341  49.78830       1.890913  -1.222527      1.882180  
1 1 1 12 41 3  o 91.97795 1.117882  84.98463       2.023691  83.57187       2.627545  87.04460       3.172812  -1.745735      2.235764  
1 1 1 12 41 4  o 53.29082 0.9756912 28.64539       1.038011  30.05238       1.451280  27.17176       1.485246  2.711185       1.951382  
1 1 1 12 41 5  o 30.56070 1.457675  9.506710       0.8605382 9.526952       1.086076  9.472568       1.410526  0.2228546      2.915349  
1 1 1 12 41 6  o 55.10533 1.011134  30.68923       1.107662  29.88700       1.647457  31.35106       1.496364  -1.371643      2.022268  
1 1 1 12 41 7  o 42.83820 1.134318  18.68272       0.9628549 17.68422       1.440262  19.48960       1.294704  -2.162731      2.268636  
1 1 1 12 41 8  o 35.59583 1.123179  12.69365       0.7952502 14.46578       1.198053  11.29781       1.063278  4.395565       2.246357  
1 1 1 12 41 9  o 35.93093 1.288303  13.13119       0.9158307 13.22127       1.403169  13.06433       1.208814  0.1226501      2.576606  
1 1 1 12 41 10 o 13.99846 2.377451  2.267463       0.7264398 1.003598       1.069442  3.350206       0.9898504 -7.486249      4.754903  
1 1 1 12 41 11 o 35.41370 1.492072  13.13655       1.005405  13.29937       1.250206  12.83848       1.691544  1.085476       2.984144  
1 1 1 12 41 12 o 30.93874 2.887681  10.87694       1.136466  10.73131       1.220031  11.83207       3.124503  2.372744       5.775362  
1 1 1 12 41 13 o 38.77904 1.633662  16.21296       1.195619  16.47420       1.478081  15.71848       2.033549  1.810081       3.267324  
1 1 1 12 41 14 o 24.33633 2.502432  7.272448       1.149155  8.652649       1.587411  5.752719       1.665717  6.487782       5.004863  
1 1 1 12 42 0  o 6.334704 3.128549  -0.7100037     1.056490  -0.4733373     1.162587  -1.831997      2.531350  0.000000       0.000000  
1 1 1 12 42 1  o 30.77730 1.503264  9.630453       0.9243245 9.572989       1.276202  9.693859       1.340556  -0.1706581     3.006527  
1 1 1 12 42 2  o 10.96596 2.654493  1.185846       0.7079824 1.429915       0.9739506 0.9123695      1.030956  1.428514       5.308985  
1 1 1 12 42 3  o 13.76295 2.352867  2.039723       0.6659067 1.210156       0.9222882 2.943139       0.9624647 -5.712539      4.705735  
1 1 1 12 42 4  o 17.04095 2.035523  3.052376       0.6759270 3.320006       0.9493296 2.777200       0.9626192 1.856968       4.071046  
1 1 1 12 42 5  o 46.53860 1.194336  21.63586       1.071439  22.94296       1.792064  20.90869       1.336650  2.028061       2.388671  
1 1 1 12 42 6  o 10.98697 2.823441  0.9601293      0.7732360 1.802903       1.356893  0.5548338      0.9409703 3.996568       5.646883  
1 1 1 12 42 7  o 19.42294 2.032348  3.823544       0.7733714 4.487923       1.256438  3.418288       0.9812912 2.548536       4.064696  
1 1 1 12 42 8  o 49.88836 0.9920254 25.15840       0.9893814 24.95346       1.416809  25.35346       1.382225  -0.4139938     1.984051  
1 1 1 12 42 9  o 53.43137 1.029404  29.03948       1.100006  28.68134       1.549685  29.40317       1.561670  -0.6683846     2.058809  
1 1 1 12 42 10 o 39.47395 1.218664  16.05178       0.9605025 16.73236       1.341508  15.33591       1.375855  1.797260       2.437328  
1 1 1 12 42 11 o 11.98487 3.182406  1.571868       0.9571629 1.493561       1.120392  1.783419       1.841538  -1.159535      6.364812  
1 1 1 12 42 12 o 10.31184 3.047838  0.5411375      1.008274  -0.1388085     1.224087  1.975932       1.778156  -4.516708      6.095676  
1 1 1 12 42 13 o 15.29597 3.116728  3.090117       1.005501  3.085991       1.408456  3.094406       1.435929  0.2654457E-01  6.233456  
1 1 1 12 42 14 o 9.082007 2.791948  0.5498589      0.9546449 0.2366261      1.383895  0.8342367      1.318613  -0.8459911     5.583897  
1 1 1 12 43 0  o 53.20645 1.406027  28.68489       1.486962  29.11570       2.033669  28.18999       2.179680  0.000000       0.000000  
1 1 1 12 43 1  o 22.11366 1.838472  5.012775       0.7960997 3.759013       1.087475  6.460593       1.168608  -6.066935      3.676943  
1 1 1 12 43 2  o 38.39342 1.365471  14.96485       1.037776  14.98656       1.374101  14.93602       1.583306  0.1467400      2.730941  
1 1 1 12 43 3  o 41.04123 1.142340  17.04876       0.9366415 16.44942       1.339413  17.62231       1.310289  -1.438927      2.284680  
1 1 1 12 43 4  o 8.494207 2.496010  0.1134716      0.7405092 -0.5850887     1.071479  0.7522084      1.024572  -2.464252      4.992019  
1 1 1 12 43 5  f 45.86192 1.062036  21.30099       0.9730301 20.37774       1.386414  22.19720       1.365958  -1.991558      2.124072  
1 1 1 12 43 6  o 35.81004 1.172619  13.02111       0.8397423 13.14777       1.183112  12.89251       1.192089  0.3605423      2.345237  
1 1 1 12 43 7  o 35.12102 1.185439  12.52314       0.8326111 12.49895       1.184259  12.54679       1.170835  -0.7422256E-01 2.370879  
1 1 1 12 43 8  o 24.22349 1.734115  6.199831       0.8332138 6.649142       1.138895  5.682390       1.222195  2.079035       3.468231  
1 1 1 12 43 9  o 29.08525 1.444383  8.783035       0.8393707 9.312587       1.215622  8.300502       1.160401  1.685566       2.888765  
1 1 1 12 43 10 o 40.75470 1.534755  17.80604       1.102609  18.26287       1.298351  16.62427       2.088232  2.893074       3.069510  
1 1 1 12 43 11 o 14.61174 3.030991  2.933491       1.111531  4.182286       1.398611  0.7924072      1.831336  7.788505       6.061981  
1 1 1 12 43 12 o 10.28525 3.005992  0.9194481      1.018991  0.4045365      1.410128  1.482173       1.474145  -2.031733      6.011984  
1 1 1 12 43 13 o 12.20087 3.177496  2.134587       1.029702  1.881672       1.533254  2.342372       1.389738  -1.131409      6.354992  
1 1 1 12 44 0  o 50.10654 2.162973  25.55637       2.158872  25.55637       2.158872  25.55637       2.158872  0.000000       0.000000  
1 1 1 12 44 1  o 37.51894 1.293067  14.32991       0.9653080 14.34439       1.301778  14.31223       1.438784  0.1097412      2.586133  
1 1 1 12 44 2  o 35.95263 1.292697  13.14903       0.9290714 13.73008       1.327219  12.59073       1.300985  1.571846       2.585395  
1 1 1 12 44 3  o 21.24928 1.853930  4.596304       0.7796807 5.636899       1.183164  3.797565       1.036588  4.230738       3.707860  
1 1 1 12 44 4  o 20.18414 2.126836  4.385942       0.8146502 5.468281       1.152270  3.304281       1.151909  5.622154       4.253672  
1 1 1 12 44 5  o 16.43797 2.253412  2.833504       0.7221568 2.267214       0.9515901 3.602554       1.108940  -4.179294      4.506823  
1 1 1 12 44 6  o 17.62181 2.148288  3.319008       0.7409922 3.522844       1.071935  3.132467       1.025453  1.329512       4.296577  
1 1 1 12 44 7  o 8.630055 2.502626  0.1083433      0.7578895 -0.8520854     1.061015  1.108908       1.082958  -3.818263      5.005253  
1 1 1 12 44 8  o 18.33522 2.126701  3.698036       0.7614467 3.483833       1.085041  3.905888       1.068838  -1.441652      4.253401  
1 1 1 12 44 9  o 32.57129 1.860303  11.38608       1.159059  11.37736       1.447331  11.40167       1.935318  0.6392059      3.720605  
1 1 1 12 44 10 o 16.53496 3.020805  3.273309       0.9325924 2.994486       1.099711  3.987308       1.759800  -1.323450      6.041610  
1 1 1 12 44 11 o 14.62185 3.258081  2.896756       1.064190  2.702075       1.484137  3.102778       1.526752  -0.9665489     6.516162  
1 1 1 12 44 12 o 11.50291 3.187452  1.750342       1.066666  1.680432       1.494429  1.822947       1.522961  -0.2903194     6.374905  
1 1 1 12 45 0  o 11.17711 3.755255  1.908283       1.044187  2.764584       1.461404  1.015162       1.492494  0.000000       0.000000  
1 1 1 12 45 1  o 40.34978 1.188048  16.48549       0.9509819 16.98092       1.448484  16.11016       1.260757  0.9894485      2.376096  
1 1 1 12 45 2  o 38.05215 1.149545  14.67610       0.8738281 15.71044       1.258807  13.71413       1.213971  2.602570       2.299090  
1 1 1 12 45 3  o 12.58079 2.846508  1.648188       0.7823783 2.045848       1.313968  1.429761       0.9738268 2.022076       5.693017  
1 1 1 12 45 4  o 15.22291 3.080161  2.654125       0.9920325 2.251878       1.391982  3.069299       1.414173  -2.245047      6.160322  
1 1 1 12 45 5  o 37.32510 1.304139  14.34223       0.9602820 14.12023       1.477556  14.50458       1.263514  -0.6727524     2.608277  
1 1 1 12 45 6  o 33.55962 1.340283  11.59896       0.8977954 12.00101       1.319843  11.25271       1.224823  1.034508       2.680566  
1 1 1 12 45 7  o 40.40186 1.181508  16.75486       0.9546057 16.48878       1.350119  17.02087       1.349913  -0.6586571     2.363015  
1 1 1 12 45 8  f 22.79082 2.805748  5.167667       0.9686405 4.626198       1.059356  7.929191       2.392377  -4.009699      5.611496  
1 1 1 12 45 9  f 10.30913 2.946835  1.014520       0.9061347 1.337893       1.008962  -0.3337874     2.060240  0.9687071      5.893669  
1 1 1 12 45 10 o 35.59089 2.227372  13.33634       1.464358  17.41790       2.760158  11.73750       1.727523  5.734844       4.454744  
1 1 1 12 45 11 o 15.99163 3.745728  3.647821       1.304956  4.991483       2.399725  3.083653       1.554965  2.460693       7.491456  
1 1 1 12 46 0  o 9.820042 3.736898  1.468053       1.040683  0.8725690      1.433694  2.131242       1.513003  0.000000       0.000000  
1 1 1 12 46 1  f 49.94750 1.119929  25.37052       1.116781  25.12052       1.531326  25.65456       1.632233  -0.4785347     2.239858  
1 1 1 12 46 2  o 43.33839 1.139457  19.11102       0.9862049 20.07584       1.443149  18.26568       1.350832  2.030788       2.278914  
1 1 1 12 46 3  o 8.344326 2.485927  0.1913922      0.7168083 0.6116292      1.058279  -0.1648348     0.9743534 1.843431       4.971854  
1 1 1 12 46 4  f 31.53874 1.624468  10.45701       0.9842349 10.59071       1.238389  10.22774       1.621714  0.9594936      3.248937  
1 1 1 12 46 5  o 16.18922 2.327631  2.981918       0.7266253 2.785527       1.050230  3.162250       1.006379  -1.248066      4.655262  
1 1 1 12 46 6  o 11.07839 2.781626  1.085418       0.8268085 0.2289618      1.088152  2.255301       1.271770  -5.219465      5.563251  
1 1 1 12 46 7  o 12.93558 2.942296  2.168741       0.9330899 2.714109       1.093661  0.7096926      1.788844  4.401367       5.884593  
1 1 1 12 46 8  o 13.35183 3.241170  2.230113       0.9987378 2.056002       1.212161  2.598171       1.762409  -1.065596      6.482340  
1 1 1 12 46 9  o 8.890373 2.825595  0.1001248E-01  1.051519  -0.1314973     1.558008  0.1283952      1.425019  -0.4303455E-01 5.651191  
1 1 1 12 46 10 o 20.21523 2.809390  5.127674       1.110489  7.389417       1.629556  3.166618       1.517375  10.13587       5.618780  
1 1 1 12 46 11 o 11.35285 3.334973  1.213546       1.266860  3.281633       2.074195  -0.1697243E-01 1.599961  5.189612       6.669945  
1 1 1 12 47 0  o 10.83840 3.949198  1.902582       1.127619  1.216942       1.527984  2.722559       1.670981  0.000000       0.000000  
1 1 1 12 47 1  o 20.85520 2.086556  4.737296       0.8250887 3.463112       1.127533  6.206119       1.210593  -6.712303      4.173112  
1 1 1 12 47 2  o 28.84559 1.442746  8.606660       0.8270680 10.04882       1.214256  7.358518       1.129626  4.580648       2.885493  
1 1 1 12 47 3  o 16.16427 2.386889  2.972877       0.7458566 3.081562       1.082596  2.874678       1.029042  0.5421295      4.773778  
1 1 1 12 47 4  o 8.378016 2.483727  -0.3745714     0.8692546 1.159528       1.101038  -2.912830      1.416261  4.465882       4.967453  
1 1 1 12 47 5  o 14.62596 2.712360  3.231155       0.9657837 4.036028       1.046305  -1.402528      2.510488  9.416030       5.424719  
1 1 1 12 47 6  o 25.14190 3.305724  8.451303       1.061391  8.675476       1.141459  7.019476       2.884782  7.364330       6.611448  
1 1 1 12 47 7  o 27.19115 3.001876  7.954883       1.156992  7.398907       1.254799  11.10994       2.989166  -1.903536      6.003752  
1 1 1 12 47 8  o 22.80311 3.342201  7.067976       1.309596  7.265866       1.519383  6.496115       2.582856  5.185497       6.684402  
1 1 1 12 47 9  o 32.54930 2.583375  12.72016       1.679491  13.57336       2.445211  11.95818       2.310801  2.106323       5.166751  
1 1 1 12 47 10 o 17.62263 3.334158  4.705988       1.206332  4.078749       2.048987  5.038743       1.492398  -4.160011      6.668317  
1 1 1 12 48 0  o 6.522658 3.225132  -0.7046316     1.239771  -0.3183003     1.382745  -2.288307      2.799595  0.000000       0.000000  
1 1 1 12 48 1  o 45.17352 1.331179  21.12836       1.201589  19.92517       1.670361  22.41871       1.729806  -2.702148      2.662357  
1 1 1 12 48 2  o 37.35728 1.342951  14.43410       0.9824349 14.18086       1.263027  14.82204       1.563241  -0.5516930     2.685902  
1 1 1 12 48 3  o 12.97828 2.808216  1.918256       0.8193534 1.225025       1.077371  2.869226       1.261855  -4.675498      5.616431  
1 1 1 12 48 4  o 9.492313 2.961918  0.1808552      1.056396  0.3415925E-01  1.317402  0.4450825      1.768065  -1.612702      5.923835  
1 1 1 12 48 5  o 35.51939 1.902559  13.88521       1.335011  14.66064       1.794153  12.92329       1.998281  2.795021       3.805118  
1 1 1 12 48 6  o 23.16964 3.029189  6.362400       1.346491  8.855062       2.199075  4.867378       1.703068  7.555380       6.058377  
1 1 1 12 48 7  o 32.87485 2.259865  12.01743       1.460976  15.49699       2.270303  9.558037       1.908692  8.222282       4.519730  
1 1 1 12 48 8  o 14.54421 4.820646  0.000000       0.000000  ?              ?         3.106559       1.635037  ?              ?         
1 1 1 12 48 9  o 13.99514 3.575123  2.926471       1.247736  4.126560       2.082468  2.254359       1.558448  3.128528       7.150246  
1 1 1 12 49 0  o 20.08578 4.389984  5.903423       1.472157  6.014134       1.738941  5.623342       2.765873  0.000000       0.000000  
1 1 1 12 49 1  o 19.16461 2.724888  4.437753       1.021221  3.828440       1.487070  4.981575       1.404881  -3.516115      5.449775  
1 1 1 12 49 2  o 37.36446 1.924560  15.66737       1.349396  16.67511       1.687069  13.87773       2.248227  4.686287       3.849121  
1 1 1 12 49 3  o 24.40346 2.534830  7.125581       1.165437  8.157315       1.568109  5.852465       1.741912  5.431479       5.069660  
1 1 1 12 49 4  o 28.53524 2.271617  9.268625       1.275230  9.369904       1.674077  9.128613       1.968343  1.043829       4.543235  
1 1 1 12 49 5  o 25.78313 2.633105  7.936623       1.354808  8.661886       1.967664  7.282843       1.868180  2.410913       5.266209  
1 1 1 12 49 6  o 13.10024 3.543058  2.343310       1.311311  1.874185       2.101370  2.642499       1.678150  -1.415661      7.086116  
1 1 1 12 49 7  o 26.34911 3.942996  8.910574       2.077889  8.910574       2.077889  ?              ?         ?              ?         
1 1 1 12 50 0  o 28.35532 4.650513  9.597741       2.454951  9.597741       2.454951  9.597741       2.454951  0.000000       0.000000  
1 1 1 12 50 1  o 24.35380 3.502373  8.216200       1.681715  11.02010       2.382750  5.433132       2.373883  11.40387       7.004745  
1 1 1 12 50 2  o 20.52619 3.547225  5.954430       1.372348  6.049659       1.601315  5.691019       2.663229  4.277786       7.094449  
1 1 1 12 50 3  o 13.01901 3.742786  2.235270       1.532705  2.742320       2.209271  1.764774       2.128148  1.533844       7.485572  
1 1 1 12 50 4  o 16.92666 3.914269  4.492240       1.659106  6.042811       2.269387  2.711978       2.431670  6.530128       7.828539  
1 1 1 12 50 5  o 14.39890 3.843987  2.931161       1.577220  1.122264       1.998864  5.915480       2.567432  -7.232059      7.687973  
1 1 1 12 50 6  o 16.70907 3.689800  5.094965       1.706510  6.903765       2.124179  1.802657       2.865800  9.684476       7.379600  
1 1 1 12 51 0  o 10.78641 6.319832  2.415799       2.245055  2.415799       2.245055  2.415799       2.245055  0.000000       0.000000  
1 1 1 12 51 1  o 11.45222 5.140836  0.000000       0.000000  ?              ?         1.270447       2.451462  ?              ?         
1 1 1 12 51 2  o 16.27115 6.149795  0.000000       0.000000  ?              ?         5.182765       2.739364  ?              ?         
1 1 1 12 51 3  o 31.41601 4.147042  0.000000       0.000000  ?              ?         13.00287       2.605670  ?              ?         
1 1 1 12 51 4  o 19.44904 6.281769  0.000000       0.000000  ?              ?         7.201143       2.779076  ?              ?         
1 1 1 13 0  1  o 276.8405 4.715607  768.3536       26.07102  759.2931       36.45055  777.8435       37.30424  0.000000       0.000000  
1 1 1 13 0  2  o 688.6817 10.14651  4780.562       132.0510  4739.010       226.5671  4801.938       162.5061  0.000000       0.000000  
1 1 1 13 0  3  o 453.3958 5.445297  2059.991       49.34562  2061.313       69.76142  2058.666       69.80910  0.000000       0.000000  
1 1 1 13 0  4  o 338.1598 4.063343  1144.320       27.44399  1119.210       37.95905  1171.820       39.72443  0.000000       0.000000  
1 1 1 13 0  5  o 244.0412 5.910993  597.1838       28.81295  597.1838       28.81295  597.1838       28.81295  0.000000       0.000000  
1 1 1 13 0  6  o 321.5625 5.488959  1035.652       35.19698  1002.035       48.13665  1074.275       51.59520  0.000000       0.000000  
1 1 1 13 0  7  o 121.3329 2.189444  147.5128       5.303944  145.2279       7.397397  149.9302       7.608893  0.000000       0.000000  
1 1 1 13 0  8  o 171.0308 2.985588  292.3349       10.16875  306.4082       15.09116  280.6313       13.76212  0.000000       0.000000  
1 1 1 13 0  9  o 73.09747 1.631896  53.30040       2.361535  56.01898       3.609365  51.26553       3.122681  0.000000       0.000000  
1 1 1 13 0  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13 0  11 o 155.6990 2.370117  245.1184       6.957682  237.0819       11.91791  249.2737       8.569658  0.000000       0.000000  
1 1 1 13 0  12 o 218.2611 3.060349  477.4508       13.35322  477.4508       13.35322  477.4508       13.35322  0.000000       0.000000  
1 1 1 13 0  13 o 11.45492 3.434121  1.947054       0.7169772 0.1915362      2.561380  2.096301       0.7468328 0.000000       0.000000  
1 1 1 13 0  14 o 5.271688 2.666172  -0.7046752     0.7637375 -4.174789      2.522398  -0.3544363     0.8013532 0.000000       0.000000  
1 1 1 13 0  15 o 37.48518 2.066311  13.76632       1.214715  15.34271       2.795598  13.39944       1.348684  0.000000       0.000000  
1 1 1 13 0  16 o 76.40505 1.780617  57.34570       2.574989  63.42167       4.502155  54.39185       3.139114  0.000000       0.000000  
1 1 1 13 0  17 o 5.580664 3.491938  0.2202613      0.7809447 0.2202613      0.7809447 0.2202613      0.7809447 0.000000       0.000000  
1 1 1 13 0  18 o 58.45746 1.727817  34.03654       1.344586  35.44873       3.772375  33.83102       1.439104  0.000000       0.000000  
1 1 1 13 0  19 o 54.33153 1.791297  27.53590       1.233551  33.42641       3.792494  26.83899       1.304483  0.000000       0.000000  
1 1 1 13 0  20 o 27.07727 4.353859  9.951555       1.401354  7.535821       3.473676  10.42114       1.531511  0.000000       0.000000  
1 1 1 13 0  21 o 20.66543 3.960186  4.890628       1.466883  4.890628       1.466883  4.890628       1.466883  0.000000       0.000000  
1 1 1 13 0  22 o 6.716944 3.174951  0.2350180      0.8675885 -1.816728      2.697293  0.4717872      0.9162815 0.000000       0.000000  
1 1 1 13 0  23 o 8.446581 3.506970  1.169138       0.9185058 -0.1631071     2.490521  1.378868       0.9881628 0.000000       0.000000  
1 1 1 13 1  0  o 345.9898 4.156539  1198.867       28.73898  1211.983       41.10021  1186.319       40.20082  0.000000       0.000000  
1 1 1 13 1  1  o 271.7045 3.264209  738.9531       17.73768  741.6199       25.17713  736.3251       24.99360  0.9723816      6.528417  
1 1 1 13 1  2  o 268.7787 2.282254  722.6526       12.26713  716.4149       17.19827  729.1132       17.50241  -2.360077      4.564507  
1 1 1 13 1  3  o 295.7468 2.717589  870.9500       15.80648  852.6095       20.46231  898.0865       24.88998  -7.653198      5.435178  
1 1 1 13 1  4  o 437.6709 3.711865  1917.429       32.48440  1942.013       46.52983  1894.053       45.37180  5.465271       7.423730  
1 1 1 13 1  5  o 357.4964 4.296385  1278.925       30.68597  1316.531       44.65895  1245.290       42.23541  9.923004       8.592770  
1 1 1 13 1  6  o 131.5183 1.653736  172.9926       4.349122  171.1096       6.080607  174.9648       6.223039  -1.464569      3.307472  
1 1 1 13 1  7  o 85.21159 1.192003  72.62452       2.031004  72.39975       2.840636  72.85960       2.904994  -0.2693100     2.384007  
1 1 1 13 1  8  o 114.7199 1.484981  131.6613       3.406536  130.7384       4.766179  132.6252       4.870660  -0.8209381     2.969962  
1 1 1 13 1  9  o 125.5749 1.604289  157.8028       4.028440  156.5172       5.634736  159.1469       5.761531  -1.044609      3.208579  
1 1 1 13 1  10 o 156.4144 1.946595  244.5172       6.079931  254.2327       8.906757  236.0399       8.319858  5.798279       3.893190  
1 1 1 13 1  11 f 115.5281 1.761270  131.5367       3.371430  137.5816       7.265412  129.8778       3.806020  3.217613       3.522540  
1 1 1 13 1  12 o 100.8307 1.070696  101.7473       2.159137  102.6226       3.063202  100.8831       3.043851  0.8620911      2.141392  
1 1 1 13 1  13 o 94.55431 1.070116  89.34943       2.020459  87.11083       2.766855  91.90691       2.957371  -2.529984      2.140232  
1 1 1 13 1  14 o 51.87525 0.8528837 26.75377       0.8725284 27.96102       1.364908  25.91950       1.134638  1.960602       1.705767  
1 1 1 13 1  15 o 47.54870 1.021070  22.59893       0.9693025 23.50186       1.422740  21.81680       1.324163  1.765480       2.042139  
1 1 1 13 1  16 o 38.33591 0.9672307 14.71596       0.7407237 15.75903       1.066402  13.74354       1.029647  2.625286       1.934461  
1 1 1 13 1  17 o 26.51485 1.137636  7.063241       0.6032705 6.996031       0.8506407 7.131252       0.8556884 -0.2542534     2.275271  
1 1 1 13 1  18 o 48.22083 0.8220950 23.31038       0.7921301 22.64477       1.092378  24.04850       1.150350  -1.446007      1.644190  
1 1 1 13 1  19 o 69.68162 0.8614136 48.80584       1.200447  49.41577       1.703611  48.20432       1.691828  0.8667603      1.722827  
1 1 1 13 1  20 o 32.91733 1.353202  11.12597       0.8819087 10.34142       1.314669  11.76788       1.189168  -2.229513      2.706403  
1 1 1 13 1  21 o 13.62222 2.670389  2.107342       0.7086174 2.134206       0.8362139 2.038908       1.334656  0.5337944      5.340777  
1 1 1 13 1  22 f 22.02821 1.482295  5.126830       0.6467965 5.695195       0.8948911 4.505175       0.9359033 2.747658       2.964590  
1 1 1 13 1  23 o 9.376820 2.409000  0.7203470      0.6477182 -0.8639623E-01 0.8755322 1.695687       0.9626811 -4.790712      4.818001  
1 1 1 13 2  0  o 548.2538 8.125464  2981.875       82.47514  3117.985       149.1584  2921.936       98.98322  0.000000       0.000000  
1 1 1 13 2  1  o 161.9100 1.710902  259.9826       5.165597  256.1337       6.238460  268.3767       9.212895  -3.764420      3.421805  
1 1 1 13 2  2  o 260.2977 2.212452  677.7969       11.51740  681.7811       16.38303  673.9037       16.19473  1.511871       4.424904  
1 1 1 13 2  3  o 352.4573 2.988995  1242.912       21.06622  1229.270       29.46382  1257.180       30.13167  -3.953400      5.977989  
1 1 1 13 2  4  o 279.5547 2.569348  781.3419       14.20013  786.2043       21.83118  777.7758       18.69550  1.481293       5.138695  
1 1 1 13 2  5  o 361.7461 4.345800  1309.596       31.40792  1348.420       45.70984  1274.872       43.22892  10.12268       8.691601  
1 1 1 13 2  6  o 244.4981 2.954762  598.4723       14.44858  597.5962       20.39140  599.3557       20.47563  -0.3586426     5.909523  
1 1 1 13 2  7  o 182.6115 2.232160  333.6968       8.150852  338.3334       11.66475  329.2729       11.39410  2.476700       4.464320  
1 1 1 13 2  8  o 106.0220 1.402634  112.3169       2.969793  109.9379       4.072995  115.0175       4.339504  -2.392151      2.805268  
1 1 1 13 2  9  o 53.25505 1.565099  28.37301       1.666988  28.37301       1.666988  ?              ?         ?              ?         
1 1 1 13 2  10 o 85.34242 1.108204  73.03494       1.849793  72.08302       2.931272  73.66489       2.384557  -0.9359512     2.216407  
1 1 1 13 2  11 o 89.76750 1.459130  81.94993       2.226886  78.26478       4.522900  83.12914       2.558483  -2.764397      2.918261  
1 1 1 13 2  12 o 109.1149 1.137318  119.1631       2.481896  120.1938       3.525724  118.1506       3.494348  0.9353638      2.274637  
1 1 1 13 2  13 o 78.92661 0.9613797 62.08273       1.514189  67.84506       2.220572  57.07484       2.070110  6.818542       1.922759  
1 1 1 13 2  14 o 74.23048 0.8909572 55.27372       1.316397  53.74041       1.944333  56.57141       1.788720  -1.911957      1.781914  
1 1 1 13 2  15 o 42.38912 0.8577283 18.07138       0.7238459 19.18076       0.9983749 16.84197       1.050996  2.761616       1.715457  
1 1 1 13 2  16 o 42.28820 0.8877023 18.07461       0.7441421 19.59414       1.016974  16.32341       1.091752  3.873623       1.775405  
1 1 1 13 2  17 o 20.13988 1.519381  4.098601       0.5895929 2.762748       0.8015340 5.673603       0.8703284 -7.213566      3.038762  
1 1 1 13 2  18 o 30.09624 1.031350  9.137274       0.6190106 9.565127       0.8573821 8.671436       0.8946319 1.492472       2.062699  
1 1 1 13 2  19 o 26.06090 1.176862  6.868977       0.6117656 7.025307       0.8409703 6.693264       0.8915806 0.6519527      2.353724  
1 1 1 13 2  20 o 50.09972 1.129776  25.37102       1.113663  25.82157       1.744894  25.06134       1.446622  0.6327286      2.259552  
1 1 1 13 2  21 o 8.835158 2.523967  0.5010751      0.6958562 0.8822499      0.7986860 -0.6999040     1.417692  1.232590       5.047934  
1 1 1 13 2  22 o 9.011221 2.431650  0.7522295      0.6094418 0.7225489      0.8344061 0.7861687      0.8922615 -0.3002596     4.863299  
1 1 1 13 2  23 o 14.45377 2.382944  2.469425       0.6752942 2.179517       0.9082024 2.827887       1.009891  -1.930359      4.765888  
1 1 1 13 3  0  o 231.8259 3.449790  532.1589       14.80915  555.0854       26.76542  522.0436       17.77839  0.000000       0.000000  
1 1 1 13 3  1  o 154.1989 1.439421  237.5206       4.386058  235.9184       5.764205  239.7240       6.759699  -1.229462      2.878842  
1 1 1 13 3  2  o 241.9420 2.231023  582.3744       10.60898  602.6865       16.75291  568.7753       13.70779  6.987686       4.462046  
1 1 1 13 3  3  o 374.5675 3.438447  1400.387       25.39626  1428.021       39.53716  1380.977       33.13620  6.214752       6.876894  
1 1 1 13 3  4  o 243.8130 2.147431  593.7584       10.11469  598.3611       16.64617  591.0643       12.73535  1.468582       4.294863  
1 1 1 13 3  5  o 270.3137 3.256099  730.2384       17.57816  707.8801       24.09386  755.6819       25.70258  -8.820648      6.512198  
1 1 1 13 3  6  o 74.45164 1.132640  55.44006       1.685580  55.44400       2.344644  55.43586       2.424924  0.5897522E-02  2.265280  
1 1 1 13 3  7  f 77.87963 1.036603  58.93458       1.501154  56.17814       1.795954  65.32512       2.734574  -5.865753      2.073205  
1 1 1 13 3  8  o 162.0090 1.730103  261.5526       5.250704  265.8663       9.248679  259.5010       6.378263  1.919510       3.460207  
1 1 1 13 3  9  o 248.4635 2.744864  622.1238       13.49107  595.9844       20.41242  642.3984       17.97725  -9.423035      5.489727  
1 1 1 13 3  10 o 97.32819 1.309730  94.49581       2.542941  98.85429       3.761779  90.82810       3.450831  4.116982       2.619461  
1 1 1 13 3  11 f 79.46465 1.042655  63.56063       1.612946  61.51203       2.575843  64.88202       2.068735  -2.131126      2.085310  
1 1 1 13 3  12 f 75.93283 0.9940591 57.90464       1.466329  58.58286       1.869589  56.82064       2.363620  1.172615       1.988118  
1 1 1 13 3  13 o 81.63417 0.8351562 66.66344       1.363343  68.18508       1.945571  65.19538       1.911012  1.830276       1.670312  
1 1 1 13 3  14 o 72.38832 0.9702992 52.53639       1.402282  54.34302       1.948413  50.59502       2.019764  2.591377       1.940598  
1 1 1 13 3  15 o 46.93838 0.8262849 22.09880       0.7729365 22.57190       1.056222  21.55333       1.134126  1.089180       1.652570  
1 1 1 13 3  16 o 59.85662 0.8497831 35.97066       1.004820  36.36411       1.325433  35.43895       1.540827  0.7907486      1.699566  
1 1 1 13 3  17 o 12.49985 2.062500  1.724203       0.5429283 2.433431       0.7171913 0.7721677      0.8309385 6.047760       4.125000  
1 1 1 13 3  18 o 18.28387 1.511179  3.295904       0.5448844 2.715033       0.7090093 4.133922       0.8516057 -3.835863      3.022358  
1 1 1 13 3  19 o 29.67285 1.191830  8.795013       0.6702399 8.588799       0.8209962 9.207071       1.160541  -0.9397736     2.383659  
1 1 1 13 3  20 o 20.10852 1.780108  4.197590       0.7125669 3.830435       1.022507  4.544250       0.9935596 -1.794294      3.560216  
1 1 1 13 3  21 o 20.75501 1.511806  4.439442       0.6229829 4.300542       0.8272434 4.621427       0.9468896 -0.6746063     3.023613  
1 1 1 13 3  22 o 12.88119 2.366635  1.940173       0.6178165 2.119712       0.8469753 1.736016       0.9031793 1.423021       4.733269  
1 1 1 13 3  23 o 13.10354 2.442262  2.121472       0.6604295 2.482020       0.8753972 1.645149       1.006176  3.004119       4.884525  
1 1 1 13 4  0  o 24.81010 1.127340  6.260664       0.5483231 5.183784       0.7681087 7.379698       0.7829977 0.000000       0.000000  
1 1 1 13 4  1  f 154.7088 1.444818  239.5808       4.428491  240.7905       5.881533  237.9973       6.729419  0.9064941      2.889635  
1 1 1 13 4  2  o 203.8417 1.882328  416.2266       7.610726  410.9449       11.48832  420.3575       10.16005  -2.316193      3.764657  
1 1 1 13 4  3  o 239.0122 2.102559  572.3027       9.751247  568.0839       15.81253  574.8916       12.38702  -1.445618      4.205117  
1 1 1 13 4  4  o 373.5762 3.424703  1399.281       25.39874  1379.508       38.17436  1414.986       34.02171  -4.797485      6.849406  
1 1 1 13 4  5  o 571.8093 6.878931  3285.765       78.62819  3351.484       113.4112  3224.938       109.1077  10.94196       13.75786  
1 1 1 13 4  6  o 231.5608 2.287433  536.5685       10.59313  534.7386       14.90112  538.4383       15.06208  -0.7971039     4.574866  
1 1 1 13 4  7  o 164.7595 1.648113  271.6095       5.430772  271.7233       7.661252  271.4946       7.699434  0.6987000E-01  3.296227  
1 1 1 13 4  8  o 56.42566 0.8945104 30.76283       0.9477748 28.87992       1.140901  34.95584       1.702539  -5.379295      1.789021  
1 1 1 13 4  9  o 66.70068 0.9416335 43.64393       1.160955  46.74212       2.122409  42.32114       1.386822  3.305313       1.883267  
1 1 1 13 4  10 o 200.9274 2.115695  407.5508       8.107341  394.3106       13.59536  414.8576       10.09961  -5.227676      4.231390  
1 1 1 13 4  11 o 151.7360 1.636098  231.2634       4.696359  228.5610       8.055767  232.6547       5.780235  -1.425919      3.272197  
1 1 1 13 4  12 f 88.96399 1.208016  78.83472       2.144030  85.56792       3.166236  73.13269       2.913714  6.981209       2.416032  
1 1 1 13 4  13 o 74.12938 0.8613527 54.50317       1.263934  58.24741       1.956656  51.82204       1.655738  4.325783       1.722705  
1 1 1 13 4  14 o 128.9991 1.368181  166.4214       3.526229  173.9565       5.130829  159.6765       4.854331  5.520630       2.736362  
1 1 1 13 4  15 f 85.47756 0.9872559 73.78398       1.664880  77.28047       2.212533  69.21992       2.527837  4.735153       1.974512  
1 1 1 13 4  16 o 8.701602 2.233017  0.6297483      0.5085775 0.8231124      0.6700070 0.3668749      0.7812043 1.120689       4.466034  
1 1 1 13 4  17 o 21.52495 1.376127  4.682049       0.5892961 5.226956       0.8328050 4.135606       0.8339775 2.535290       2.752253  
1 1 1 13 4  18 o 39.81517 0.8738331 15.92457       0.6890213 15.92459       0.9129108 15.92455       1.050321  0.2528000E-01  1.747666  
1 1 1 13 4  19 o 22.29571 1.514179  5.108495       0.6323180 5.214285       0.7744400 4.896935       1.095174  0.8355751      3.028358  
1 1 1 13 4  20 o 26.94653 1.556897  7.003615       0.7790014 6.326355       0.9236463 8.672416       1.449873  -4.043638      3.113794  
1 1 1 13 4  21 o 11.23971 2.382493  1.436406       0.5963374 1.760280       0.7727227 0.9594542      0.9377203 2.643308       4.764986  
1 1 1 13 4  22 o 11.61796 2.114144  1.374725       0.5455986 0.4991043      0.7107807 2.630692       0.8512692 -7.444609      4.228289  
1 1 1 13 4  23 o 25.39242 1.422732  6.778881       0.7196261 6.488530       0.9677123 7.138078       1.076343  -1.127766      2.845465  
1 1 1 13 5  0  o 210.4533 3.136236  439.0030       12.26233  456.3406       22.01026  431.1997       14.76620  0.000000       0.000000  
1 1 1 13 5  1  o 23.23547 1.121224  5.397739       0.5205711 5.721293       0.7436990 5.086916       0.7289208 1.365053       2.242447  
1 1 1 13 5  2  o 369.0274 3.237053  1364.448       23.16288  1357.065       37.64618  1368.946       29.38297  -1.687805      6.474107  
1 1 1 13 5  3  o 469.5992 4.696633  2223.228       40.23295  2175.822       73.64865  2243.392       48.03354  -7.557678      9.393267  
1 1 1 13 5  4  o 414.9341 3.633152  1732.233       29.42105  1685.641       46.73055  1762.829       37.86843  -9.416718      7.266304  
1 1 1 13 5  5  o 193.4446 2.358896  368.8132       9.021846  411.0405       14.10650  339.5866       11.73577  18.44482       4.717791  
1 1 1 13 5  6  o 212.4065 2.355351  449.3602       9.745635  460.9485       15.76688  442.1954       12.39756  4.374588       4.710702  
1 1 1 13 5  7  o 252.1272 2.791544  635.4402       13.73036  630.8655       17.54729  642.6643       22.05045  -2.244446      5.583088  
1 1 1 13 5  8  o 213.3426 2.116929  455.6891       9.032399  459.1936       12.82713  452.2424       12.72102  1.626923       4.233857  
1 1 1 13 5  9  o 47.03013 0.9692041 21.88617       0.8794005 23.02127       1.466400  21.24868       1.098942  1.879871       1.938408  
1 1 1 13 5  10 o 73.86380 0.9838229 53.34200       1.353342  57.95724       2.447748  51.31001       1.624168  4.486664       1.967646  
1 1 1 13 5  11 o 109.8148 1.330989  119.7158       2.847050  125.0890       4.625713  116.4390       3.612321  3.909134       2.661978  
1 1 1 13 5  12 f 157.5704 1.588185  248.7243       5.004689  247.9218       7.032702  249.5475       7.123570  -0.5122070     3.176369  
1 1 1 13 5  13 o 86.62064 0.9441296 75.28322       1.603609  76.08587       2.078725  74.10345       2.520195  1.157478       1.888259  
1 1 1 13 5  14 o 137.6500 1.347756  189.8220       3.687021  190.1240       5.535202  189.5810       4.943325  0.1663666      2.695512  
1 1 1 13 5  15 o 86.03970 1.183923  73.78934       1.808508  73.28983       2.113195  75.15662       3.496195  -0.9808273     2.367846  
1 1 1 13 5  16 o 32.02055 0.9854925 10.44549       0.6201580 11.48707       0.8318711 9.142413       0.9304581 3.670891       1.970985  
1 1 1 13 5  17 o 62.40894 0.9337634 38.71142       1.137609  40.71158       1.839470  37.47259       1.447655  2.547100       1.867527  
1 1 1 13 5  18 o 38.18307 0.8962871 14.83119       0.6753699 16.20404       0.9132265 13.17399       1.003358  3.984962       1.792574  
1 1 1 13 5  19 o 24.09157 1.198861  5.942094       0.5652035 6.286073       0.7405025 5.462009       0.8748206 1.753002       2.397722  
1 1 1 13 5  20 o 16.97778 2.284569  3.283115       0.6509107 3.482409       0.7550263 2.706278       1.284526  2.961681       4.569138  
1 1 1 13 5  21 o 18.58917 1.853804  3.890692       0.6265478 4.978520       0.8468962 2.575392       0.9312420 6.782887       3.707608  
1 1 1 13 5  22 o 23.47820 1.271255  5.773244       0.5833677 6.063470       0.7617640 5.361649       0.9071676 1.637224       2.542510  
1 1 1 13 5  23 o 15.72076 2.261076  2.885831       0.6838445 2.846280       0.9176177 2.935236       1.025565  -0.8575439E-02 4.522153  
1 1 1 13 6  0  o 363.0378 5.384966  1300.380       36.01694  1375.126       65.90277  1268.547       43.00796  0.000000       0.000000  
1 1 1 13 6  1  o 298.7504 2.740868  895.1601       16.27968  872.7280       24.21615  913.6580       21.99034  -6.868103      5.481736  
1 1 1 13 6  2  o 187.5167 1.669722  348.6110       5.992851  362.2684       10.15103  341.3042       7.424854  5.576492       3.339443  
1 1 1 13 6  3  o 191.3850 1.700421  366.2865       6.299563  366.7491       10.30020  366.0100       7.962335  0.1803284      3.400842  
1 1 1 13 6  4  o 478.6653 4.811073  2294.101       41.52522  2303.422       78.01061  2290.415       49.05204  0.8415527      9.622146  
1 1 1 13 6  5  o 129.3335 1.176154  168.5683       2.980059  160.6971       4.654559  174.0361       3.879423  -5.160820      2.352308  
1 1 1 13 6  6  o 250.2043 3.021039  626.5040       15.10982  615.2869       20.96962  638.6171       21.79107  -4.648788      6.042078  
1 1 1 13 6  7  f 295.2812 2.908768  872.6661       17.16450  895.4155       24.87980  852.0044       23.71090  7.323669       5.817536  
1 1 1 13 6  8  o 259.0928 2.560027  672.4111       13.26306  665.9878       18.54003  679.1440       18.98137  -2.527496      5.120053  
1 1 1 13 6  9  o 222.1705 2.205412  494.0881       9.791668  484.3948       13.52905  504.7512       14.18958  -4.561462      4.410824  
1 1 1 13 6  10 o 176.7214 1.989060  314.1241       6.945737  304.5453       10.59271  321.3488       9.199484  -4.800568      3.978121  
1 1 1 13 6  11 o 112.8841 1.068076  127.1473       2.340565  129.0718       3.812071  125.9828       2.965311  1.347610       2.136152  
1 1 1 13 6  12 o 132.7659 1.459218  173.7650       3.607462  184.1012       6.489522  169.1426       4.339775  5.553818       2.918437  
1 1 1 13 6  13 o 26.62568 1.175434  7.036508       0.6223799 7.670146       0.9435623 6.548503       0.8280611 2.101923       2.350868  
1 1 1 13 6  14 o 227.0852 2.305408  529.4777       9.809790  487.1586       16.80697  551.3441       12.08120  -14.55968      4.610815  
1 1 1 13 6  15 o 15.00596 3.061601  2.221338       0.8604705 2.143360       0.9799344 2.483938       1.798283  -1.456418      6.123201  
1 1 1 13 6  16 o 16.40248 1.613627  2.661430       0.5132169 2.520274       0.6432548 2.908657       0.8512974 -1.149364      3.227254  
1 1 1 13 6  17 o 24.27547 1.195872  5.979930       0.5739437 6.385966       0.7728456 5.480627       0.8570235 1.878084       2.391745  
1 1 1 13 6  18 o 58.42697 0.9290704 34.24882       1.035350  34.09059       1.282640  34.54471       1.754014  -0.2950554     1.858141  
1 1 1 13 6  19 o 29.85649 1.040278  9.093148       0.6092020 9.600518       0.8012127 8.397841       0.9379353 2.053112       2.080555  
1 1 1 13 6  20 o 27.92807 1.274121  8.119436       0.6940747 9.325725       0.9355375 6.642612       1.035143  4.848967       2.548242  
1 1 1 13 6  21 o 13.96407 2.166971  2.205132       0.5924100 2.490850       0.7715440 1.794733       0.9246856 2.837208       4.333942  
1 1 1 13 6  22 o 8.105125 2.221701  0.5556427      0.5175963 0.7392847      0.6394832 0.2067963      0.8813740 0.8100309      4.443401  
1 1 1 13 6  23 o 24.96925 2.111811  0.000000       0.000000  ?              ?         6.631572       1.054607  ?              ?         
1 1 1 13 7  0  o 247.0670 3.702524  592.9952       16.54855  655.2971       31.56680  569.3840       19.43296  0.000000       0.000000  
1 1 1 13 7  1  o 150.9594 1.421103  227.7124       4.241817  226.5200       5.585992  229.3364       6.519224  -0.9289093     2.842206  
1 1 1 13 7  2  o 223.0294 2.205903  497.6306       9.839595  498.8549       13.93647  496.4137       13.89421  0.5469818      4.411806  
1 1 1 13 7  3  o 156.7828 1.409650  245.7962       4.278998  246.0948       6.992927  245.6175       5.410069  0.1445618      2.819300  
1 1 1 13 7  4  o 137.8547 1.404628  189.3458       3.861961  199.6492       5.726408  180.7496       5.230497  6.852066       2.809257  
1 1 1 13 7  5  o 160.6277 1.664561  254.6147       4.745800  265.6726       9.235213  250.6468       5.532128  4.649933       3.329122  
1 1 1 13 7  6  o 184.6506 2.630943  334.3625       8.162728  354.3100       17.30375  328.6530       9.257502  6.825256       5.261886  
1 1 1 13 7  7  o 225.5190 2.499280  509.7362       11.06668  507.2233       17.36976  511.4533       14.35810  -1.000229      4.998560  
1 1 1 13 7  8  o 190.4479 2.138583  361.6387       7.946312  370.2351       12.79478  356.2409       10.13866  3.613876       4.277167  
1 1 1 13 7  9  o 251.7301 2.790212  635.2879       13.76148  637.3891       21.78360  633.8925       17.75254  0.5374146      5.580423  
1 1 1 13 7  10 o 64.50133 0.9255363 40.19263       1.057413  44.70429       2.094902  38.65017       1.224903  4.679115       1.851073  
1 1 1 13 7  11 o 73.70551 0.8187735 53.75071       1.174108  56.87848       1.918912  51.87905       1.484400  3.382912       1.637547  
1 1 1 13 7  12 o 70.95587 0.8768548 50.38605       1.244060  49.80575       1.772496  50.94948       1.746524  -0.8065338     1.753710  
1 1 1 13 7  13 o 71.13377 0.8532085 49.89879       1.178726  53.64208       1.941587  47.71387       1.483365  4.154121       1.706417  
1 1 1 13 7  14 o 46.00062 1.118546  19.86478       0.9822952 25.74975       1.733032  17.07918       1.192322  9.398720       2.237091  
1 1 1 13 7  15 o 14.24815 3.215822  1.799371       0.9724416 1.379338       1.160189  2.791393       1.782984  -4.400961      6.431643  
1 1 1 13 7  16 o 12.35706 2.446846  1.597849       0.6262982 1.582710       0.9404734 1.609913       0.8395351 -0.3533554E-01 4.893692  
1 1 1 13 7  17 f 77.50119 1.064049  61.23153       1.559806  57.49348       2.638748  63.23918       1.933835  -3.810089      2.128099  
1 1 1 13 7  18 o 10.06995 2.199817  1.083305       0.4955017 1.312322       0.6017458 0.6009711      0.8732798 2.086636       4.399634  
1 1 1 13 7  19 o 7.298375 2.231275  0.2174945E-01  0.5411424 0.7623891E-01  0.6316417 -0.1285897     1.049182  -1.340117      4.462550  
1 1 1 13 7  20 o 25.59039 1.345498  6.796344       0.6651142 7.237354       0.8551167 6.120928       1.058247  2.277737       2.690995  
1 1 1 13 7  21 o 23.63378 1.374301  5.894664       0.6337438 6.754797       0.8550224 4.846021       0.9440787 4.110367       2.748601  
1 1 1 13 7  22 o 20.48392 1.506613  4.553861       0.5932099 5.206878       0.7814564 3.665852       0.9112783 3.912069       3.013226  
1 1 1 13 7  23 o 9.214804 2.643211  0.6090206      0.7619330 1.364303       1.212761  0.1164906      0.9793473 3.113233       5.286422  
1 1 1 13 8  0  o 140.1205 2.011081  196.8471       4.883182  196.1468       9.731172  197.0828       5.645435  0.000000       0.000000  
1 1 1 13 8  1  o 72.68868 1.101195  52.77976       1.599751  54.47353       2.316470  51.23542       2.211929  2.227020       2.202390  
1 1 1 13 8  2  o 418.6420 3.551784  1754.368       29.73426  1772.302       42.48535  1737.149       41.62891  4.188385       7.103567  
1 1 1 13 8  3  o 56.04200 0.8538321 30.90868       0.9488995 26.35086       1.258580  36.91193       1.444427  -9.421875      1.707664  
1 1 1 13 8  4  o 107.9214 1.272644  116.6429       2.734177  102.5969       3.828063  131.2707       3.906552  -13.28419      2.545287  
1 1 1 13 8  5  o 394.6412 3.351378  1559.602       26.44937  1548.493       37.10476  1571.077       37.71277  -2.851654      6.702755  
1 1 1 13 8  6  o 133.1444 1.272134  176.3720       3.327264  172.4124       4.295026  182.3146       5.261698  -3.710342      2.544269  
1 1 1 13 8  7  o 155.8269 1.362188  242.3291       4.238516  253.3378       6.212716  232.7437       5.797169  6.603058       2.724375  
1 1 1 13 8  8  o 244.8657 2.271253  596.7941       10.90924  581.8840       14.03202  619.5769       17.34540  -7.611908      4.542506  
1 1 1 13 8  9  o 136.4185 1.208697  185.7408       3.292658  194.5460       4.823773  178.0591       4.505542  6.037201       2.417393  
1 1 1 13 8  10 o 92.39009 1.007264  85.41544       1.860647  88.05767       2.635849  82.79117       2.626879  2.849976       2.014528  
1 1 1 13 8  11 o 104.7188 1.143776  108.6105       2.381874  121.0919       3.610085  98.98875       3.169678  10.54092       2.287552  
1 1 1 13 8  12 o 116.4433 1.109506  135.0827       2.505794  138.2919       4.098597  133.1671       3.166527  2.172966       2.219013  
1 1 1 13 8  13 o 90.97618 1.088357  83.35492       1.827760  81.56506       3.277048  84.16313       2.202089  -1.466125      2.176713  
1 1 1 13 8  14 o 94.84200 0.9877072 90.44656       1.851551  87.41071       2.818123  92.75240       2.456039  -2.832153      1.975414  
1 1 1 13 8  15 o 12.41262 3.229657  1.163395       0.9215062 1.046025       1.048297  1.562458       1.932982  -3.075147      6.459315  
1 1 1 13 8  16 o 37.83530 1.083915  14.37363       0.8185338 14.50424       1.125143  14.22679       1.192998  0.3744011      2.167830  
1 1 1 13 8  17 o 19.98005 2.040642  4.078971       0.8119790 3.846668       1.181405  4.286954       1.117853  -1.121622      4.081285  
1 1 1 13 8  18 o 11.50365 2.485247  1.222911       0.6661767 2.173593       1.017293  0.5091425      0.8814697 5.395366       4.970495  
1 1 1 13 8  19 o 30.96783 1.177667  9.303613       0.7109507 11.52581       1.177999  8.030462       0.8916475 5.546041       2.355334  
1 1 1 13 8  20 o 30.35826 1.089426  9.427828       0.6542657 10.47118       0.8986466 8.250970       0.9544123 3.678675       2.178851  
1 1 1 13 8  21 o 13.55844 2.120242  1.983472       0.5422697 1.801878       0.6747830 2.314577       0.9111608 -1.518190      4.240484  
1 1 1 13 8  22 o 19.88948 1.524888  4.016655       0.5797305 3.674049       0.7095163 4.704807       1.005558  -2.218367      3.049776  
1 1 1 13 8  23 o 13.67156 2.891221  2.382294       0.8863051 3.509999       1.344698  1.516084       1.178525  5.303899       5.782441  
1 1 1 13 9  0  o 89.58594 1.747746  80.44684       3.125735  80.22390       4.380144  80.67818       4.461904  0.000000       0.000000  
1 1 1 13 9  1  o 338.5397 3.523679  1147.921       22.50626  1148.888       27.58757  1145.998       38.91676  0.5588379      7.047358  
1 1 1 13 9  2  o 254.7716 2.175420  649.3510       11.08404  653.5251       15.77942  645.2853       15.57302  1.615509       4.350841  
1 1 1 13 9  3  o 151.3610 1.532250  228.5195       4.628601  238.6384       6.820006  219.8787       6.302267  6.193817       3.064500  
1 1 1 13 9  4  o 336.7949 3.521675  1127.009       22.10661  1111.449       26.69449  1160.973       39.43874  -7.156433      7.043349  
1 1 1 13 9  5  o 157.1984 1.485532  246.2663       4.608576  252.7831       7.164322  241.6662       6.019236  3.527191       2.971063  
1 1 1 13 9  6  o 174.9194 1.518929  306.1098       5.313352  305.6104       7.462868  306.6231       7.566635  -0.2882996     3.037857  
1 1 1 13 9  7  o 154.0395 1.353492  237.2951       4.167447  234.5957       5.783031  240.2114       6.010889  -1.819992      2.706984  
1 1 1 13 9  8  o 159.6350 1.516972  255.0576       4.777619  255.1803       6.263318  254.8868       7.388353  0.1124420      3.033944  
1 1 1 13 9  9  o 178.3376 1.919303  318.1465       6.389715  317.4533       7.748413  319.6200       11.29631  -0.5079498     3.838606  
1 1 1 13 9  10 o 65.42209 0.8379464 42.82101       1.090773  42.85989       1.470331  42.77343       1.626661  0.6856537E-01  1.675893  
1 1 1 13 9  11 o 67.54341 0.8534407 45.03318       1.142773  50.23534       1.764479  41.27450       1.499832  6.627678       1.706881  
1 1 1 13 9  12 o 62.88324 0.8920214 39.55517       1.121447  41.10505       1.600308  38.05964       1.572003  2.420776       1.784043  
1 1 1 13 9  13 o 91.22475 1.148839  80.60668       1.953428  90.76208       3.553449  76.20863       2.338471  7.929596       2.297677  
1 1 1 13 9  14 o 51.02763 1.021159  26.42565       1.009007  24.60178       1.615523  27.59216       1.291994  -2.946129      2.042318  
1 1 1 13 9  15 o 26.74944 2.167024  7.278200       1.142704  6.900947       1.744930  7.561469       1.512033  -1.272854      4.334049  
1 1 1 13 9  16 o 66.24233 0.9749705 43.96586       1.290848  46.25030       1.853891  41.81602       1.798441  3.341293       1.949941  
1 1 1 13 9  17 o 50.95000 0.9837548 25.93913       0.9947248 25.00758       1.317140  27.17574       1.517559  -2.094139      1.967510  
1 1 1 13 9  18 o 45.18474 1.044861  20.51047       0.9419953 22.58721       1.362266  18.60755       1.304008  4.390949       2.089723  
1 1 1 13 9  19 o 38.55079 1.046387  14.72297       0.7951321 16.56408       1.259635  13.50340       1.025200  3.899040       2.092775  
1 1 1 13 9  20 o 24.34603 1.430423  5.984986       0.6800441 8.000267       1.021567  4.381259       0.9113052 7.372849       2.860845  
1 1 1 13 9  21 o 27.85577 1.140253  7.981408       0.5752929 8.033671       0.6839274 7.854961       1.063811  0.5949650      2.280505  
1 1 1 13 9  22 f 16.63329 1.869795  2.964663       0.5616257 2.840629       0.6748732 3.244054       1.012880  -0.4048939     3.739589  
1 1 1 13 9  23 o 12.20114 3.076467  2.100574       1.044689  2.833353       1.310079  0.8208562      1.731283  4.238026       6.152934  
1 1 1 13 10 0  o 94.32468 1.815849  89.02485       3.416374  92.63712       4.973070  85.79654       4.701337  0.000000       0.000000  
1 1 1 13 10 1  o 122.1098 1.188362  149.3949       2.880798  151.4023       3.861207  146.8747       4.326509  1.855942       2.376724  
1 1 1 13 10 2  o 174.5438 1.871205  300.7105       6.045573  294.2864       7.244466  315.4466       10.97212  -6.034546      3.742410  
1 1 1 13 10 3  o 392.4126 3.958600  1530.649       27.75537  1515.993       32.53187  1569.856       53.20943  -6.521362      7.917199  
1 1 1 13 10 4  o 245.2613 2.267488  601.5117       10.99737  599.1158       14.49150  604.7652       16.88721  -1.126541      4.534976  
1 1 1 13 10 5  o 278.0408 3.074708  767.2603       16.55031  747.2022       20.79990  801.8748       27.32417  -9.713440      6.149415  
1 1 1 13 10 6  o 254.5813 2.577556  648.3484       11.83136  647.3689       13.97460  650.8278       22.23201  -0.5121918     5.155112  
1 1 1 13 10 7  o 118.1660 1.256670  138.4945       2.949415  130.1551       3.905022  149.5698       4.500222  -8.207634      2.513340  
1 1 1 13 10 8  o 77.37640 0.9182197 60.35538       1.377585  61.87252       1.757584  57.93869       2.218261  2.547409       1.836439  
1 1 1 13 10 9  o 119.6112 1.093122  143.0380       2.611543  141.1949       3.591937  145.1048       3.803716  -1.630829      2.186244  
1 1 1 13 10 10 o 99.12271 1.205421  98.78522       2.180211  99.44608       2.601651  97.22651       3.995589  1.152199       2.410843  
1 1 1 13 10 11 o 103.6956 1.262442  107.7039       2.542529  107.8785       3.232234  107.4207       4.117846  0.2486267      2.524883  
1 1 1 13 10 12 o 130.3017 1.410652  168.6838       3.318264  173.2629       6.257503  166.8925       3.913883  2.350922       2.821304  
1 1 1 13 10 13 o 49.11761 0.9662126 24.16550       0.9480614 25.51725       1.341171  22.81541       1.340352  2.750351       1.932425  
1 1 1 13 10 14 o 61.21628 1.053512  37.52560       1.271313  37.61236       1.973113  37.46402       1.662375  0.1034698      2.107025  
1 1 1 13 10 15 o 70.56506 1.325463  49.15380       1.810144  46.80850       2.264161  53.30812       3.013407  -4.521431      2.650925  
1 1 1 13 10 16 o 85.95262 1.458463  74.11935       2.507175  74.11935       2.507175  ?              ?         ?              ?         
1 1 1 13 10 17 o 47.58795 0.9173716 22.73468       0.8701265 22.86146       1.286432  22.62777       1.181361  0.2279663      1.834743  
1 1 1 13 10 18 o 7.799568 2.131012  0.1409335      0.5500072 0.9291102      0.7455525 -0.8002095     0.8146935 3.860634       4.262023  
1 1 1 13 10 19 o 39.73647 0.9525470 15.71209       0.7433447 14.94417       0.9542885 16.89701       1.185399  -2.394699      1.905094  
1 1 1 13 10 20 f 10.79597 2.370461  1.275885       0.5660874 1.462393       0.6995089 0.9219328      0.9636431 1.576280       4.740921  
1 1 1 13 10 21 o 10.44026 2.464906  1.207674       0.6338701 1.583477       0.8117614 0.6205270      1.014664  2.680347       4.929813  
1 1 1 13 10 22 o 26.57473 1.304392  7.833395       0.6418363 9.107631       0.8178797 5.790669       1.035546  6.486500       2.608784  
1 1 1 13 10 23 o 9.194201 2.727892  0.7633054      0.8473657 0.7802402      1.185621  0.7456229      1.211511  0.2745914E-01  5.455784  
1 1 1 13 11 0  o 41.56404 1.364744  17.47388       0.9910620 17.21153       1.929502  17.56789       1.155073  0.000000       0.000000  
1 1 1 13 11 1  o 214.2246 2.257782  459.4579       9.131891  460.0048       11.20237  458.3745       15.76599  0.4215546      4.515565  
1 1 1 13 11 2  o 118.7668 1.245506  140.0751       2.944130  151.0813       4.438069  131.4247       3.934518  8.272629       2.491012  
1 1 1 13 11 3  o 268.7018 2.367359  725.1386       12.38774  734.2657       15.86235  710.8697       19.83336  4.395477       4.734717  
1 1 1 13 11 4  o 76.93062 0.8664640 57.76126       1.285598  54.13793       1.595571  64.46667       2.170577  -6.710487      1.732928  
1 1 1 13 11 5  o 225.8320 2.241476  510.2834       10.12058  502.4280       14.09508  518.6434       14.54064  -3.583191      4.482952  
1 1 1 13 11 6  o 101.0782 1.030226  101.3256       2.036271  98.23003       2.599908  106.2375       3.275018  -3.955086      2.060453  
1 1 1 13 11 7  o 134.0734 1.392456  183.8666       3.497808  192.0483       4.309595  168.0727       5.987673  8.965576       2.784911  
1 1 1 13 11 8  o 133.6113 1.236801  176.9472       3.154171  173.1482       3.894467  184.1902       5.377470  -4.107101      2.473603  
1 1 1 13 11 9  o 57.99600 0.7516309 33.55744       0.8361458 33.34030       1.042239  33.94960       1.400635  -0.5208855     1.503262  
1 1 1 13 11 10 o 83.78770 0.8611932 71.05128       1.412918  74.73589       1.848566  65.87434       2.191171  5.294380       1.722386  
1 1 1 13 11 11 o 154.1042 1.748309  238.0894       5.288639  237.5170       8.312261  238.4787       6.855126  -0.3758545     3.496618  
1 1 1 13 11 12 o 50.66742 0.7812119 25.72424       0.7903055 26.57401       1.098285  24.81173       1.138099  1.740009       1.562424  
1 1 1 13 11 13 o 27.39452 1.452633  7.460659       0.7918921 6.948624       1.057157  8.115298       1.195339  -2.122208      2.905266  
1 1 1 13 11 14 o 58.55004 0.9078626 34.21472       1.060908  36.08702       1.563089  32.61551       1.444607  2.958084       1.815725  
1 1 1 13 11 15 o 28.56349 1.743643  8.033580       0.7794095 7.921389       0.8627470 8.531585       1.817698  -0.9228649     3.487285  
1 1 1 13 11 16 o 87.44755 1.160897  77.08364       2.014451  74.42422       3.015006  79.22819       2.707471  -2.787949      2.321794  
1 1 1 13 11 17 o 18.21348 1.970439  3.767083       0.6109366 4.274784       0.7404595 2.684476       1.081267  4.752082       3.940878  
1 1 1 13 11 18 o 39.02620 0.9574782 15.56544       0.7348188 17.32548       0.9926947 13.43214       1.092899  5.009140       1.914956  
1 1 1 13 11 19 o 27.16688 1.241872  7.459739       0.6737703 7.260903       0.9236558 7.685869       0.9850112 -0.7604942     2.483743  
1 1 1 13 11 20 o 29.68801 1.331222  8.979331       0.7859880 9.060750       1.177452  8.913890       1.055612  0.1837711      2.662445  
1 1 1 13 11 21 o 11.17079 2.575509  1.411184       0.6587106 1.480543       0.8577577 1.311482       1.028406  0.4598694      5.151018  
1 1 1 13 11 22 o 17.12279 2.347130  3.954835       0.7383779 5.082659       0.9183376 1.892423       1.241851  9.605721       4.694259  
1 1 1 13 11 23 o 22.35527 2.385638  5.820916       1.014256  8.013278       1.604928  4.363130       1.308720  7.542391       4.771277  
1 1 1 13 12 0  o 145.3076 2.079066  217.2298       5.460395  197.7116       9.937170  225.6724       6.535491  0.000000       0.000000  
1 1 1 13 12 1  o 169.1530 1.524774  287.2415       5.017234  290.7455       6.411886  281.7078       8.057693  2.682281       3.049548  
1 1 1 13 12 2  o 92.03648 1.829338  84.72514       3.367317  84.72514       3.367317  ?              ?         ?              ?         
1 1 1 13 12 3  o 302.3704 3.164108  918.5596       18.09307  924.9351       22.26625  906.1682       31.04227  3.235443       6.328216  
1 1 1 13 12 4  o 247.5516 2.291677  613.1783       11.22683  612.0847       14.83385  614.6446       17.17686  -0.4849091     4.583354  
1 1 1 13 12 5  o 87.39570 1.102811  74.60580       1.842484  70.62998       2.264244  82.39822       3.169908  -6.724960      2.205621  
1 1 1 13 12 6  o 75.72025 0.9317583 56.75400       1.400660  52.74620       1.849517  62.14360       2.144784  -6.202782      1.863517  
1 1 1 13 12 7  o 165.7170 1.570982  272.6048       5.100263  264.1901       6.535316  285.7138       8.157015  -6.464355      3.141964  
1 1 1 13 12 8  o 36.79681 0.9109736 13.50089       0.6650803 13.21194       0.8821267 13.88148       1.012406  -0.9080734     1.821947  
1 1 1 13 12 9  o 84.52452 0.9221218 71.52857       1.542155  71.84840       2.039705  71.10177       2.356257  0.4468613      1.844244  
1 1 1 13 12 10 f 162.5501 1.536306  265.4444       4.969944  273.8708       6.766927  255.5759       7.323097  5.647720       3.072613  
1 1 1 13 12 11 o 112.9931 1.124807  128.2906       2.525528  132.8113       3.419947  122.8683       3.745485  4.409164       2.249613  
1 1 1 13 12 12 o 73.23979 0.8385062 53.77702       1.180159  54.04706       1.478824  53.30341       1.958427  0.5203476      1.677012  
1 1 1 13 12 13 o 92.20375 1.045611  85.89138       1.898211  90.13800       2.511559  80.23408       2.898853  5.385834       2.091222  
1 1 1 13 12 14 o 60.08302 0.8877274 36.24568       1.051970  36.73595       1.382780  35.57207       1.620838  0.9821701      1.775455  
1 1 1 13 12 15 o 86.65891 1.369970  75.72767       1.948198  75.91472       2.199773  75.04731       4.195267  0.7511292      2.739941  
1 1 1 13 12 16 o 40.02823 0.9741341 16.02450       0.7750836 15.62816       1.034618  16.53145       1.170113  -1.111752      1.948268  
1 1 1 13 12 17 o 30.69311 1.065492  9.412702       0.6384749 9.190051       0.8141402 9.768394       1.029022  -0.8997707     2.130984  
1 1 1 13 12 18 f 28.86788 1.151251  8.383860       0.6542872 8.284173       0.8509958 8.527983       1.023234  -0.3767166     2.302502  
1 1 1 13 12 19 o 34.60899 1.220195  11.89085       0.8328422 13.55317       1.317937  10.78570       1.074598  3.908939       2.440389  
1 1 1 13 12 20 o 16.59050 2.150426  2.901370       0.6958867 3.373865       1.041979  2.520947       0.9349608 2.750695       4.300852  
1 1 1 13 12 21 o 7.489216 2.267137  0.2478056E-01  0.6071877 -0.2963933     0.7970264 0.4689699      0.9373174 -2.112605      4.534273  
1 1 1 13 12 22 o 10.96708 2.344983  1.388297       0.6638803 2.294918       0.8706914 0.1292438      1.026062  6.112534       4.689965  
1 1 1 13 12 23 o 11.41832 3.394757  1.591651       1.457664  -0.5735844     2.495861  2.712522       1.795749  -3.530974      6.789515  
1 1 1 13 13 0  o 252.6644 3.063156  638.8949       15.46112  652.8910       22.29744  625.9335       21.45740  0.000000       0.000000  
1 1 1 13 13 1  o 85.67723 1.194601  72.59490       2.027364  67.86947       2.656343  79.18784       3.137639  -6.602585      2.389201  
1 1 1 13 13 2  o 131.3387 1.526559  172.6141       3.924899  172.8486       5.058633  172.2595       6.221321  0.2328491      3.053117  
1 1 1 13 13 3  o 342.3833 3.016764  1171.982       19.95939  1166.323       25.13988  1181.632       32.82768  -2.106110      6.033528  
1 1 1 13 13 4  o 184.6578 1.980395  338.0022       6.790297  332.6467       8.168662  349.9782       12.21538  -4.636230      3.960790  
1 1 1 13 13 5  o 185.3339 1.735744  344.7303       6.401076  354.8443       8.701522  332.8024       9.449664  5.957565       3.471487  
1 1 1 13 13 6  o 198.2846 1.769455  395.1435       6.833720  400.8499       8.757376  386.2579       10.92771  3.718231       3.538910  
1 1 1 13 13 7  o 102.2811 1.005032  104.8785       1.990773  105.5668       2.522667  103.7424       3.241270  0.9010773      2.010063  
1 1 1 13 13 8  o 51.94359 0.7876325 26.39530       0.7746121 25.23187       0.9432902 28.80438       1.357379  -3.433956      1.575265  
1 1 1 13 13 9  o 103.6322 1.184860  106.2726       2.277818  104.3173       2.736373  110.6849       4.110530  -3.041855      2.369719  
1 1 1 13 13 10 o 113.9007 1.085172  131.1025       2.422035  136.7657       3.164928  123.0983       3.762644  6.015907       2.170345  
1 1 1 13 13 11 o 105.5283 1.035441  110.7096       2.088082  108.9831       2.585259  113.9494       3.541460  -2.326935      2.070882  
1 1 1 13 13 12 o 55.22396 0.9809862 29.44430       0.9089107 28.58932       1.027379  32.52340       1.949689  -3.532967      1.961972  
1 1 1 13 13 13 o 44.99993 0.9343337 20.39172       0.8291391 21.05976       1.095550  19.49606       1.268537  1.744034       1.868667  
1 1 1 13 13 14 o 44.79410 0.9382733 20.24675       0.8296654 21.14634       1.103190  19.07549       1.258796  2.321003       1.876547  
1 1 1 13 13 15 o 51.46745 1.127370  26.53700       1.160457  26.53700       1.160457  ?              ?         ?              ?         
1 1 1 13 13 16 o 13.25527 2.453828  1.940735       0.6505176 2.206602       0.7987070 1.416860       1.121166  2.500282       4.907656  
1 1 1 13 13 17 o 40.21434 0.9113827 16.05024       0.7262052 14.88545       0.9519079 17.67207       1.123247  -3.433159      1.822765  
1 1 1 13 13 18 o 20.78610 1.497384  4.332741       0.6097955 4.129653       0.7793595 4.653343       0.9792188 -1.186996      2.994769  
1 1 1 13 13 19 o 40.04446 1.102923  16.26520       0.8791869 16.68795       1.196607  15.76926       1.296055  1.184788       2.205845  
1 1 1 13 13 20 o 7.909450 2.317515  0.2191809      0.6143037 0.5274603      0.8073463 -0.2047205     0.9467167 1.132369       4.635030  
1 1 1 13 13 21 o 12.62982 2.719575  1.628238       0.7158318 1.143471       0.8589770 2.730160       1.295061  -4.756419      5.439150  
1 1 1 13 13 22 o 10.49286 2.591859  1.040559       0.7557741 2.210422       1.105850  0.1522651E-01  1.035288  5.571746       5.183717  
1 1 1 13 14 0  o 24.21471 2.151326  6.643178       0.8697488 7.812753       1.097650  4.669951       1.425733  0.000000       0.000000  
1 1 1 13 14 1  f 328.3232 3.019815  1082.144       19.70833  1106.127       26.61394  1053.023       29.32670  8.129944       6.039630  
1 1 1 13 14 2  o 263.8401 2.442038  696.8677       12.75609  697.3104       16.88630  696.2792       19.46745  0.2317505      4.884077  
1 1 1 13 14 3  o 311.6764 2.872247  975.5349       17.80055  998.8446       24.08270  947.4639       26.42799  8.289063       5.744493  
1 1 1 13 14 4  o 101.3632 1.049543  102.5889       2.100080  101.6571       2.750782  103.8909       3.251555  -1.097633      2.099087  
1 1 1 13 14 5  o 80.21631 1.070256  61.48965       1.515029  58.50895       1.747675  70.50302       3.039096  -7.463448      2.140512  
1 1 1 13 14 6  o 165.4113 1.734582  269.7548       5.062328  265.2658       5.879644  282.6187       9.953106  -5.167648      3.469164  
1 1 1 13 14 7  o 87.08852 1.107073  75.86238       1.928268  75.86238       1.928268  ?              ?         ?              ?         
1 1 1 13 14 8  o 65.99535 0.8199443 43.84132       1.047166  44.68705       1.329940  42.46166       1.698649  1.690872       1.639889  
1 1 1 13 14 9  o 45.58581 1.020204  21.24308       0.8388630 21.87212       0.9991922 19.74101       1.544025  2.348362       2.040408  
1 1 1 13 14 10 o 58.01995 1.051857  34.16927       1.164716  35.38375       1.459144  32.03667       1.933560  2.896751       2.103714  
1 1 1 13 14 11 o 57.83360 0.9875601 33.49819       0.9764877 33.52144       1.120776  33.42493       1.989499  0.1066589      1.975120  
1 1 1 13 14 12 o 129.1433 1.221140  166.7334       3.033970  165.9818       3.798460  168.0581       5.042494  -0.7529144     2.442280  
1 1 1 13 14 13 o 74.21707 0.9195120 55.38379       1.347249  56.74352       1.780791  53.56391       2.060198  2.153885       1.839024  
1 1 1 13 14 14 o 43.93701 0.9879094 19.36199       0.8665479 19.73854       1.197072  18.94744       1.256019  0.9042435      1.975819  
1 1 1 13 14 15 o 65.77703 1.079014  43.51471       1.390136  43.91667       1.797466  42.91645       2.192871  0.8047028      2.158028  
1 1 1 13 14 16 o 30.91934 1.105543  9.669196       0.6749166 10.05736       0.8968272 9.162261       1.024894  1.466513       2.211085  
1 1 1 13 14 17 o 36.59554 0.9829805 13.59489       0.7127150 14.88114       0.9767749 12.13035       1.042273  3.772137       1.965961  
1 1 1 13 14 18 f 13.47436 2.259589  1.844610       0.6060145 1.218448       0.7817681 2.787426       0.9592859 -5.387197      4.519178  
1 1 1 13 14 19 o 34.88444 1.135428  12.78113       0.7532446 14.09941       0.9612906 10.68424       1.212378  4.999611       2.270856  
1 1 1 13 14 20 o 9.011091 2.574263  0.5190175      0.7238892 0.7997416      0.9151370 0.4972693E-01  1.183224  0.8887873      5.148526  
1 1 1 13 14 21 o 8.343575 2.331151  0.2258176      0.6752918 1.194808       0.9021163 -1.009187      1.018444  4.107184       4.662302  
1 1 1 13 14 22 o 16.50456 2.924946  3.452497       0.9138682 3.392564       1.096285  3.589000       1.654474  0.8387737      5.849893  
1 1 1 13 15 0  o 23.01363 2.608345  6.485077       0.8991102 8.010504       1.128847  3.838233       1.486975  0.000000       0.000000  
1 1 1 13 15 1  o 336.5879 2.871845  1134.625       19.33247  1133.671       27.29340  1135.586       27.38734  -0.2827148     5.743690  
1 1 1 13 15 2  o 280.2625 2.587839  787.0925       14.37445  782.3198       21.81111  790.7574       19.11228  -1.555054      5.175677  
1 1 1 13 15 3  o 40.71191 0.9181856 16.64923       0.7107852 16.81142       0.8804370 16.34571       1.204459  0.5742989      1.836371  
1 1 1 13 15 4  o 110.7845 1.077236  122.3112       2.302428  121.0597       2.889515  124.4879       3.810613  -1.538490      2.154473  
1 1 1 13 15 5  o 135.4976 1.268211  181.9751       3.285267  178.0219       4.063923  189.4313       5.581151  -4.190536      2.536423  
1 1 1 13 15 6  o 64.14821 0.8661899 39.17072       1.050560  35.51016       1.266894  47.22916       1.879718  -9.127621      1.732380  
1 1 1 13 15 7  o 142.1104 1.315363  202.3499       3.616662  203.0971       4.573242  201.1024       5.909248  0.7273865      2.630726  
1 1 1 13 15 8  f 23.92525 1.292470  6.242735       0.5634638 7.514628       0.7167301 4.184664       0.9117180 6.963295       2.584940  
1 1 1 13 15 9  o 28.60909 1.095634  7.575960       0.5933888 6.430378       0.7126746 10.16508       1.071406  -6.518051      2.191269  
1 1 1 13 15 10 o 70.45018 0.8910749 49.12170       1.219326  47.49570       1.537929  51.87362       2.000749  -3.096733      1.782150  
1 1 1 13 15 11 o 121.2990 1.211248  147.6990       2.915010  150.5176       3.905053  144.1520       4.380724  2.641174       2.422497  
1 1 1 13 15 12 o 90.33832 0.9914826 80.99340       1.742191  78.80529       2.205330  84.62604       2.841525  -3.199669      1.982965  
1 1 1 13 15 13 o 42.84470 0.9381596 18.59990       0.7381012 18.94629       0.8877380 17.82422       1.328442  1.331020       1.876319  
1 1 1 13 15 14 o 34.84489 1.427402  12.24937       0.9143242 12.33117       1.097374  12.06368       1.653441  0.4454269      2.854804  
1 1 1 13 15 15 o 68.13699 1.044290  46.61554       1.408247  46.84348       1.864459  46.31279       2.148796  0.4207153      2.088581  
1 1 1 13 15 16 o 31.66903 1.082817  9.928115       0.6759461 9.236826       0.8727242 10.96457       1.068614  -2.694202      2.165633  
1 1 1 13 15 17 o 34.59838 1.041058  12.06598       0.7148667 12.19686       0.9567111 11.90054       1.075659  0.4544220      2.082117  
1 1 1 13 15 18 o 26.42902 1.326609  7.077223       0.6993456 6.393925       0.9725887 7.808743       1.006322  -2.663916      2.653219  
1 1 1 13 15 19 f 30.36780 1.187021  9.458999       0.7061809 9.945723       0.9254488 8.780548       1.092622  1.989532       2.374041  
1 1 1 13 15 20 o 28.10733 1.513237  8.532792       0.7918038 9.290071       0.9865294 7.161738       1.327423  4.077591       3.026474  
1 1 1 13 15 21 f 16.34267 2.229421  3.103098       0.7008091 3.833560       0.9555212 2.252742       1.030960  5.164984       4.458841  
1 1 1 13 15 22 o 10.16412 2.590744  0.8983437      0.8166264 2.111431       1.087309  -0.6713925     1.236859  5.647342       5.181488  
1 1 1 13 16 0  o 137.5200 2.148029  187.8132       5.498740  184.9489       6.637388  194.0804       9.818056  0.000000       0.000000  
1 1 1 13 16 1  f 55.14856 0.9332289 30.13217       1.022862  27.99321       1.356983  32.94656       1.556558  -4.489471      1.866458  
1 1 1 13 16 2  o 122.6080 1.209457  150.8067       2.953099  145.0743       4.333490  155.7767       4.035085  -4.367401      2.418914  
1 1 1 13 16 3  o 45.93742 0.9732809 21.13431       0.8930365 22.10296       1.253182  20.13487       1.272939  2.142307       1.946562  
1 1 1 13 16 4  o 86.31016 0.9258133 74.92171       1.552126  76.28476       1.982035  72.76047       2.495781  2.046295       1.851627  
1 1 1 13 16 5  o 62.30449 0.8838529 39.05039       1.089997  40.56540       1.457783  37.12948       1.641495  2.759235       1.767706  
1 1 1 13 16 6  o 132.5139 1.245356  176.2145       3.202360  177.8383       4.073286  173.5866       5.181896  1.623230       2.490713  
1 1 1 13 16 7  o 71.57655 0.9830497 53.30587       1.305103  57.38905       1.609426  45.46464       2.230302  8.339058       1.966099  
1 1 1 13 16 8  o 189.8260 2.028092  361.5308       7.254926  362.3048       8.885947  359.9832       12.56445  0.7525177      4.056184  
1 1 1 13 16 9  o 195.2568 1.765266  379.2010       6.596573  372.3335       8.177766  391.9931       11.16109  -4.902924      3.530533  
1 1 1 13 16 10 f 128.1620 1.271440  164.0095       3.209888  161.9528       4.179027  166.9689       5.012814  -1.929329      2.542879  
1 1 1 13 16 11 o 57.17014 1.033717  32.15280       0.9874675 31.70381       1.118114  33.74434       2.105108  -1.753128      2.067434  
1 1 1 13 16 12 o 75.63560 0.8942006 57.22962       1.286730  57.17167       1.590523  57.33939       2.189017  -0.9123230E-01 1.788401  
1 1 1 13 16 13 o 44.70531 1.085690  18.85981       0.7881240 18.09136       0.8775700 22.06350       1.791836  -4.382568      2.171381  
1 1 1 13 16 14 o 46.63670 1.004076  21.53558       0.8937468 20.92854       1.101901  22.70287       1.527997  -1.863556      2.008153  
1 1 1 13 16 15 o 30.18274 1.391283  8.621475       0.8022752 7.466937       0.9751505 11.03989       1.411344  -5.851067      2.782567  
1 1 1 13 16 16 o 35.26669 1.012338  12.62952       0.6993570 13.19885       0.9140110 11.82547       1.086211  1.978619       2.024675  
1 1 1 13 16 17 o 30.74641 1.246199  9.574270       0.7624508 10.65608       1.077079  8.487663       1.079461  3.526928       2.492399  
1 1 1 13 16 18 o 36.76678 1.113018  13.65456       0.8175386 13.66276       1.130251  13.64556       1.183967  0.4058075E-01  2.226035  
1 1 1 13 16 19 o 22.29821 1.768909  5.079392       0.7799109 4.114553       1.049902  6.267320       1.164973  -4.751751      3.537819  
1 1 1 13 16 20 o 9.027683 2.502439  0.6312795      0.6525968 0.4770765      0.8550684 0.8464160      1.009977  -1.335132      5.004879  
1 1 1 13 16 21 o 9.767756 2.649728  0.9103167      0.7560076 1.309845       0.9390144 0.1741826      1.274609  1.953058       5.299457  
1 1 1 13 16 22 o 14.57973 2.954480  2.659187       0.8852319 2.225941       1.117222  3.390016       1.451043  -2.713747      5.908960  
1 1 1 13 17 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13 17 1  o 101.7978 1.268236  102.0014       2.505886  110.4154       4.139728  97.13531       3.148187  6.511909       2.536472  
1 1 1 13 17 2  o 163.9543 1.560351  269.1141       5.069515  267.9671       7.701125  269.9912       6.734472  -0.6309509     3.120703  
1 1 1 13 17 3  o 106.3889 1.092918  113.1020       2.301190  114.0599       3.525044  112.3906       3.037792  0.7792892      2.185836  
1 1 1 13 17 4  o 125.3710 1.246997  157.3628       3.096369  158.0295       4.107433  156.4851       4.712518  0.6243591      2.493994  
1 1 1 13 17 5  f 111.0475 1.141654  123.7660       2.519508  127.2148       3.405202  119.5939       3.745271  3.436440       2.283307  
1 1 1 13 17 6  o 42.54050 1.116014  17.49646       0.9177603 12.09058       1.193061  25.33195       1.436358  -15.55933      2.232028  
1 1 1 13 17 7  o 153.1579 1.479732  234.8534       4.480028  234.9964       5.904215  234.6593       6.878156  0.1352081      2.959464  
1 1 1 13 17 8  o 70.35727 0.9651586 49.57545       1.353353  54.98394       1.931483  44.35920       1.896848  7.549843       1.930317  
1 1 1 13 17 9  o 45.24159 1.006074  20.40542       0.9031283 19.89589       1.197251  21.07816       1.375693  -1.302120      2.012149  
1 1 1 13 17 10 o 89.89040 0.9643859 81.16315       1.668260  81.98590       2.097133  79.74519       2.753090  1.263710       1.928772  
1 1 1 13 17 11 o 160.3347 1.472640  258.6564       4.591803  262.2471       5.868670  252.9881       7.373511  2.960678       2.945280  
1 1 1 13 17 12 o 99.23492 1.184088  98.52359       2.075341  98.39539       2.420863  98.87899       4.030875  -0.1672363     2.368175  
1 1 1 13 17 13 o 69.56689 0.9733188 48.45475       1.346530  48.24381       1.808555  48.71712       2.017016  -0.3269577     1.946638  
1 1 1 13 17 14 o 52.01133 0.8835244 27.75007       0.8680049 29.22307       1.080875  25.07491       1.456626  4.019413       1.767049  
1 1 1 13 17 15 o 38.13878 1.213787  14.80329       0.8844225 15.26961       1.108428  13.98620       1.467237  1.736088       2.427574  
1 1 1 13 17 16 o 16.89511 1.986131  2.972486       0.6382390 3.031633       0.8219136 2.882651       1.012945  0.7809658      3.972263  
1 1 1 13 17 17 o 54.83649 0.9453906 30.23401       1.036730  30.67956       1.479062  29.80368       1.453587  0.7932625      1.890781  
1 1 1 13 17 18 o 39.88675 1.021362  16.22931       0.7982187 17.10878       1.046956  15.00841       1.233562  2.686314       2.042724  
1 1 1 13 17 19 o 7.439785 2.275213  -0.1018204E-01 0.6181733 0.1041758      0.8126040 -0.1672725     0.9524032 -0.1244545E-01 4.550426  
1 1 1 13 17 20 o 9.919835 2.578404  0.9713328      0.6942416 1.325406       0.9110580 0.4810281      1.072093  1.956484       5.156809  
1 1 1 13 17 21 o 13.66242 2.510847  2.294118       0.6989766 2.619433       0.9133216 1.834212       1.085943  2.817163       5.021694  
1 1 1 13 17 22 o 21.80648 2.470192  5.814914       0.9297736 5.891689       1.106512  5.630497       1.714937  2.684351       4.940383  
1 1 1 13 18 0  o 11.45980 3.812706  1.820747       0.9147069 1.646894       1.092437  2.228509       1.673050  0.000000       0.000000  
1 1 1 13 18 1  o 47.97711 1.127027  22.96363       1.060239  22.71456       1.366906  23.33979       1.679813  -0.6481705     2.254055  
1 1 1 13 18 2  o 312.8558 2.677284  980.6118       16.74918  969.7432       23.42547  991.9797       23.95732  -3.539124      5.354568  
1 1 1 13 18 3  o 260.7919 2.238566  681.1276       11.67484  675.4622       16.37278  686.9880       16.65221  -2.202667      4.477131  
1 1 1 13 18 4  o 104.6069 1.004057  109.3452       2.098565  106.9044       2.892446  112.0580       3.049408  -2.461296      2.008114  
1 1 1 13 18 5  o 114.8568 1.123258  132.8037       2.514346  135.7684       3.232349  128.2611       4.001022  3.280396       2.246516  
1 1 1 13 18 6  o 151.8450 1.406552  230.5860       4.125316  230.0473       5.195802  231.5049       6.785555  -0.4444733     2.813105  
1 1 1 13 18 7  f 72.83112 1.030835  53.13041       1.383215  53.21910       1.660489  52.92932       2.500170  0.2151108      2.061669  
1 1 1 13 18 8  f 61.04967 0.8849690 37.29064       1.026448  37.29002       1.267138  37.29182       1.750550  0.8922577E-02  1.769938  
1 1 1 13 18 9  o 94.28172 0.9978242 87.14217       1.763785  83.94709       2.130260  94.10730       3.145257  -5.362686      1.995648  
1 1 1 13 18 10 o 86.59272 1.097365  74.39227       1.667730  73.68011       1.934585  76.45276       3.290678  -1.557510      2.194730  
1 1 1 13 18 11 o 32.97842 1.438475  11.34293       0.7740679 11.69311       0.8786851 10.12945       1.635712  2.405964       2.876949  
1 1 1 13 18 12 o 60.29669 0.8864867 36.47994       1.011267  36.65674       1.244360  36.13606       1.735459  0.4525108      1.772973  
1 1 1 13 18 13 o 38.47095 1.019464  14.65791       0.7394674 14.32684       0.9008136 15.34193       1.294838  -1.292107      2.038929  
1 1 1 13 18 14 o 51.28839 1.017068  26.28720       1.040017  25.22675       1.405861  27.56906       1.545674  -2.268719      2.034135  
1 1 1 13 18 15 o 66.35703 1.030084  44.24948       1.279114  44.33116       1.556296  44.07945       2.245490  0.2809525      2.060168  
1 1 1 13 18 16 o 23.82156 1.526392  5.712509       0.7248271 5.194951       0.9816550 6.332928       1.074784  -2.359955      3.052785  
1 1 1 13 18 17 o 50.93484 0.9238502 25.98443       0.9270843 25.48412       1.205791  26.70780       1.449889  -1.147869      1.847700  
1 1 1 13 18 18 o 56.86261 1.443067  31.65155       1.221388  31.03900       1.332536  34.87072       3.054773  -2.646942      2.886134  
1 1 1 13 18 19 o 9.886806 2.287803  0.8225422      0.6503147 1.792555       0.8358898 -0.6648529     1.035079  5.799631       4.575605  
1 1 1 13 18 20 o 17.73789 2.212791  3.535765       0.7408940 3.734347       0.9533535 3.232936       1.177290  2.043745       4.425583  
1 1 1 13 18 21 o 8.822086 2.590050  0.5332232      0.7478885 0.4668312      1.007787  0.6146073      1.115787  -0.5675154     5.180099  
1 1 1 13 18 22 o 14.68845 3.692667  3.638397       1.360232  3.293153       2.867675  3.738625       1.545111  -2.712165      7.385333  
1 1 1 13 19 0  o 120.0503 1.919439  145.1292       4.361948  146.6649       5.386028  142.2022       7.435756  0.000000       0.000000  
1 1 1 13 19 1  f 93.73735 1.020014  87.58434       1.883600  89.66984       2.944655  86.14002       2.450526  1.877159       2.040029  
1 1 1 13 19 2  o 211.9311 2.123443  449.7767       8.999543  453.3440       12.83809  446.3300       12.61929  1.649231       4.246887  
1 1 1 13 19 3  o 244.9252 2.286659  596.3641       10.97820  578.4938       14.08597  624.0140       17.52133  -9.190994      4.573317  
1 1 1 13 19 4  o 185.4988 1.751386  344.0208       6.418014  341.3584       8.426152  347.6997       9.905019  -1.672638      3.502773  
1 1 1 13 19 5  o 140.9855 1.321698  200.3158       3.641154  205.8299       4.710043  192.1261       5.740151  4.880676       2.643397  
1 1 1 13 19 6  o 119.2847 1.369342  140.0351       3.004052  136.4982       3.578304  148.4791       5.528954  -4.974396      2.738684  
1 1 1 13 19 7  o 195.8673 2.032922  383.8034       7.158694  382.7838       8.437842  386.4227       13.52355  -0.7130737     4.065843  
1 1 1 13 19 8  o 107.1329 1.355678  114.7582       2.819089  114.2371       3.574899  115.6152       4.584376  -0.6089325     2.711356  
1 1 1 13 19 9  o 32.71037 1.394873  9.981072       0.7594696 9.445719       0.8513994 12.06625       1.680293  -3.975290      2.789746  
1 1 1 13 19 10 o 106.5831 1.074876  114.1598       2.214159  115.4635       2.800985  111.9881       3.615125  1.658363       2.149753  
1 1 1 13 19 11 o 94.58463 1.009321  90.06219       1.841454  91.51796       2.325981  87.61748       3.014212  2.087189       2.018641  
1 1 1 13 19 12 o 104.4250 1.241136  110.3469       2.312183  111.6187       2.722093  107.0520       4.381390  2.303787       2.482272  
1 1 1 13 19 13 o 36.95367 1.218747  13.74213       0.8174138 13.79616       0.9712375 13.61093       1.513536  0.3042717      2.437494  
1 1 1 13 19 14 o 35.81918 1.366186  12.83350       0.9717485 13.45232       1.478450  12.36284       1.289389  1.493519       2.732373  
1 1 1 13 19 15 f 43.30920 1.218959  18.74345       1.000285  18.47238       1.227289  19.27982       1.726385  -0.8430748     2.437918  
1 1 1 13 19 16 o 24.92285 1.366617  6.166233       0.6695399 5.695962       0.8580694 6.898227       1.070540  -2.349243      2.733234  
1 1 1 13 19 17 o 51.79034 1.156661  28.02246       1.083685  29.43864       1.302062  24.83022       1.954877  4.641239       2.313323  
1 1 1 13 19 18 o 21.50916 1.791461  4.746530       0.7165321 4.683725       0.8651226 4.883734       1.278680  -0.1930885     3.582921  
1 1 1 13 19 19 o 31.87660 1.458663  10.51832       0.8968757 10.77585       1.137104  10.09436       1.458973  1.275690       2.917326  
1 1 1 13 19 20 o 23.07150 1.674162  5.832349       0.7382237 6.939068       0.9838343 4.406353       1.116767  5.636553       3.348323  
1 1 1 13 19 21 o 8.062340 2.465383  0.4421847E-01  0.7427225 -0.4788558     0.9846777 0.7345991      1.131245  -2.598320      4.930766  
1 1 1 13 19 22 o 9.904119 3.245101  0.7277142E-01  1.319785  1.798831       2.589428  -0.5329745     1.533986  3.723202       6.490203  
1 1 1 13 20 0  o 121.7251 2.237951  148.3873       5.444182  148.3873       5.444182  148.3873       5.444182  0.000000       0.000000  
1 1 1 13 20 1  o 153.7221 1.371560  236.4533       4.216517  235.1763       5.924080  237.7644       6.002812  -0.8403931     2.743119  
1 1 1 13 20 2  o 164.5961 1.459048  271.1208       4.802865  273.2378       6.831103  269.0513       6.754104  1.270233       2.918095  
1 1 1 13 20 3  o 220.4322 2.062511  487.2263       9.013325  483.0160       13.65021  490.4812       12.00183  -1.741974      4.125022  
1 1 1 13 20 4  f 134.1621 1.221026  180.0822       3.275810  178.6046       4.585698  181.6219       4.681167  -1.122726      2.442053  
1 1 1 13 20 5  f 124.0300 1.245878  154.6685       3.069860  161.2773       4.163527  146.7956       4.544295  5.846191       2.491756  
1 1 1 13 20 6  o 70.33189 1.102114  49.67219       1.495601  50.16651       1.886734  48.83640       2.453329  0.9577942      2.204228  
1 1 1 13 20 7  o 25.05131 1.488086  6.730568       0.6713440 7.488313       0.8197329 5.187050       1.169949  4.605335       2.976171  
1 1 1 13 20 8  o 108.4991 1.146106  117.7719       2.449159  117.4902       3.195091  118.1732       3.813709  -0.2968750     2.292211  
1 1 1 13 20 9  o 30.82088 1.271821  9.466699       0.7342917 9.384059       0.8917962 9.640676       1.293945  -0.4016380     2.543641  
1 1 1 13 20 10 o 48.99718 0.9731515 23.76960       0.8738484 23.39179       1.040339  24.67485       1.610364  -1.290936      1.946303  
1 1 1 13 20 11 o 47.87837 0.9524995 22.58762       0.8606192 21.89578       1.047444  24.02507       1.509830  -2.205437      1.904999  
1 1 1 13 20 12 o 67.58232 1.090101  45.06496       1.312425  44.24041       1.532380  47.33473       2.542420  -2.219116      2.180202  
1 1 1 13 20 13 o 47.17341 0.9686571 22.49546       0.8866345 23.11690       1.133416  21.51548       1.423301  1.723690       1.937314  
1 1 1 13 20 14 o 72.32441 1.124173  52.21736       1.603104  54.28888       2.506588  50.78357       2.085355  2.369492       2.248347  
1 1 1 13 20 15 o 29.91542 1.427196  8.115877       0.6470696 7.672917       0.7038319 10.53457       1.644666  -4.545750      2.854393  
1 1 1 13 20 16 o 27.59597 1.572212  7.783076       0.7573355 7.843681       0.8805559 7.610839       1.484436  0.6146145      3.144425  
1 1 1 13 20 17 o 44.34284 1.062878  19.87636       0.9372241 20.16932       1.265166  19.52008       1.395229  0.7717438      2.125757  
1 1 1 13 20 18 o 8.342025 2.352483  0.6393255E-01  0.6787995 -0.9996808     0.9776395 1.053972       0.9432203 -4.081707      4.704967  
1 1 1 13 20 19 o 14.25647 2.472701  2.173402       0.6931170 1.618302       0.8756728 3.104561       1.134144  -4.568247      4.945402  
1 1 1 13 20 20 o 34.97419 1.241832  12.77616       0.8553581 13.59310       1.140173  11.72453       1.293623  2.817520       2.483665  
1 1 1 13 20 21 o 9.987417 2.627391  1.007395       0.7604998 1.707683       1.031955  0.1750022      1.125088  3.535251       5.254782  
1 1 1 13 21 0  o 63.69595 1.705324  39.73707       2.131985  46.75381       3.401132  35.19534       2.736319  0.000000       0.000000  
1 1 1 13 21 1  o 121.3672 1.486351  141.7557       3.379040  132.2088       4.053784  163.4905       6.116562  -12.84312      2.972701  
1 1 1 13 21 2  o 247.8972 2.137931  615.7007       10.59972  616.8439       15.00768  614.5629       14.97292  0.4589691      4.275863  
1 1 1 13 21 3  o 54.19518 0.9372160 29.68281       0.9824774 30.62990       1.251379  28.16089       1.586306  2.282692       1.874432  
1 1 1 13 21 4  o 130.8770 1.295706  171.6505       3.362255  169.7021       5.086050  173.1630       4.481091  -1.335709      2.591412  
1 1 1 13 21 5  o 100.6997 1.274918  101.7257       2.519122  100.2801       3.952345  102.7148       3.269232  -1.225487      2.549837  
1 1 1 13 21 6  o 22.53282 1.602574  4.715623       0.6895092 3.920221       0.8363535 6.403316       1.218270  -5.495625      3.205148  
1 1 1 13 21 7  o 100.9337 1.176751  101.9819       2.374961  102.2470       3.326572  101.7062       3.391782  0.2697830      2.353501  
1 1 1 13 21 8  o 64.86995 0.9247760 41.94582       1.135088  41.61138       1.392409  42.60836       1.959808  -0.7545776     1.849552  
1 1 1 13 21 9  o 126.1879 1.227295  158.6886       2.965825  156.8477       3.685056  162.0739       4.997077  -2.020058      2.454590  
1 1 1 13 21 10 o 54.22393 0.9446441 29.38792       0.9689800 29.30363       1.189876  29.55389       1.669594  -0.2149429     1.889288  
1 1 1 13 21 11 o 117.0208 1.214160  137.6814       2.812906  140.6267       3.744673  133.8673       4.261315  2.919632       2.428320  
1 1 1 13 21 12 o 42.49933 1.252616  17.70770       1.006173  16.92166       1.223106  19.35323       1.769669  -2.814381      2.505232  
1 1 1 13 21 13 o 30.94587 1.213301  9.599996       0.7302783 9.543768       0.9289392 9.690969       1.181593  -0.2067223     2.426602  
1 1 1 13 21 14 o 42.28457 1.078794  18.02856       0.9017626 18.46968       1.196455  17.44844       1.372079  1.231853       2.157588  
1 1 1 13 21 15 o 34.98570 1.086129  12.27755       0.7599795 12.27755       0.7599795 ?              ?         ?              ?         
1 1 1 13 21 16 o 9.320051 2.524494  0.4521575      0.6537825 0.5016177E-01  0.8110208 1.198177       1.104833  -3.841053      5.048987  
1 1 1 13 21 17 o 9.337902 2.479030  0.6590471      0.6678057 1.138505       0.8474352 -0.1265355     1.084743  2.461852       4.958060  
1 1 1 13 21 18 o 11.67927 2.616733  1.465380       0.6798652 1.490984       0.8848728 1.428487       1.062179  0.6751823E-01  5.233467  
1 1 1 13 21 19 o 9.381962 2.518445  0.7496738      0.6910559 1.215042       0.8835993 0.1666682E-01  1.108948  2.377437       5.036890  
1 1 1 13 21 20 o 17.61263 2.188859  3.356280       0.7297096 2.033766       0.9517790 5.242177       1.136567  -8.967899      4.377718  
1 1 1 13 21 21 o 16.10138 2.711901  3.235178       0.8518998 3.343718       1.104983  3.076125       1.337612  1.359146       5.423802  
1 1 1 13 22 0  o 78.94337 1.238109  62.39905       1.952093  64.41387       2.796382  60.48395       2.726303  0.000000       0.000000  
1 1 1 13 22 1  o 163.8924 1.455674  268.5815       4.767638  262.2962       6.584921  275.5063       6.911873  -4.022629      2.911348  
1 1 1 13 22 2  o 216.2823 2.032695  468.8393       8.701236  469.7877       11.51210  467.5754       13.28913  0.5708008      4.065390  
1 1 1 13 22 3  o 173.5850 1.772360  301.6380       6.151042  307.6866       8.839762  295.9602       8.564540  3.369034       3.544719  
1 1 1 13 22 4  o 162.6300 1.561615  264.1374       5.008808  260.7213       6.539872  268.9843       7.790060  -2.502945      3.123231  
1 1 1 13 22 5  o 44.39908 1.143955  20.06207       0.9311768 20.59005       1.120910  18.88625       1.672758  1.932457       2.287911  
1 1 1 13 22 6  o 140.9218 1.485129  198.5972       4.182396  207.0107       6.062528  190.9565       5.777373  5.685440       2.970258  
1 1 1 13 22 7  o 119.5471 1.327125  142.7890       3.168901  149.0403       4.629219  137.2765       4.347082  4.910522       2.654250  
1 1 1 13 22 8  o 147.4866 1.458976  217.3998       4.239248  215.0156       5.522896  220.8191       6.613937  -1.920883      2.917952  
1 1 1 13 22 9  o 91.05545 1.125375  82.89876       2.047354  88.33546       2.950653  77.85106       2.843131  5.753090       2.250750  
1 1 1 13 22 10 o 26.85213 1.423398  6.809378       0.6991616 6.260273       0.8206453 8.263174       1.335303  -3.700706      2.846796  
1 1 1 13 22 11 o 102.6650 1.075825  106.1826       2.133163  107.8545       2.699088  103.4007       3.481665  2.221107       2.151649  
1 1 1 13 22 12 o 53.44157 0.9422002 29.16895       0.9601049 30.58504       1.206266  26.72115       1.585937  3.644966       1.884400  
1 1 1 13 22 13 o 59.44984 0.9399803 35.92792       1.090579  37.98649       1.420499  32.97256       1.702014  4.244518       1.879961  
1 1 1 13 22 14 o 56.88605 1.130278  32.75088       1.178242  33.10416       1.412291  31.94197       2.137029  1.131508       2.260557  
1 1 1 13 22 15 o 28.78548 1.905363  6.804240       0.6979411 6.383784       0.7331001 10.87493       2.281064  -7.197353      3.810726  
1 1 1 13 22 16 o 12.82530 2.620156  1.678415       0.6843951 1.451145       0.8452725 2.110992       1.166158  -2.271001      5.240312  
1 1 1 13 22 17 f 20.70238 2.404874  3.955116       0.7949219 3.549036       0.8818088 5.716452       1.836496  -4.167120      4.809748  
1 1 1 13 22 18 o 35.50733 1.236488  12.89437       0.8726228 13.83919       1.200838  11.83719       1.270234  2.852352       2.472976  
1 1 1 13 22 19 o 21.33489 1.688771  4.752565       0.7058607 4.563316       0.9041842 5.047861       1.129457  -0.8771706     3.377541  
1 1 1 13 22 20 o 11.71963 2.823543  1.655522       0.7940629 1.602540       1.131916  1.706862       1.114242  -0.2945480     5.647086  
1 1 1 13 22 21 o 19.24298 3.034763  5.008935       1.130652  5.287612       1.426474  4.537985       1.854393  3.635555       6.069525  
1 1 1 13 23 0  o 315.8293 3.844116  1001.956       24.26291  1011.733       34.62769  992.5270       34.00662  0.000000       0.000000  
1 1 1 13 23 1  o 90.70089 1.013592  82.41206       1.824423  83.15197       2.439086  81.47226       2.748847  0.9316559      2.027184  
1 1 1 13 23 2  o 78.51431 0.8869053 61.66950       1.392575  61.58013       1.955902  61.76138       1.983177  -0.1149673     1.773811  
1 1 1 13 23 3  o 16.24722 2.211706  2.738183       0.6920352 2.633089       0.9827173 2.841569       0.9747031 -0.6491566     4.423412  
1 1 1 13 23 4  o 101.7022 1.248226  104.1763       2.390234  105.4663       2.932651  101.6235       4.125350  1.922333       2.496452  
1 1 1 13 23 5  o 177.6685 1.692087  317.0872       5.972874  323.5850       8.045791  309.1102       8.914722  4.110611       3.384174  
1 1 1 13 23 6  o 29.65234 1.213619  8.834228       0.7156997 8.453443       1.056398  9.157290       0.9730374 -1.189381      2.427237  
1 1 1 13 23 7  o 29.24386 1.410902  8.516164       0.8025370 8.359284       1.017801  8.774017       1.304867  -0.6979370     2.821804  
1 1 1 13 23 8  o 141.2004 1.348264  200.4852       3.688349  202.9128       4.683742  196.5223       5.984265  2.318817       2.696527  
1 1 1 13 23 9  o 134.1710 1.302709  179.6858       3.349626  178.1167       4.168553  182.5451       5.627334  -1.583801      2.605419  
1 1 1 13 23 10 o 13.22562 2.554573  1.967825       0.7281970 2.529937       0.8841015 0.7820104      1.284100  4.765795       5.109146  
1 1 1 13 23 11 o 65.63465 1.072622  42.54934       1.279256  41.71129       1.512393  44.65657       2.398204  -2.182678      2.145245  
1 1 1 13 23 12 o 30.09864 1.506593  9.111654       0.7499719 9.108691       0.8488065 9.122197       1.601419  0.8227539E-01  3.013186  
1 1 1 13 23 13 o 30.53535 1.194904  9.361641       0.7294764 9.710345       1.044942  9.030149       1.018825  1.110214       2.389807  
1 1 1 13 23 14 o 24.83352 1.470364  6.156046       0.7047240 5.947045       0.8805600 6.528412       1.175359  -1.093922      2.940729  
1 1 1 13 23 15 o 21.84356 2.128219  5.176169       0.6570547 5.285293       0.7220954 4.650967       1.584155  2.122257       4.256438  
1 1 1 13 23 16 o 16.55330 2.299266  2.676046       0.6257501 2.498871       0.7031087 3.350911       1.372239  -1.796246      4.598532  
1 1 1 13 23 17 o 24.65771 1.727503  6.201832       0.8468806 5.605663       1.126165  6.977777       1.284791  -2.679375      3.455006  
1 1 1 13 23 18 o 15.54804 2.358469  2.546463       0.7020929 2.032790       0.8945958 3.370255       1.132903  -3.976456      4.716938  
1 1 1 13 23 19 o 33.48293 1.227505  11.43585       0.8169397 10.73240       1.085045  12.35651       1.241313  -2.297386      2.455010  
1 1 1 13 23 20 f 9.701544 2.449226  0.2705980      0.7992056 -1.706312      1.128486  2.259897       1.132017  -7.527474      4.898451  
1 1 1 13 23 21 o 13.69606 3.855230  3.135231       1.578375  4.226652       2.432148  2.341140       2.074573  2.666549       7.710460  
1 1 1 13 24 0  o 142.6694 1.839709  203.9482       5.245274  204.4169       7.388059  203.4718       7.448181  0.000000       0.000000  
1 1 1 13 24 1  o 47.13002 0.8966269 22.21887       0.8445836 23.36104       1.204120  21.11277       1.184954  2.384827       1.793254  
1 1 1 13 24 2  o 109.4049 1.141793  119.8475       2.473511  120.2029       3.277817  119.3773       3.769675  0.3894424      2.283586  
1 1 1 13 24 3  f 120.9417 1.139311  146.3563       2.755216  144.4979       3.848693  148.3100       3.946060  -1.573349      2.278621  
1 1 1 13 24 4  o 131.6216 1.219884  173.2681       3.208619  169.7538       4.431922  177.1391       4.651371  -2.798767      2.439769  
1 1 1 13 24 5  o 78.63789 0.9572068 61.99041       1.498176  60.68589       2.218142  63.08475       2.031607  -1.529747      1.914414  
1 1 1 13 24 6  o 172.3783 1.652049  297.3883       5.625115  295.4173       7.384924  300.1123       8.681712  -1.304367      3.304099  
1 1 1 13 24 7  o 204.8052 2.134415  421.3885       7.882474  421.7499       9.317904  420.4792       14.78158  0.6601410      4.268830  
1 1 1 13 24 8  o 164.1565 1.761804  271.2463       5.214295  272.5346       6.168968  268.0232       9.757703  1.582886       3.523608  
1 1 1 13 24 9  o 58.40675 1.132499  33.54405       1.145632  32.94537       1.317270  35.40284       2.321081  -2.059845      2.264997  
1 1 1 13 24 10 o 19.27246 2.415026  3.962273       0.7727081 4.097471       0.8912872 3.553164       1.550433  1.855196       4.830051  
1 1 1 13 24 11 o 40.83154 1.053451  17.02271       0.8156926 17.75502       1.016912  15.70139       1.365969  2.542789       2.106901  
1 1 1 13 24 12 o 73.47205 1.182750  54.10275       1.709054  54.76105       2.679191  53.65109       2.219205  0.6987534      2.365501  
1 1 1 13 24 13 o 45.04681 1.004080  20.25117       0.8666372 19.96883       1.077020  20.76977       1.459642  -0.8396530     2.008159  
1 1 1 13 24 14 o 18.98158 1.903954  3.524705       0.7007992 3.116323       0.8714404 4.272272       1.179044  -2.937138      3.807908  
1 1 1 13 24 15 o 17.79022 2.112644  2.805768       0.6146501 2.444866       0.6849141 4.298960       1.393152  -4.540090      4.225289  
1 1 1 13 24 16 o 12.59918 2.468410  1.505211       0.5987453 1.172126       0.7055350 2.362522       1.131906  -4.139619      4.936821  
1 1 1 13 24 17 o 9.219993 2.543745  0.6139839      0.6857091 0.8745482      0.8700774 0.1868557      1.113986  0.9715099      5.087489  
1 1 1 13 24 18 o 28.27392 1.514699  8.369794       0.8273377 8.617101       1.053395  7.971635       1.336598  1.385645       3.029397  
1 1 1 13 24 19 o 19.94078 1.993066  4.299564       0.7908467 4.145412       1.059490  4.493522       1.188436  -0.6767559     3.986132  
1 1 1 13 24 20 o 11.22068 2.950509  1.325000       0.8600628 2.239874       1.462133  0.8409668      1.063516  3.567159       5.901018  
1 1 1 13 25 0  o 51.74359 1.507554  27.28788       1.453176  27.97618       1.778946  25.90744       2.519306  0.000000       0.000000  
1 1 1 13 25 1  o 46.54605 0.9815732 21.57877       0.9009504 21.09599       1.173456  22.27202       1.406154  -1.257656      1.963146  
1 1 1 13 25 2  o 121.1961 1.245117  147.3607       2.987487  149.3297       3.967627  144.7828       4.539840  1.893799       2.490235  
1 1 1 13 25 3  o 138.6096 1.378205  192.7724       3.786920  195.4135       5.050759  189.3814       5.723052  2.199173       2.756410  
1 1 1 13 25 4  o 208.6017 1.967841  436.0988       8.123054  438.0936       12.43681  434.6147       10.72730  0.7489624      3.935681  
1 1 1 13 25 5  o 147.8203 1.450390  218.8237       4.247192  219.0936       6.469245  218.6193       5.630580  0.1279755      2.900780  
1 1 1 13 25 6  o 131.3456 1.219416  172.7158       3.203125  174.5718       4.558451  170.9055       4.501884  1.393600       2.438832  
1 1 1 13 25 7  o 107.4850 1.059342  115.6190       2.276380  114.5350       3.169187  116.7745       3.271843  -1.038147      2.118683  
1 1 1 13 25 8  o 48.04421 1.046078  22.53509       0.9402623 21.55621       1.131837  24.71520       1.689114  -3.266556      2.092157  
1 1 1 13 25 9  o 84.29813 1.016729  70.85167       1.634014  70.14276       2.020222  72.19284       2.778728  -1.178436      2.033458  
1 1 1 13 25 10 o 64.11926 1.152276  40.84858       1.414614  39.98133       1.753414  42.46548       2.394176  -1.889275      2.304552  
1 1 1 13 25 11 o 37.70077 1.136597  13.76360       0.7717422 13.15905       0.9022307 15.41198       1.489805  -2.925671      2.273195  
1 1 1 13 25 12 o 30.69818 1.302082  9.331296       0.7726558 8.947672       0.9660005 10.01259       1.287331  -1.689684      2.604163  
1 1 1 13 25 13 o 15.18659 2.148072  2.338904       0.6044544 2.127682       0.7427351 2.753166       1.040165  -1.868037      4.296145  
1 1 1 13 25 14 o 37.84018 1.119387  14.57141       0.8172848 15.00848       1.037122  13.85530       1.327547  1.592026       2.238774  
1 1 1 13 25 15 o 44.10218 1.005866  19.32274       0.8088323 18.96132       0.9590051 20.21338       1.505437  -1.291889      2.011731  
1 1 1 13 25 16 o 12.69340 2.672657  1.287077       0.6399086 0.8769218      0.7202408 2.824196       1.394304  -6.489442      5.345314  
1 1 1 13 25 17 o 8.162556 2.532095  -0.1653280     0.7886984 -0.4135422     1.044978  0.1632301      1.202264  -1.545907      5.064189  
1 1 1 13 25 18 o 17.66624 2.223286  3.514659       0.7310829 3.723523       0.9243173 3.165671       1.194797  2.254147       4.446572  
1 1 1 13 25 19 o 39.96308 1.499308  17.19753       1.161404  13.16249       1.697612  20.74782       1.592379  -9.610962      2.998617  
1 1 1 13 25 20 o 8.751213 2.741102  0.1406572      0.9527087 0.7670616E-01  1.347503  0.2045762      1.347165  -0.1964216     5.482205  
1 1 1 13 26 0  o 84.76881 1.323752  71.65292       2.235162  67.56957       3.021804  76.58602       3.321385  0.000000       0.000000  
1 1 1 13 26 1  o 65.74619 0.9529095 43.31686       1.247427  42.54749       1.844617  43.96521       1.693334  -1.081795      1.905819  
1 1 1 13 26 2  f 99.88112 1.170121  99.15932       2.324606  93.60509       3.097903  106.3171       3.516771  -6.351204      2.340241  
1 1 1 13 26 3  o 31.19596 1.368028  10.02084       0.8150324 8.731851       1.320766  10.81355       1.035761  -3.346296      2.736055  
1 1 1 13 26 4  o 95.52787 1.063294  91.50629       2.026091  83.93298       2.868196  99.04932       2.862462  -7.912170      2.126587  
1 1 1 13 26 5  o 50.97653 0.9028283 25.97987       0.9197377 25.43240       1.270895  26.58189       1.332717  -1.125805      1.805657  
1 1 1 13 26 6  o 33.06024 1.111723  10.69583       0.7265784 9.256849       0.9457192 12.76876       1.135079  -5.304468      2.223446  
1 1 1 13 26 7  o 49.87479 1.005654  24.94298       1.000212  24.26755       1.460011  25.54032       1.373020  -1.279030      2.011307  
1 1 1 13 26 8  o 39.22724 1.249175  15.47878       0.9502347 15.67561       1.208582  15.16013       1.537791  0.6744919      2.498351  
1 1 1 13 26 9  o 48.82363 1.021611  23.37277       0.9437181 22.37957       1.148818  25.43378       1.654909  -3.095394      2.043221  
1 1 1 13 26 10 o 39.43223 1.126985  15.92929       0.8376619 16.67338       1.038953  14.54711       1.416004  2.728554       2.253970  
1 1 1 13 26 11 o 54.68377 1.064019  30.05829       1.161081  31.06936       1.606758  28.95333       1.679703  1.942791       2.128039  
1 1 1 13 26 12 o 31.44413 1.532662  9.830190       0.8817767 9.628876       1.047805  10.31878       1.632362  -0.9857063     3.065324  
1 1 1 13 26 13 o 59.16727 0.9362182 35.12231       1.042513  35.03498       1.273930  35.29937       1.813919  -0.1319618     1.872436  
1 1 1 13 26 14 o 35.18063 1.250567  12.57043       0.8480455 12.79712       1.071182  12.18974       1.388142  0.9456978      2.501134  
1 1 1 13 26 15 o 29.76214 1.263847  8.707567       0.6973310 8.300635       0.8325873 9.663820       1.276309  -2.137190      2.527694  
1 1 1 13 26 16 o 20.28181 1.829991  3.903676       0.7039402 3.212817       0.8466724 5.450482       1.266889  -5.234215      3.659981  
1 1 1 13 26 17 o 24.95274 1.685463  6.418923       0.8223375 6.418642       1.058477  6.419353       1.306093  0.1584301      3.370926  
1 1 1 13 26 18 o 34.55225 1.235597  12.19258       0.8398829 11.78346       1.086032  12.80135       1.324780  -1.274422      2.471194  
1 1 1 13 26 19 o 15.07496 2.871634  2.772655       0.8691990 2.433308       1.110023  3.310541       1.397509  -2.044623      5.743269  
1 1 1 13 26 20 o 12.78616 3.034347  2.086611       0.9684716 3.291644       1.452585  1.122292       1.299429  5.215903       6.068695  
1 1 1 13 27 0  o 65.91917 1.258462  43.42695       1.653345  41.20090       2.255352  46.01295       2.430865  0.000000       0.000000  
1 1 1 13 27 1  o 47.15650 1.079165  22.05749       1.011279  20.60171       1.341219  23.97560       1.539532  -3.571697      2.158331  
1 1 1 13 27 2  o 145.1680 1.444592  210.7581       4.136498  209.1901       5.409666  212.9655       6.418683  -1.261108      2.889184  
1 1 1 13 27 3  o 198.5674 1.885314  396.0181       7.429514  390.3969       11.18227  400.4605       9.940796  -2.600266      3.770629  
1 1 1 13 27 4  o 111.5640 1.096127  124.4220       2.443473  128.4547       3.550602  120.7937       3.367823  3.427338       2.192254  
1 1 1 13 27 5  f 75.54173 0.9001454 57.10610       1.359848  56.93737       1.909065  57.27988       1.937480  -0.2258606     1.800291  
1 1 1 13 27 6  o 47.17030 0.9168634 22.24541       0.8640903 23.71464       1.242258  20.86823       1.202718  3.015911       1.833727  
1 1 1 13 27 7  o 82.83438 0.9341139 68.32483       1.541414  64.90091       2.071512  72.57246       2.307273  -4.621849      1.868228  
1 1 1 13 27 8  o 26.76636 1.307201  7.235639       0.6945104 6.380484       0.9994448 8.034174       0.9657914 -3.091558      2.614401  
1 1 1 13 27 9  o 131.2955 1.528507  173.3696       3.750432  173.7898       4.558336  172.4892       6.598409  0.6983032      3.057015  
1 1 1 13 27 10 o 81.94925 1.148693  67.66710       1.673028  67.99218       1.961884  66.80050       3.203238  0.8588943      2.297386  
1 1 1 13 27 11 o 54.65701 1.502760  30.43047       1.148597  30.57479       1.242328  29.58089       3.014257  1.169556       3.005519  
1 1 1 13 27 12 o 35.51868 1.125035  12.22914       0.7485596 11.46756       0.8990299 13.95050       1.351607  -3.425690      2.250071  
1 1 1 13 27 13 o 6.583928 2.144134  -0.5792779     0.6245815 -0.3735587     0.7632193 -0.9963817     1.086761  -0.5317545     4.288268  
1 1 1 13 27 14 o 12.74566 2.538208  1.609771       0.6164643 1.445387       0.7196849 2.062726       1.194647  -2.212700      5.076416  
1 1 1 13 27 15 o 31.39370 1.388915  8.993757       0.7404180 8.195165       0.8324119 12.01955       1.620298  -5.778952      2.777830  
1 1 1 13 27 16 o 38.54434 1.105063  14.80635       0.7828821 14.45619       0.9329925 15.63957       1.439217  -1.337311      2.210126  
1 1 1 13 27 17 o 6.421905 2.108288  -0.6206592     0.6383865 -0.1996851     0.7553534 -1.673054      1.194296  0.1077814      4.216577  
1 1 1 13 27 18 o 13.74590 2.795449  2.145032       0.7960953 1.704689       1.007030  2.878781       1.299932  -3.313852      5.590897  
1 1 1 13 27 19 o 11.88278 2.876134  1.731200       0.8402767 2.103651       1.151403  1.306819       1.229056  2.136620       5.752268  
1 1 1 13 27 20 o 9.501533 2.951788  0.6399729      1.075264  0.4819751      1.447743  0.8343570      1.605817  -0.7449436     5.903577  
1 1 1 13 28 0  o 32.36576 2.299096  11.37794       1.315054  9.423071       2.307859  12.31784       1.600264  0.000000       0.000000  
1 1 1 13 28 1  o 29.73924 1.239121  8.723587       0.7243788 8.189022       0.9299731 9.548286       1.155092  -2.277077      2.478241  
1 1 1 13 28 2  o 110.5384 1.256043  122.3240       2.776324  123.8518       3.972136  120.8646       3.882043  1.347771       2.512086  
1 1 1 13 28 3  o 148.4749 1.357394  220.5821       4.027895  226.7646       5.832363  214.9448       5.569344  3.968994       2.714787  
1 1 1 13 28 4  o 53.54148 0.9798211 28.86485       1.041414  26.98473       1.538956  30.45312       1.414471  -3.243027      1.959642  
1 1 1 13 28 5  o 113.0787 1.105072  128.0221       2.499178  128.7357       3.535820  127.3095       3.532925  0.6305008      2.210145  
1 1 1 13 28 6  f 43.70317 0.9842939 19.10323       0.8597524 18.68643       1.189708  19.55882       1.243845  -0.9960098     1.968588  
1 1 1 13 28 7  o 45.41568 1.043818  20.77260       0.9394234 21.62352       1.261990  19.71508       1.406879  2.108795       2.087637  
1 1 1 13 28 8  o 50.34941 1.716745  26.55810       1.205832  27.00754       1.307750  24.00715       3.115578  3.162773       3.433489  
1 1 1 13 28 9  o 79.07106 1.163050  62.53136       1.611883  62.31985       1.871546  63.13894       3.171945  -0.3915482     2.326101  
1 1 1 13 28 10 o 34.37689 1.331897  11.93046       0.9043058 12.22463       1.196960  11.53927       1.380311  1.022213       2.663795  
1 1 1 13 28 11 o 24.50755 1.542478  5.943676       0.7133384 5.726252       0.8673068 6.398280       1.254109  -1.296377      3.084955  
1 1 1 13 28 12 o 70.86812 0.9575545 50.83404       1.301620  51.82555       1.633703  49.11072       2.153802  2.004868       1.915109  
1 1 1 13 28 13 o 68.17548 0.9659402 47.25796       1.267409  48.75152       1.603302  44.76988       2.069365  3.015038       1.931880  
1 1 1 13 28 14 o 32.91557 1.287396  11.21004       0.7944884 11.73256       0.9809137 10.21353       1.354620  2.425016       2.574793  
1 1 1 13 28 15 o 10.97553 2.667031  1.186808       0.6879891 1.190935       0.8543988 1.179195       1.160262  -0.4638529     5.334062  
1 1 1 13 28 16 o 18.50279 2.096657  3.675944       0.7188345 3.763654       0.8981585 3.519645       1.198971  1.197918       4.193313  
1 1 1 13 28 17 o 8.640006 2.612462  0.2295464      0.7703542 0.1827831      0.9548043 0.3167588      1.303919  -1.289923      5.224924  
1 1 1 13 28 18 o 60.69886 1.112480  37.85069       1.346864  41.54448       1.926722  34.32069       1.883519  5.913094       2.224959  
1 1 1 13 28 19 o 18.90235 2.932465  4.628386       1.080193  5.077562       1.390329  3.944351       1.715727  4.112324       5.864930  
1 1 1 13 29 0  o 100.4053 1.465285  101.0470       2.938854  101.3168       4.111466  100.7651       4.202358  0.000000       0.000000  
1 1 1 13 29 1  o 33.86903 1.242032  11.42102       0.8329818 11.94423       1.283030  11.03982       1.095176  1.327507       2.484064  
1 1 1 13 29 2  o 120.1225 1.261499  144.4697       2.997311  144.7861       4.594476  144.2352       3.954766  0.2024994      2.522997  
1 1 1 13 29 3  o 44.02246 1.020280  19.36969       0.8970113 18.88302       1.230085  19.92240       1.310900  -1.177689      2.040560  
1 1 1 13 29 4  o 20.87273 1.791777  4.427964       0.7360543 5.248568       1.030353  3.572753       1.051856  4.015711       3.583554  
1 1 1 13 29 5  o 40.55367 1.055295  16.47463       0.8554810 16.97622       1.204884  15.96472       1.214843  1.247532       2.110591  
1 1 1 13 29 6  o 62.48153 0.9068340 39.09578       1.132721  39.51485       1.583985  38.65719       1.620455  0.6879807      1.813668  
1 1 1 13 29 7  o 81.99559 1.020832  67.31516       1.656191  67.04690       2.186117  67.67655       2.537348  -0.3607483     2.041665  
1 1 1 13 29 8  o 65.39075 0.8965266 42.81755       1.172222  42.12434       1.636446  43.54813       1.679954  -1.085724      1.793053  
1 1 1 13 29 9  f 124.5506 1.393821  155.9379       3.471610  158.9138       4.952706  153.0633       4.867597  2.336891       2.787643  
1 1 1 13 29 10 o 22.02262 1.748602  4.792612       0.7235910 4.605082       0.8756689 5.196325       1.284815  -1.264742      3.497204  
1 1 1 13 29 11 o 19.02058 1.977453  3.777950       0.6793112 3.875296       0.8281236 3.577697       1.187750  1.158556       3.954905  
1 1 1 13 29 12 o 53.11515 0.9977751 28.43452       0.9987013 28.57510       1.224307  28.15495       1.726554  0.4903183      1.995550  
1 1 1 13 29 13 o 36.69337 1.151533  13.42021       0.8025748 13.09410       0.9851753 14.06369       1.383868  -1.222080      2.303066  
1 1 1 13 29 14 o 16.95229 2.497681  2.547936       0.8085952 1.486746       0.9624546 5.094182       1.490850  -10.22256      4.995362  
1 1 1 13 29 15 o 20.42194 1.914780  4.136902       0.7628364 3.450186       0.9588585 5.320976       1.259086  -4.362360      3.829560  
1 1 1 13 29 16 f 9.390585 2.662836  0.5622767      0.7667013 0.8080688      0.9921969 0.1979915      1.207910  0.7427797      5.325673  
1 1 1 13 29 17 o 12.14201 2.643932  1.881384       0.7334523 2.270512       0.8177024 0.2795738      1.659031  4.239197       5.287865  
1 1 1 13 29 18 o 24.25896 2.287389  7.053229       0.9918589 8.255472       1.274108  5.203935       1.580204  7.149004       4.574778  
1 1 1 13 29 19 o 18.41337 2.792122  4.206459       1.043183  6.315752       1.558012  2.492412       1.404473  9.681916       5.584243  
1 1 1 13 30 0  o 113.4043 1.962546  130.5267       4.222973  133.9081       5.251396  124.3379       7.104477  0.000000       0.000000  
1 1 1 13 30 1  o 126.5973 1.207323  160.4685       3.056555  162.6927       4.361156  158.3211       4.285091  1.723366       2.414645  
1 1 1 13 30 2  o 64.49860 0.9314486 41.22459       1.194765  37.84094       1.589845  45.61494       1.810974  -6.019127      1.862897  
1 1 1 13 30 3  f 59.75485 0.9466205 35.71273       1.129615  35.25426       1.551247  36.23028       1.648190  -0.8132210     1.893241  
1 1 1 13 30 4  o 64.50101 1.012016  41.86802       1.293576  39.91488       1.940018  43.43153       1.735761  -2.734749      2.024032  
1 1 1 13 30 5  o 127.4077 1.310776  162.1322       3.291294  166.2267       5.139453  159.2856       4.285296  2.665977       2.621551  
1 1 1 13 30 6  o 121.9279 1.267006  148.6491       3.044726  146.5051       3.967620  151.7204       4.748654  -2.074829      2.534013  
1 1 1 13 30 7  o 128.8611 1.329524  167.1084       3.391605  170.0839       4.509736  163.2343       5.145880  2.717705       2.659047  
1 1 1 13 30 8  o 33.80301 1.106846  11.47688       0.7474416 10.97096       1.064838  11.96826       1.049415  -1.476791      2.213692  
1 1 1 13 30 9  o 57.67752 0.8784333 33.33724       1.013027  32.23359       1.422704  34.47226       1.442780  -1.938812      1.756867  
1 1 1 13 30 10 o 31.44418 1.243666  10.00427       0.7437456 10.14518       0.9228340 9.743114       1.256323  0.6921978      2.487332  
1 1 1 13 30 11 f 53.31209 1.049313  28.87045       1.100446  30.41423       1.455254  26.80876       1.681730  3.424694       2.098626  
1 1 1 13 30 12 o 19.38345 2.144183  4.057683       0.7685584 4.490564       0.9838549 3.379966       1.231037  3.267561       4.288365  
1 1 1 13 30 13 o 35.58606 1.393112  12.87124       0.9883547 13.61744       1.373185  12.06917       1.423671  2.192375       2.786224  
1 1 1 13 30 14 o 25.61806 1.528023  6.595103       0.7217599 6.454364       0.8630069 6.922637       1.316542  -0.7203140     3.056047  
1 1 1 13 30 15 o 38.67247 1.349079  15.27223       1.041208  15.82501       1.444102  14.67374       1.502623  1.518066       2.698157  
1 1 1 13 30 16 o 21.71181 1.996693  4.190893       0.7538968 3.453577       0.8496115 6.921309       1.634962  -7.062706      3.993386  
1 1 1 13 30 17 f 8.113921 2.532051  0.5737580E-01  0.7130278 0.9257225E-01  0.8202752 -0.5144126E-01 1.442310  -1.691646      5.064102  
1 1 1 13 30 18 f 11.36765 2.971346  1.532352       0.9036953 1.768252       1.152708  1.156133       1.455716  1.240124       5.942692  
1 1 1 13 30 19 o 12.86822 3.276692  2.474473       1.086508  2.135356       1.790049  2.672284       1.367151  -1.579502      6.553384  
1 1 1 13 31 0  o 11.17449 3.797412  1.825169       1.079637  2.557878       1.423583  0.8331993      1.656403  0.000000       0.000000  
1 1 1 13 31 1  o 88.41459 0.9808087 78.25043       1.734041  78.63873       2.478672  77.87823       2.426761  0.4279938      1.961617  
1 1 1 13 31 2  o 194.5135 1.865923  379.6810       7.175528  378.1188       9.449662  381.8083       11.02754  -0.8218231     3.731847  
1 1 1 13 31 3  o 40.32873 1.077946  16.28629       0.8692024 16.14975       1.212930  16.43044       1.246222  -0.3462791     2.155893  
1 1 1 13 31 4  o 35.76582 1.263546  12.71151       0.8968474 13.70718       1.374027  11.97246       1.183794  2.411327       2.527093  
1 1 1 13 31 5  o 84.59082 1.028414  71.73605       1.722045  71.98187       2.280183  71.40973       2.627197  0.3613739      2.056828  
1 1 1 13 31 6  o 38.98899 1.214757  15.29531       0.9075665 15.41949       1.134161  15.07424       1.513317  0.4750710      2.429515  
1 1 1 13 31 7  o 31.00710 1.191107  9.675214       0.7355892 9.962456       1.004745  9.343409       1.079874  1.006590       2.382214  
1 1 1 13 31 8  o 81.62830 1.437740  67.45795       1.949657  66.28495       4.117914  67.79686       2.213465  -1.200150      2.875479  
1 1 1 13 31 9  o 61.46090 0.8728487 37.71983       1.069403  36.09470       1.443788  39.69509       1.591741  -2.913307      1.745697  
1 1 1 13 31 10 o 15.32079 2.335261  2.358270       0.6684144 2.030634       0.8206077 3.004202       1.152213  -2.953243      4.670523  
1 1 1 13 31 11 o 57.70402 0.9955883 33.10281       1.093693  32.27090       1.345528  34.72275       1.877605  -2.019180      1.991177  
1 1 1 13 31 12 o 16.98411 2.280305  3.237228       0.7034917 3.651720       0.8686427 2.447164       1.199264  3.944475       4.560609  
1 1 1 13 31 13 o 28.94650 1.638319  8.470779       0.8748221 8.328902       1.047725  8.797420       1.589744  -0.5594482     3.276638  
1 1 1 13 31 14 o 26.88943 2.463070  7.408991       1.040523  7.239147       1.154106  8.146698       2.405258  -0.6135044     4.926139  
1 1 1 13 31 15 o 16.04843 2.327844  2.966870       0.7027932 3.458043       0.8837402 2.121805       1.159183  4.522321       4.655687  
1 1 1 13 31 16 o 9.739596 2.646416  0.8785143      0.7441137 1.293214       0.8348902 -0.7234606     1.640930  2.042601       5.292833  
1 1 1 13 31 17 o 9.051305 2.608129  0.5821248      0.7066389 0.5027588      0.8603992 0.7466021      1.238613  -1.442865      5.216258  
1 1 1 13 31 18 o 9.495364 2.563318  0.8080129      0.7785614 1.573530       0.9594306 -0.6681289     1.332295  3.758347       5.126637  
1 1 1 13 32 0  o 87.94395 1.421007  77.57867       2.495021  77.52419       3.469280  77.63705       3.590846  0.000000       0.000000  
1 1 1 13 32 1  f 52.31501 0.9727076 27.39955       1.017570  28.01532       1.454392  26.80908       1.424206  1.151245       1.945415  
1 1 1 13 32 2  o 63.26359 0.9420080 40.03032       1.191017  38.74691       1.646135  41.44024       1.725360  -2.124233      1.884016  
1 1 1 13 32 3  o 61.13955 0.9282937 37.43875       1.135064  36.98593       1.602277  37.89491       1.608185  -0.7430191     1.856587  
1 1 1 13 32 4  o 37.17673 1.348738  13.97029       0.9951305 15.08491       1.363750  12.70088       1.455368  3.214378       2.697475  
1 1 1 13 32 5  o 7.960530 2.550885  -0.7481498     0.7855116 -0.9996671     0.9265520 -0.1054482     1.481121  -3.550620      5.101770  
1 1 1 13 32 6  o 53.73373 0.9265764 28.93761       0.9957041 28.82386       1.399084  29.05434       1.417370  -0.2128716     1.853153  
1 1 1 13 32 7  o 43.22382 1.113311  18.52558       0.9204753 19.51630       1.565752  18.00235       1.137867  1.701920       2.226623  
1 1 1 13 32 8  f 34.76655 1.043705  12.12977       0.7257078 12.08051       1.027874  12.17873       1.024745  -0.1416283     2.087409  
1 1 1 13 32 9  o 13.83175 2.087996  1.972392       0.6329116 0.4170986      0.8756468 3.673781       0.9158505 -10.45998      4.175992  
1 1 1 13 32 10 o 18.80224 2.379020  4.222638       0.7422836 4.823939       0.8756244 2.686908       1.399360  6.096158       4.758040  
1 1 1 13 32 11 f 26.32504 1.876306  7.264616       0.9114940 7.607901       1.111037  6.557921       1.594102  2.179588       3.752612  
1 1 1 13 32 12 o 28.85759 1.711374  8.419393       0.9459229 8.230068       1.173580  8.770472       1.598125  -0.7587242     3.422748  
1 1 1 13 32 13 o 11.88161 2.684720  1.388831       0.7469417 0.7923732      1.009945  2.109023       1.109767  -4.015388      5.369440  
1 1 1 13 32 14 o 40.31992 1.266135  15.89941       0.8950843 15.26141       1.031440  17.84522       1.801294  -2.857723      2.532270  
1 1 1 13 32 15 o 56.57504 1.189161  32.51839       1.182127  32.34184       1.375197  33.01809       2.313551  -0.2956009E-01 2.378322  
1 1 1 13 32 16 o 22.75752 1.788331  5.425833       0.7525306 5.319965       0.9042031 5.664422       1.357408  -0.2268276     3.576662  
1 1 1 13 32 17 o 22.22677 2.041771  5.463810       0.8037733 5.460921       0.9454792 5.471341       1.526390  1.025059       4.083542  
1 1 1 13 32 18 o 19.13389 2.552867  4.286329       0.8777639 4.037990       1.045778  4.878376       1.614708  -0.2622128     5.105733  
1 1 1 13 33 0  o 27.77835 2.118609  7.966408       1.147809  7.082295       1.561535  9.005539       1.692907  0.000000       0.000000  
1 1 1 13 33 1  o 81.46265 0.9769971 66.47485       1.591710  66.86996       2.263496  66.08834       2.238743  0.4781647      1.953994  
1 1 1 13 33 2  o 84.80280 1.054692  71.74304       1.761047  70.29335       2.286392  73.85748       2.761271  -2.068527      2.109384  
1 1 1 13 33 3  f 45.33308 1.151004  21.06882       1.008430  22.71523       1.301681  18.59734       1.594826  4.565372       2.302008  
1 1 1 13 33 4  o 35.81723 1.277366  12.95618       0.8934754 13.25264       1.153168  12.51091       1.413267  1.063564       2.554732  
1 1 1 13 33 5  o 52.91995 0.9223524 28.06901       0.9760714 28.73667       1.385596  27.41131       1.375209  1.251312       1.844705  
1 1 1 13 33 6  o 64.28953 1.059802  41.53324       1.317612  41.21439       2.154157  41.72385       1.665500  -0.4499512     2.119603  
1 1 1 13 33 7  o 62.91724 0.8853763 39.64832       1.113608  41.12456       1.602230  38.26875       1.548883  2.264225       1.770753  
1 1 1 13 33 8  o 36.80752 0.9933601 13.53948       0.7294284 14.42108       1.079363  12.79840       0.9896066 2.192558       1.986720  
1 1 1 13 33 9  o 62.38733 0.8790671 39.03972       1.096310  40.40334       1.580262  37.77447       1.522200  2.097538       1.758134  
1 1 1 13 33 10 o 28.99879 1.583704  8.420282       0.7834126 8.313563       0.8960661 8.766463       1.613879  -0.5439072     3.167407  
1 1 1 13 33 11 o 7.034661 2.306818  -1.175018      0.7557200 -1.790826      0.9558023 -0.1480036     1.234336  -3.256151      4.613636  
1 1 1 13 33 12 o 11.68998 2.675159  1.477518       0.7521553 1.939259       0.8996499 0.4053124      1.370924  3.350616       5.350318  
1 1 1 13 33 13 o 18.75117 2.286844  3.931501       0.7767885 4.304030       0.9651609 3.246466       1.308808  3.402451       4.573688  
1 1 1 13 33 14 o 12.75038 2.715990  1.921889       0.7453640 2.248398       0.8495061 0.8297442      1.553671  3.266351       5.431980  
1 1 1 13 33 15 o 20.08750 2.005208  4.151326       0.7700462 3.767621       0.9419329 4.924525       1.337108  -2.382206      4.010417  
1 1 1 13 33 16 o 12.68392 2.681476  1.828411       0.7057436 1.580053       0.8720481 2.299842       1.201463  -2.066351      5.362953  
1 1 1 13 33 17 o 14.73263 2.938067  2.869155       0.8922963 3.061792       1.075144  2.442804       1.599485  2.556838       5.876134  
1 1 1 13 33 18 o 26.35659 1.963480  7.697670       1.009752  6.896009       1.272117  9.062958       1.660136  -3.115570      3.926959  
1 1 1 13 34 0  o 17.59507 4.049727  4.093193       1.185473  4.235699       1.375370  3.681366       2.338090  0.000000       0.000000  
1 1 1 13 34 1  o 71.95387 1.013403  51.81678       1.442134  51.35244       1.898858  52.44965       2.216837  -0.7355194     2.026806  
1 1 1 13 34 2  o 100.2832 1.053817  100.8493       2.113554  100.9635       2.979762  100.7337       2.998359  0.1163635      2.107635  
1 1 1 13 34 3  o 106.8752 1.189535  114.7674       2.510834  115.3718       3.305077  113.9424       3.861127  0.7312012      2.379071  
1 1 1 13 34 4  o 77.40260 1.004141  59.74672       1.535737  62.19896       2.383480  58.00597       2.008152  2.670631       2.008283  
1 1 1 13 34 5  o 79.84033 0.9491717 63.88263       1.515233  62.42857       2.113407  65.42068       2.173587  -1.867790      1.898343  
1 1 1 13 34 6  o 8.440983 2.370153  0.3713679      0.6033438 0.5806400      0.8526577 0.1615064      0.8538576 1.079846       4.740306  
1 1 1 13 34 7  o 81.27962 0.9393344 66.23850       1.526413  64.80386       2.123704  67.77169       2.195432  -1.816879      1.878669  
1 1 1 13 34 8  o 63.80949 0.9599693 40.89695       1.212313  40.97718       1.853757  40.83699       1.602497  0.6665039E-01  1.919939  
1 1 1 13 34 9  o 42.33772 1.047007  18.05512       0.8801989 17.89877       1.323340  18.17916       1.178748  -0.3621101     2.094015  
1 1 1 13 34 10 o 38.51886 1.040032  14.82242       0.7981048 13.31707       1.078593  16.64400       1.186488  -4.294521      2.080063  
1 1 1 13 34 11 o 32.64690 1.597113  10.76989       0.8768017 10.69142       0.9981279 11.03509       1.834923  -0.1852112     3.194225  
1 1 1 13 34 12 o 51.88585 1.283736  27.63570       1.229974  28.23851       1.488284  26.33690       2.184569  2.083214       2.567472  
1 1 1 13 34 13 o 22.28364 1.802298  5.098713       0.7530444 5.035354       0.9161195 5.230710       1.322298  -0.1744785     3.604596  
1 1 1 13 34 14 o 19.09575 2.157375  3.397970       0.7499734 2.129801       0.9003156 6.272905       1.355564  -10.57019      4.314751  
1 1 1 13 34 15 o 47.52125 1.106090  23.09877       1.005084  23.08936       1.251334  23.11588       1.687243  0.2895813      2.212181  
1 1 1 13 34 16 o 18.36223 2.634973  4.238209       0.8220617 4.499857       0.9524518 3.474020       1.627741  4.367579       5.269945  
1 1 1 13 34 17 o 14.43745 3.022445  2.741507       0.9195859 2.832572       1.124581  2.557736       1.597546  1.466910       6.044889  
1 1 1 13 35 0  o 28.26044 1.970803  8.314061       1.077684  8.620160       1.427359  7.908211       1.643556  0.000000       0.000000  
1 1 1 13 35 1  o 17.41417 2.223868  3.141415       0.7492388 2.429851       1.040136  3.908802       1.080165  -4.502995      4.447735  
1 1 1 13 35 2  o 96.55666 1.128526  92.61263       2.125927  89.38428       2.700954  97.86942       3.446577  -4.307571      2.257053  
1 1 1 13 35 3  o 51.26700 1.220446  26.40610       1.248179  26.30484       1.829823  26.49422       1.706958  -0.2004585     2.440892  
1 1 1 13 35 4  o 92.09517 1.096558  85.18463       1.999380  84.68266       3.046950  85.56422       2.649607  -0.5249710     2.193116  
1 1 1 13 35 5  o 63.25132 0.9933396 40.11170       1.244201  40.36324       1.900211  39.92294       1.646142  0.3175125      1.986679  
1 1 1 13 35 6  o 46.28084 0.9440467 21.48636       0.8736904 20.96192       1.227117  22.02553       1.244230  -1.146950      1.888093  
1 1 1 13 35 7  o 30.89149 1.130332  9.604370       0.6983363 9.602197       0.9841368 9.606573       0.9910932 -0.5681992E-02 2.260665  
1 1 1 13 35 8  o 18.13354 1.880958  3.443250       0.6509760 2.674083       0.9234129 4.203177       0.9178504 -4.449829      3.761915  
1 1 1 13 35 9  o 42.03139 1.009807  17.73689       0.8458783 17.35688       1.143808  18.19557       1.256642  -0.9737091     2.019614  
1 1 1 13 35 10 o 23.69281 3.214488  6.375672       0.9537832 6.463113       1.014932  5.714914       2.789988  3.112276       6.428975  
1 1 1 13 35 11 o 40.35210 1.415480  16.25785       0.9744026 15.99720       1.113717  17.10858       2.012042  -1.025349      2.830960  
1 1 1 13 35 12 o 44.35826 1.179672  19.96267       1.017790  19.94119       1.296830  19.99710       1.642360  0.8994675E-01  2.359344  
1 1 1 13 35 13 o 37.62857 1.241238  14.19180       0.8809473 13.79619       1.073025  15.00983       1.542988  -1.391502      2.482476  
1 1 1 13 35 14 o 23.45593 1.838022  5.274276       0.8193127 4.019222       0.9910398 7.984214       1.456263  -7.914970      3.676044  
1 1 1 13 35 15 o 9.895901 2.686321  0.7994348      0.7358922 0.3899970      0.9217936 1.518936       1.221956  -3.303033      5.372642  
1 1 1 13 35 16 o 9.059765 2.744844  0.4621213      0.8673191 0.7212688      1.038245  -0.1363898     1.577839  0.2101889      5.489688  
1 1 1 13 35 17 o 9.812513 2.857742  0.8426374      0.9967660 1.777521       1.300260  -0.4897431     1.552264  3.349164       5.715484  
1 1 1 13 36 0  o 38.00036 1.658084  14.46458       1.240070  12.33438       1.654299  17.19681       1.873540  0.000000       0.000000  
1 1 1 13 36 1  o 107.4275 1.265296  115.9147       2.715796  114.9049       3.749865  117.0287       3.938504  -0.9630508     2.530592  
1 1 1 13 36 2  f 107.8688 1.183571  116.4235       2.519986  119.5379       3.914806  114.2200       3.292927  2.384354       2.367141  
1 1 1 13 36 3  o 146.5047 1.470631  216.3286       4.271266  215.2278       6.474015  217.1770       5.683802  -0.8034668     2.941261  
1 1 1 13 36 4  o 77.29475 0.9413109 59.93794       1.455161  60.19319       2.060829  59.68414       2.055000  0.3285904      1.882622  
1 1 1 13 36 5  o 92.68188 1.002550  86.18894       1.857762  88.38362       2.668772  84.12565       2.587651  2.285698       2.005099  
1 1 1 13 36 6  o 40.77786 0.9954993 16.73694       0.8107113 16.06041       1.161722  17.37918       1.131897  -1.622433      1.990999  
1 1 1 13 36 7  o 25.90994 1.395492  6.769966       0.7182258 6.652978       0.9577076 6.920329       1.085749  -0.4808407     2.790984  
1 1 1 13 36 8  o 44.62654 1.019835  19.91879       0.9010358 19.23651       1.183882  20.85810       1.389090  -1.772736      2.039670  
1 1 1 13 36 9  o 23.37535 2.252245  6.005236       0.8163832 6.231859       0.9257196 5.212270       1.731628  2.894222       4.504489  
1 1 1 13 36 10 o 23.94014 1.462839  5.867429       0.6958446 5.305676       1.007326  6.380149       0.9623595 -2.262918      2.925679  
1 1 1 13 36 11 o 35.73079 1.290486  12.93995       0.9039138 12.83663       1.166238  13.09540       1.430520  -0.2499161     2.580972  
1 1 1 13 36 12 o 20.18222 2.013428  4.100633       0.7812187 3.725660       0.9620652 4.826516       1.338561  -2.430199      4.026856  
1 1 1 13 36 13 o 38.81052 1.205253  15.28479       0.8920489 15.01477       1.102367  15.79704       1.518338  -0.7349358     2.410506  
1 1 1 13 36 14 o 8.075173 2.539237  -0.1194050     0.7883584 -0.1624845     0.9744487 -0.3778626E-01 1.341277  -1.387684      5.078475  
1 1 1 13 36 15 o 14.22843 2.902392  2.661756       0.8632409 2.934117       1.005251  1.896862       1.684620  3.395086       5.804785  
1 1 1 13 36 16 o 9.733894 3.095857  0.2135512      1.251180  -0.3041517     2.062043  0.5152141      1.574049  -0.8623219E-01 6.191715  
1 1 1 13 37 0  o 33.31941 1.745462  10.96530       1.129725  8.897402       1.455987  14.09374       1.790842  0.000000       0.000000  
1 1 1 13 37 1  o 55.61390 1.053706  31.20725       1.150924  30.21684       1.791269  31.90360       1.501982  -1.555717      2.107411  
1 1 1 13 37 2  o 52.08015 1.028701  27.37613       1.063102  25.87629       1.580054  28.61671       1.437013  -2.650131      2.057402  
1 1 1 13 37 3  o 49.37670 0.9486408 24.46539       0.9366939 25.01069       1.329704  23.92825       1.319723  1.094803       1.897282  
1 1 1 13 37 4  o 15.29003 2.281552  2.497887       0.6753762 2.225198       0.9809886 2.743603       0.9312070 -1.713223      4.563104  
1 1 1 13 37 5  o 30.01742 1.213494  9.078499       0.7279394 9.062389       1.009154  9.095974       1.051046  -0.4663277E-01 2.426988  
1 1 1 13 37 6  o 15.44116 2.142594  2.497482       0.6483021 2.151038       0.9113594 2.852384       0.9224162 -2.528071      4.285188  
1 1 1 13 37 7  o 55.12061 0.9191028 30.52518       1.013001  31.44037       1.446467  29.64427       1.419124  1.623951       1.838206  
1 1 1 13 37 8  o 29.73292 1.274865  9.001197       0.7500096 9.495847       1.007921  8.387494       1.122683  1.897160       2.549730  
1 1 1 13 37 9  o 71.93880 0.9315627 52.05003       1.339139  50.71721       1.847638  53.52501       1.943666  -1.926201      1.863125  
1 1 1 13 37 10 o 34.77032 1.667694  12.09270       0.9284601 12.83371       2.093821  11.91134       1.035870  0.8359985      3.335387  
1 1 1 13 37 11 o 18.43721 2.072830  3.434674       0.7423536 3.103150       0.9277139 4.024856       1.237797  -2.268480      4.145659  
1 1 1 13 37 12 o 29.64590 1.566081  9.321590       0.8652595 9.939728       1.070248  8.155177       1.470175  3.250465       3.132163  
1 1 1 13 37 13 o 37.17159 1.234206  14.08529       0.8931094 13.68550       1.132854  14.74183       1.451738  -1.163895      2.468412  
1 1 1 13 37 14 o 13.45358 3.117348  2.126608       0.9627287 1.585951       1.236500  2.958894       1.534155  -3.468815      6.234697  
1 1 1 13 37 15 o 10.96293 3.134741  1.203189       1.044663  1.006973       1.338323  1.509189       1.671300  -1.336799      6.269482  
1 1 1 13 37 16 o 10.13899 2.992165  1.072528       0.9993100 1.075433       1.285337  1.068089       1.588928  -0.3094959     5.984330  
1 1 1 13 38 0  o 7.134316 3.068321  -0.3508136E-01 0.9363855 1.303530       1.291650  -1.517904      1.359447  0.000000       0.000000  
1 1 1 13 38 1  o 61.32110 0.9830601 37.77557       1.196623  37.81619       1.806348  37.74380       1.597408  0.2367401E-01  1.966120  
1 1 1 13 38 2  o 37.26181 1.108535  13.97911       0.8244054 15.14409       1.174235  12.84669       1.157712  3.079460       2.217069  
1 1 1 13 38 3  o 18.47077 2.351379  3.939606       0.7935296 2.280521       1.245552  5.073051       1.029503  -7.799603      4.702758  
1 1 1 13 38 4  o 43.12760 1.128133  18.69813       0.9437835 18.84984       1.536860  18.60628       1.195829  0.2093964      2.256266  
1 1 1 13 38 5  o 58.58336 1.025004  34.59782       1.180946  34.21758       1.840477  34.86393       1.539705  -0.6178627     2.050007  
1 1 1 13 38 6  o 29.48318 1.268445  8.830531       0.7431868 7.959701       1.073807  9.631186       1.029634  -2.846409      2.536890  
1 1 1 13 38 7  o 21.31957 1.767683  4.589952       0.7498158 4.109364       1.003118  5.198477       1.128768  -2.503002      3.535367  
1 1 1 13 38 8  o 33.29474 1.135772  11.19831       0.7562717 11.15692       1.063782  11.24061       1.075371  -0.1220016     2.271545  
1 1 1 13 38 9  o 21.36653 2.054549  4.995847       0.8004419 3.992137       1.294437  5.617269       1.018521  -4.226950      4.109097  
1 1 1 13 38 10 o 39.26929 1.065901  15.59101       0.8364197 15.93018       1.213077  15.28364       1.154824  0.8001137      2.131802  
1 1 1 13 38 11 o 50.14051 1.035045  25.27426       1.005979  26.09352       1.649962  24.78953       1.269160  1.148117       2.070089  
1 1 1 13 38 12 f 9.525676 2.750840  0.5495836      0.8591747 1.027178       1.097586  -0.2061286     1.380662  1.656372       5.501680  
1 1 1 13 38 13 o 30.72451 1.494199  10.32543       0.8642734 11.88817       1.113459  7.956803       1.370819  6.646038       2.988398  
1 1 1 13 38 14 o 32.99495 2.353322  12.01211       1.282214  11.72465       1.452551  13.02663       2.728831  0.5457954      4.706645  
1 1 1 13 38 15 o 13.76556 2.990147  2.493469       1.056994  3.827388       1.396032  0.7015225      1.618055  7.267452       5.980294  
1 1 1 13 39 0  o 12.58252 3.269786  2.312375       0.9381498 3.360172       1.224422  0.8227670      1.459918  0.000000       0.000000  
1 1 1 13 39 1  o 29.85176 1.297618  9.033302       0.7706571 9.490063       1.055104  8.510948       1.128325  1.658442       2.595236  
1 1 1 13 39 2  o 43.03759 1.089505  18.52931       0.9226011 18.00163       1.193990  19.31126       1.453450  -1.463425      2.179011  
1 1 1 13 39 3  o 37.15781 1.132837  13.92081       0.8414018 14.44107       1.189071  13.39905       1.190775  1.402580       2.265674  
1 1 1 13 39 4  o 6.337040 2.086536  -1.041031      0.6747471 -0.3039266     0.9317728 -1.853765      0.9784074 1.762143       4.173072  
1 1 1 13 39 5  o 24.15189 1.560320  5.930030       0.7517693 5.766661       1.093738  6.076328       1.035016  -0.6610012     3.120640  
1 1 1 13 39 6  o 7.780870 2.382319  -0.2551539     0.7280002 0.4037118      0.9646498 -1.126894      1.109596  2.037952       4.764639  
1 1 1 13 39 7  o 6.761569 2.162739  -0.5689493     0.6416038 -0.2099842E-01 0.9226457 -1.082045      0.8928187 1.828365       4.325478  
1 1 1 13 39 8  o 39.01070 1.123331  15.43059       0.8657733 14.97632       1.320948  15.77269       1.146316  -1.076038      2.246662  
1 1 1 13 39 9  o 14.03226 2.460567  2.146916       0.6971018 2.799754       1.023585  1.582194       0.9520037 3.956056       4.921134  
1 1 1 13 39 10 o 19.96595 1.766698  4.123265       0.6995673 4.857246       1.013534  3.455419       0.9667950 3.477533       3.533396  
1 1 1 13 39 11 o 38.62817 1.108972  15.22348       0.8549552 14.84693       1.240382  15.56430       1.180052  -0.9649239     2.217944  
1 1 1 13 39 12 o 38.45621 1.375947  15.40751       1.018851  15.64972       1.286142  14.99941       1.669447  1.198502       2.751894  
1 1 1 13 39 13 o 13.37920 3.147104  2.235331       0.9859782 2.390963       1.273892  2.002796       1.557137  1.058811       6.294209  
1 1 1 13 39 14 o 19.43798 3.509442  4.359318       1.146539  3.727642       1.274626  7.036879       2.624252  -3.899385      7.018885  
1 1 1 13 39 15 f 18.43868 3.023313  5.662974       1.260690  7.147269       1.499534  2.084666       2.328279  12.67977       6.046627  
1 1 1 13 40 0  o 41.49108 1.471215  17.64110       1.199411  19.13263       1.624578  15.85401       1.778268  0.000000       0.000000  
1 1 1 13 40 1  o 49.45994 0.9838586 24.49739       0.9710061 22.99738       1.320274  26.26465       1.433071  -3.279591      1.967717  
1 1 1 13 40 2  o 50.24277 0.9743762 25.39078       0.9789566 25.70322       1.378366  25.07275       1.390623  0.6299629      1.948752  
1 1 1 13 40 3  f 34.43146 1.162596  11.95738       0.8002170 12.39905       1.133049  11.51785       1.130311  1.278950       2.325192  
1 1 1 13 40 4  o 62.25479 1.079878  39.63976       1.321419  43.30719       1.768938  35.00933       1.987662  6.718273       2.159755  
1 1 1 13 40 5  o 32.52389 1.345878  10.67053       0.8735285 11.59506       1.284223  9.874449       1.191674  2.613096       2.691755  
1 1 1 13 40 6  o 29.08979 1.247448  8.529113       0.7240405 9.290635       1.066219  7.877426       0.9863361 2.400333       2.494895  
1 1 1 13 40 7  o 14.81681 2.428208  2.413830       0.7029507 2.134275       1.069319  2.626579       0.9328426 -1.691914      4.856416  
1 1 1 13 40 8  o 73.31472 0.9651809 54.20205       1.414136  56.68408       2.048018  51.94035       1.955003  3.201218       1.930362  
1 1 1 13 40 9  o 31.25096 1.213528  9.936005       0.7578177 9.660742       1.084152  10.19899       1.059699  -0.8729839     2.427056  
1 1 1 13 40 10 o 14.38291 2.654299  2.342340       0.7714615 2.342346       1.080360  2.342334       1.101984  0.1649284E-01  5.308598  
1 1 1 13 40 11 o 16.52766 2.518716  3.234117       0.8096606 2.502465       1.275098  3.728420       1.048064  -4.206146      5.037432  
1 1 1 13 40 12 o 25.69493 3.245606  8.746721       1.166746  9.111707       1.285280  7.037262       2.781573  7.491365       6.491212  
1 1 1 13 40 13 o 27.10656 2.325265  8.355247       1.257786  7.949034       1.710457  8.833531       1.856000  -1.319113      4.650530  
1 1 1 13 40 14 o 9.957191 3.093105  0.4949478      1.200448  1.033000       1.450218  -0.6762116     2.139582  0.9568453      6.186210  
1 1 1 13 41 0  o 8.925102 3.532586  1.144861       0.9082650 1.105022       1.141241  1.213692       1.500064  0.000000       0.000000  
1 1 1 13 41 1  o 33.95477 1.237773  11.64625       0.8384411 11.63940       1.145748  11.65414       1.230223  0.2883911E-02  2.475546  
1 1 1 13 41 2  o 39.15694 1.183407  15.45147       0.9178846 15.27463       1.213736  15.68772       1.402880  -0.4731407     2.366813  
1 1 1 13 41 3  o 27.07087 1.350005  7.408439       0.7298591 7.080677       0.9998342 7.782330       1.067876  -1.271883      2.700011  
1 1 1 13 41 4  o 19.14539 2.287323  3.602204       0.8235723 3.012922       1.001651  4.831903       1.446952  -4.701324      4.574646  
1 1 1 13 41 5  o 31.76302 1.266984  10.21954       0.8042536 10.22321       1.160162  10.21614       1.115901  -0.4878998E-02 2.533967  
1 1 1 13 41 6  o 20.07727 1.849277  4.137401       0.7412052 4.330626       1.089180  3.970734       1.011563  0.8529377      3.698555  
1 1 1 13 41 7  o 30.80927 1.259388  9.661232       0.7752001 9.337064       1.108724  9.971265       1.084282  -1.040764      2.518776  
1 1 1 13 41 8  o 25.59451 1.437487  6.703674       0.7344732 6.183757       1.029201  7.243245       1.048471  -2.058735      2.874975  
1 1 1 13 41 9  o 52.46224 1.081284  28.03910       1.116205  27.21416       1.726793  28.63118       1.462924  -1.474052      2.162569  
1 1 1 13 41 10 o 63.17381 0.9951978 40.56739       1.256632  42.49975       1.810199  38.76999       1.745841  2.911636       1.990396  
1 1 1 13 41 11 o 39.83794 1.381721  17.04037       1.044352  18.75316       1.330804  14.29466       1.684957  5.924683       2.763443  
1 1 1 13 41 12 o 14.39929 3.062265  3.059484       1.041735  3.607295       1.129218  -0.7071248E-01 2.699281  6.520604       6.124529  
1 1 1 13 41 13 f 7.542242 2.517908  -0.9950418     1.000835  -0.4943332     1.427869  -1.478627      1.403241  1.079563       5.035817  
1 1 1 13 41 14 o 9.204521 2.776225  0.4155400      0.9735877 -0.7449418     1.381576  1.560312       1.372193  -3.512812      5.552450  
1 1 1 13 42 0  o 8.863210 3.650363  1.058558       1.073436  1.499677       1.198617  -0.7285516     2.412561  0.000000       0.000000  
1 1 1 13 42 1  o 32.03203 1.367430  10.53937       0.8652540 9.232422       1.270825  11.66881       1.181374  -3.837917      2.734860  
1 1 1 13 42 2  o 30.84133 1.392076  9.763456       0.8415629 9.094323       1.301140  10.24470       1.103444  -1.943478      2.784152  
1 1 1 13 42 3  o 55.42296 1.178435  31.02685       1.298842  30.75351       1.743072  31.36809       1.947577  -0.4860382     2.356871  
1 1 1 13 42 4  o 44.69752 1.227569  20.24006       1.073065  20.15403       1.703489  20.29665       1.381642  -0.2733536     2.455137  
1 1 1 13 42 5  o 40.32552 1.214126  16.61732       0.9610088 15.87443       1.491439  17.14473       1.256663  -1.676464      2.428252  
1 1 1 13 42 6  o 14.13251 2.566181  1.979149       0.7393955 3.366870       1.227198  1.188292       0.9264292 6.716638       5.132361  
1 1 1 13 42 7  o 23.90718 1.562925  5.872463       0.7463121 5.476309       1.044247  6.286077       1.067010  -1.679262      3.125849  
1 1 1 13 42 8  o 21.62222 1.852724  4.877721       0.8008437 5.052995       1.135079  4.703992       1.130065  0.8029194      3.705448  
1 1 1 13 42 9  o 28.47438 1.563695  8.472508       0.8652430 8.372052       1.391551  8.535825       1.104768  -0.5625324     3.127391  
1 1 1 13 42 10 o 7.911417 2.619706  -0.7380959     0.9053288 -0.7126221     1.050770  -0.8114843     1.783505  -2.162219      5.239413  
1 1 1 13 42 11 o 17.83035 2.934595  3.853241       0.9541422 3.855103       1.115297  3.848159       1.842702  1.789236       5.869191  
1 1 1 13 42 12 o 23.65405 2.613280  6.863733       1.145693  8.049109       1.523104  5.318972       1.738731  6.616529       5.226560  
1 1 1 13 42 13 o 18.14563 2.894894  4.286642       1.032155  5.107953       1.484959  3.518953       1.435666  4.083303       5.789787  
1 1 1 13 43 0  o 43.27423 1.544957  19.06632       1.309352  19.11459       1.711075  18.99812       2.033893  0.000000       0.000000  
1 1 1 13 43 1  o 41.70772 1.276074  17.49214       1.056468  16.50595       1.396143  18.81336       1.615994  -2.680397      2.552149  
1 1 1 13 43 2  o 25.07671 1.511350  6.398277       0.7564611 6.959445       1.107463  5.907450       1.035731  2.061714       3.022701  
1 1 1 13 43 3  o 30.99014 1.351130  9.818650       0.8345140 9.019733       1.191699  10.58741       1.168991  -2.540707      2.702259  
1 1 1 13 43 4  o 14.77217 2.611775  2.371696       0.7698131 2.946561       1.170130  1.933020       1.022170  3.087884       5.223549  
1 1 1 13 43 5  o 30.14136 1.337211  9.194216       0.8014777 9.853448       1.214048  8.684960       1.067048  1.863609       2.674422  
1 1 1 13 43 6  o 24.49897 1.586444  6.185701       0.7742840 5.623130       1.102160  6.733892       1.087983  -2.275600      3.172889  
1 1 1 13 43 7  o 30.40149 1.303540  9.389398       0.7880596 10.15311       1.194420  8.800650       1.048711  2.129423       2.607079  
1 1 1 13 43 8  o 11.96831 2.776428  1.629375       0.7669652 1.648239       1.077469  1.610000       1.091981  0.1090174      5.552857  
1 1 1 13 43 9  o 14.31481 3.207271  2.355701       0.9325895 2.202124       1.072377  2.832276       1.889078  -1.239487      6.414541  
1 1 1 13 43 10 o 16.42617 2.869130  3.114927       0.8726750 2.840425       1.034681  3.791455       1.624341  -1.563576      5.738259  
1 1 1 13 43 11 o 12.10263 3.322790  1.572441       1.081394  1.125866       1.302482  2.563300       1.940128  -3.197388      6.645579  
1 1 1 13 43 12 o 10.90221 3.061726  1.304301       0.9958360 1.364183       1.398624  1.242728       1.418230  0.2260208      6.123451  
1 1 1 13 43 13 o 9.427778 2.827404  0.5954454      0.9608538 1.559838       1.414421  -0.2309983     1.309357  3.122590       5.654809  
1 1 1 13 44 0  f 83.85548 1.940217  71.21889       2.972831  73.55219       5.459658  70.23554       3.544337  0.000000       0.000000  
1 1 1 13 44 1  o 54.97882 1.151891  30.50902       1.238474  31.22843       1.979547  30.04631       1.587552  0.9136887      2.303782  
1 1 1 13 44 2  o 11.88123 2.717556  1.440340       0.7546835 0.9374738      1.025403  2.034662       1.114754  -3.327573      5.435111  
1 1 1 13 44 3  o 59.97652 1.114721  36.44397       1.336661  37.52902       1.921176  35.42592       1.860911  1.726803       2.229442  
1 1 1 13 44 4  o 34.99084 1.316400  12.55314       0.9141257 13.24743       1.241483  11.73097       1.350986  2.223152       2.632800  
1 1 1 13 44 5  o 39.51752 1.149232  15.84406       0.9073259 15.64505       1.251249  16.06475       1.317628  -0.4999275     2.298464  
1 1 1 13 44 6  o 31.97966 1.310935  10.49045       0.8354611 9.323505       1.154901  11.77154       1.210069  -3.785969      2.621870  
1 1 1 13 44 7  f 47.09315 1.039172  22.62256       0.9787108 22.51298       1.388673  22.73071       1.379583  -0.2373657     2.078343  
1 1 1 13 44 8  o 12.20346 3.158293  1.447859       0.9057444 1.134021       1.049708  2.362425       1.791940  -3.446415      6.316586  
1 1 1 13 44 9  o 37.59194 1.702710  14.79337       1.093281  14.56929       1.254017  15.50321       2.232003  0.9654999E-02  3.405420  
1 1 1 13 44 10 f 11.99051 3.011478  1.717157       1.050980  2.720749       1.308906  -0.1040527     1.763233  5.157001       6.022955  
1 1 1 13 44 11 o 8.131718 2.663192  -0.6803256     1.028002  -1.320998      1.374658  0.1325668      1.548436  -2.105791      5.326384  
1 1 1 13 44 12 o 11.40086 3.142515  1.760276       1.030436  1.816298       1.535945  1.714425       1.389541  0.2150316      6.285030  
1 1 1 13 45 0  o 33.64606 1.940069  11.62599       1.270742  10.95941       1.646300  12.60852       1.998740  0.000000       0.000000  
1 1 1 13 45 1  o 50.52981 1.109949  25.89496       1.120619  25.07537       1.602650  26.67901       1.567523  -1.601650      2.219898  
1 1 1 13 45 2  o 10.12300 2.696470  0.8888009      0.7424533 0.9104664      1.070308  0.8687059      1.030782  0.1972876      5.392940  
1 1 1 13 45 3  o 9.397870 2.756538  0.4412597      0.8302064 0.3369570      1.374559  0.5011595      1.041665  0.6121769      5.513076  
1 1 1 13 45 4  o 12.56703 2.891119  1.815043       0.8323561 1.507483       1.363234  1.997854       1.051009  -1.236177      5.782239  
1 1 1 13 45 5  o 6.862864 2.228033  -0.5952679     0.7101599 -0.2484607     0.9832782 -0.9734319     1.026768  0.8666596      4.456065  
1 1 1 13 45 6  o 17.51969 2.336593  3.458490       0.7960424 3.205374       1.174636  3.673472       1.082543  -1.792786      4.673185  
1 1 1 13 45 7  o 35.82968 1.876681  14.01298       1.154633  14.33029       1.341980  13.10853       2.265645  2.860176       3.753363  
1 1 1 13 45 8  o 23.65589 2.036885  6.079278       0.8761003 6.039512       1.044949  6.173377       1.607427  0.5913391      4.073769  
1 1 1 13 45 9  o 10.62922 3.163302  0.8453392      1.091492  0.4620710      1.343305  1.590075       1.872511  -2.642721      6.326604  
1 1 1 13 45 10 o 27.45414 3.044163  0.000000       0.000000  ?              ?         8.518980       1.671498  ?              ?         
1 1 1 13 45 11 o 16.45189 3.676788  3.771311       1.240058  6.156428       2.388713  2.891388       1.450880  4.736420       7.353576  
1 1 1 13 46 0  o 23.42843 2.931036  6.039182       1.229985  4.827174       1.599646  7.792140       1.923787  0.000000       0.000000  
1 1 1 13 46 1  o 20.15399 2.033352  4.297188       0.7999331 4.134396       1.018605  4.559144       1.292117  -0.7252083     4.066704  
1 1 1 13 46 2  o 27.31018 1.490264  7.737539       0.8113822 8.573115       1.164695  6.949634       1.130983  2.942055       2.980527  
1 1 1 13 46 3  o 36.48832 1.266072  13.70434       0.9235387 13.29482       1.308936  14.11030       1.303244  -1.122055      2.532145  
1 1 1 13 46 4  o 17.07506 2.328007  3.311337       0.7713223 2.496936       1.095009  4.113378       1.086668  -4.986095      4.656015  
1 1 1 13 46 5  o 10.77514 2.891335  1.120584       0.8507337 0.8893518      1.116926  1.440098       1.312941  -1.611390      5.782670  
1 1 1 13 46 6  o 9.850679 2.944128  0.6186862      0.8952634 0.6237893      1.030101  0.6029317      1.809957  -1.573675      5.888256  
1 1 1 13 46 7  o 23.30264 2.805718  7.989597       1.033742  9.765103       1.223272  3.554172       1.933435  14.49383       5.611437  
1 1 1 13 46 8  o 21.17267 3.292970  5.464326       1.432857  9.395550       2.313429  3.017703       1.825055  12.96689       6.585939  
1 1 1 13 46 9  o 17.13644 2.778126  3.566638       1.100300  6.552775       1.633397  1.085929       1.488760  13.12630       5.556251  
1 1 1 13 46 10 o 21.70027 2.812893  6.117580       1.183757  6.790309       1.646782  5.398311       1.702792  3.766497       5.625786  
1 1 1 13 47 0  o 8.573001 3.489005  0.6620197      1.152767  2.161194       1.532121  -1.293964      1.750047  0.000000       0.000000  
1 1 1 13 47 1  o 24.76850 1.690058  6.471327       0.8342870 7.135055       1.189165  5.827977       1.170770  2.617842       3.380116  
1 1 1 13 47 2  o 39.03714 1.187392  15.64305       0.9269447 15.35876       1.309373  15.92867       1.312428  -0.7275543     2.374784  
1 1 1 13 47 3  o 27.49825 1.704734  8.048649       0.9223972 8.374977       1.218669  7.610953       1.411379  1.614462       3.409468  
1 1 1 13 47 4  o 29.34291 1.574553  9.226695       0.9046071 10.19262       1.210428  8.004678       1.361466  3.907892       3.149107  
1 1 1 13 47 5  o 26.48871 2.871833  9.222633       1.059860  9.834835       1.182754  6.727449       2.387803  8.494778       5.743665  
1 1 1 13 47 6  o 29.05459 2.478564  9.754158       1.267230  9.783878       1.491253  9.676925       2.403950  2.137001       4.957129  
1 1 1 13 47 7  o 18.61059 3.302590  5.008030       1.122784  5.289622       1.242324  3.752431       2.623318  6.482400       6.605180  
1 1 1 13 47 8  o 15.01775 3.796574  3.363300       1.459509  3.716580       1.988003  2.950264       2.149568  1.666349       7.593149  
1 1 1 13 47 9  o 15.40723 3.925196  4.126440       1.542887  3.839504       2.072673  4.483037       2.310610  -0.7511654     7.850392  
1 1 1 13 48 0  o 8.207146 3.812317  0.4876296      1.416409  0.6866801      1.644359  -0.8473165E-01 2.788369  0.000000       0.000000  
1 1 1 13 48 1  o 26.10417 1.899664  7.360726       0.9908335 7.698236       1.400374  7.022368       1.402128  1.297159       3.799328  
1 1 1 13 48 2  o 13.93392 2.690383  2.213953       0.8857058 3.907457       1.285393  0.6829888      1.222153  8.640381       5.380766  
1 1 1 13 48 3  o 10.74881 3.117841  0.9099600      1.011487  0.5820565      1.229478  1.596702       1.779281  -2.708992      6.235682  
1 1 1 13 48 4  o 18.25979 3.289018  4.258070       1.183083  3.694083       1.508188  5.160303       1.907570  -2.692335      6.578036  
1 1 1 13 48 5  o 9.063737 2.914845  -0.2252384     1.177379  0.4082741      1.503541  -1.229553      1.893096  0.9879723      5.829690  
1 1 1 13 48 6  o 8.876902 2.894461  -0.5177606     1.229841  -1.534297      1.810772  0.3526719      1.675598  -1.657792      5.788921  
1 1 1 13 48 7  o 19.76788 3.303156  5.101146       1.281024  6.570496       1.995206  4.070626       1.670912  5.016283       6.606312  
1 1 1 13 48 8  o 19.73976 3.348670  5.421278       1.297041  7.247226       2.067348  4.235985       1.665644  5.583076       6.697340  
1 1 1 13 49 0  o 38.19023 2.821453  17.43827       1.711977  18.67387       1.994652  13.98199       3.336040  0.000000       0.000000  
1 1 1 13 49 1  o 13.05475 3.243594  2.132499       1.077759  2.976198       1.576606  1.392380       1.476661  3.614280       6.487188  
1 1 1 13 49 2  o 30.10895 2.788239  11.45557       1.488118  14.02172       1.955047  7.920914       2.294512  11.26303       5.576479  
1 1 1 13 49 3  o 9.916878 3.104622  0.8280130E-01  1.177818  -0.6878146     1.465435  1.488987       1.979560  -3.818540      6.209244  
1 1 1 13 49 4  o 12.03055 3.516326  1.698218       1.348755  1.799251       2.215435  1.638719       1.700131  0.5597448      7.032651  
1 1 1 13 49 5  o 30.31665 2.607959  9.772205       1.495271  15.35609       2.682595  7.255383       1.800998  11.10408       5.215918  
1 1 1 13 49 6  o 20.91057 3.540665  7.043276       1.627104  9.042263       2.116128  4.152177       2.544887  11.60523       7.081330  
1 1 1 13 49 7  o 14.78851 3.968386  3.728695       1.543471  3.243727       1.871942  4.758537       2.727854  -1.258823      7.936771  
1 1 1 13 50 0  o 10.19461 6.270133  1.923291       2.422086  1.923291       2.422086  1.923291       2.422086  0.000000       0.000000  
1 1 1 13 50 1  o 12.10738 3.689504  1.149502       1.696959  3.119546       2.496725  -0.5419505     2.313464  4.418935       7.379009  
1 1 1 13 50 2  o 31.96808 2.780760  13.38586       1.485825  16.15856       1.872740  8.675334       2.440958  13.38115       5.561519  
1 1 1 13 50 3  o 22.98971 3.832158  7.782811       1.736705  8.376045       2.350178  7.069150       2.577703  3.558739       7.664316  
1 1 1 13 50 4  o 11.04860 3.447186  0.9931718      1.570114  2.421664       2.173940  -0.5645401     2.270137  3.210296       6.894372  
1 1 1 13 50 5  o 20.34913 3.731910  6.916265       1.711865  9.600473       2.378412  4.031089       2.465841  11.35715       7.463819  
1 1 1 13 51 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13 51 1  o 20.54997 5.850681  0.000000       0.000000  ?              ?         7.261916       2.520629  ?              ?         
1 1 1 13 51 2  o 9.711227 4.583676  0.000000       0.000000  ?              ?         -0.2403050     2.359478  ?              ?         
1 1 1 13 51 3  o 18.46787 6.096125  0.000000       0.000000  ?              ?         6.370209       2.614715  ?              ?         
1 1 1 14 0  0  o 668.0486 16.06064  4482.572       214.3104  4482.572       214.3104  4482.572       214.3104  0.000000       0.000000  
1 1 1 14 0  1  o 740.1971 8.892900  5501.002       131.5522  5551.424       187.6368  5452.258       184.4890  0.000000       0.000000  
1 1 1 14 0  2  o 268.1503 3.977923  712.5097       19.82152  699.2024       23.86843  742.0803       35.58020  0.000000       0.000000  
1 1 1 14 0  3  f 150.5279 2.590422  226.2380       7.767637  216.4335       10.52969  237.9433       11.50522  0.000000       0.000000  
1 1 1 14 0  4  o 269.3520 3.246676  726.4858       17.47702  721.1561       24.51876  731.9908       24.91856  0.000000       0.000000  
1 1 1 14 0  5  f 162.9997 2.838848  266.1590       9.238257  261.4751       12.84081  271.1848       13.30108  0.000000       0.000000  
1 1 1 14 0  6  o 54.87750 2.038513  30.24496       2.230640  30.24496       2.230640  30.24496       2.230640  0.000000       0.000000  
1 1 1 14 0  7  o 16.51942 3.101670  3.447269       1.092318  1.015189       1.538843  5.917190       1.550768  0.000000       0.000000  
1 1 1 14 0  8  o 265.0865 4.551878  704.2755       24.05128  733.1721       35.41179  679.5308       32.76903  0.000000       0.000000  
1 1 1 14 0  9  o 114.2144 2.108673  130.0741       4.785259  138.0447       7.212790  123.8075       6.395448  0.000000       0.000000  
1 1 1 14 0  10 o 11.37749 4.028377  1.551470       1.212126  3.107196       1.894759  0.4737226      1.577051  0.000000       0.000000  
1 1 1 14 0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14 0  12 o 154.1762 2.763267  236.9775       8.464363  221.6367       11.29120  256.6585       12.78908  0.000000       0.000000  
1 1 1 14 0  13 o 170.4549 2.631737  291.5304       8.354465  292.8946       14.79712  290.8921       10.12215  0.000000       0.000000  
1 1 1 14 0  14 f 58.37255 1.572048  33.09160       1.272414  35.93290       3.449892  32.64423       1.368926  0.000000       0.000000  
1 1 1 14 0  15 o 8.356736 3.743029  0.3199181      0.7914919 1.413386       2.502612  0.1983887      0.8343170 0.000000       0.000000  
1 1 1 14 0  16 o 29.21471 2.414623  8.877804       1.073948  8.830808       2.404060  8.889521       1.200381  0.000000       0.000000  
1 1 1 14 0  17 o 6.542797 3.180118  -0.1857231     0.7563826 -0.3019773     2.303678  -0.1716759     0.8007771 0.000000       0.000000  
1 1 1 14 0  18 o 62.06294 1.732437  38.86802       1.455266  39.28726       3.976541  38.80318       1.563744  0.000000       0.000000  
1 1 1 14 0  19 o 12.71672 3.782511  2.338597       0.7814004 1.157996       3.065952  2.420611       0.8080859 0.000000       0.000000  
1 1 1 14 0  20 o 9.034855 3.747885  1.074555       0.7920690 -0.3289627     3.133273  1.170369       0.8186587 0.000000       0.000000  
1 1 1 14 0  21 o 8.445965 3.955691  0.4646065      0.9139915 1.179155       3.381459  0.4082873      0.9493277 0.000000       0.000000  
1 1 1 14 0  22 o 24.53173 3.950938  7.060256       0.9013041 8.240426       3.153869  6.955302       0.9405279 0.000000       0.000000  
1 1 1 14 0  23 o 10.74673 6.623333  2.330555       2.713539  2.330555       2.713539  2.330555       2.713539  0.000000       0.000000  
1 1 1 14 1  0  o 182.7907 3.135290  334.4876       11.45450  334.4876       11.45450  334.4876       11.45450  0.000000       0.000000  
1 1 1 14 1  1  o 237.1179 2.186624  560.8163       10.22479  572.2536       15.91583  552.7788       13.34227  4.089951       4.373247  
1 1 1 14 1  2  o 524.9045 4.796925  2767.250       50.05277  2697.786       74.50542  2824.388       67.57201  -12.16095      9.593850  
1 1 1 14 1  3  o 495.6895 4.202045  2461.049       41.65556  2444.926       58.51501  2477.614       59.31279  -3.285858      8.404090  
1 1 1 14 1  4  o 432.6930 3.671120  1874.262       31.75900  1845.453       44.23653  1904.906       45.62360  -6.849915      7.342239  
1 1 1 14 1  5  o 167.1908 1.667018  279.5721       5.573270  282.4422       7.969377  276.8249       7.797036  1.678589       3.334035  
1 1 1 14 1  6  o 114.9703 2.084932  132.1557       4.790647  129.2905       6.625127  135.2956       6.935522  -2.607826      4.169864  
1 1 1 14 1  7  f 230.2757 2.793485  531.0919       12.86285  537.9039       18.41524  524.6022       17.97440  2.878082       5.586969  
1 1 1 14 1  8  o 107.2976 1.415966  115.1776       3.038023  114.2927       4.248828  116.1033       4.345634  -0.8422623     2.831932  
1 1 1 14 1  9  o 91.06711 1.271457  82.93301       2.314407  81.55589       3.208683  84.42649       3.341488  -1.573738      2.542915  
1 1 1 14 1  10 o 29.33436 1.603540  8.597143       0.9397467 8.175638       1.293897  9.067712       1.367130  -1.518490      3.207080  
1 1 1 14 1  11 o 167.2296 2.086592  280.0323       6.969483  272.3587       9.564779  288.7184       10.17630  -4.860977      4.173183  
1 1 1 14 1  12 o 103.7282 1.206950  108.4332       2.348788  105.6088       4.080764  109.8324       2.872263  -2.073174      2.413900  
1 1 1 14 1  13 f 140.7360 1.252989  198.2479       3.525273  194.9645       4.899250  201.7730       5.076448  -2.411636      2.505978  
1 1 1 14 1  14 o 28.23445 1.675137  7.578936       0.8873761 9.207603       1.615179  6.874811       1.062013  4.092518       3.350273  
1 1 1 14 1  15 o 77.56050 0.8400460 60.23761       1.303029  60.84726       1.841763  59.62665       1.843763  0.7869797      1.680092  
1 1 1 14 1  16 o 50.87778 0.9657348 25.91750       0.9379028 26.08807       1.585762  25.82573       1.163161  0.2157249      1.931470  
1 1 1 14 1  17 o 30.13293 1.010168  9.098526       0.6081812 8.702322       0.8379743 9.539521       0.8840724 -1.382750      2.020336  
1 1 1 14 1  18 o 31.27021 0.9960523 9.814338       0.6222004 9.262364       0.8570416 10.42946       0.9047433 -1.855934      1.992105  
1 1 1 14 1  19 o 49.75299 0.8405269 24.85712       0.8357527 23.72140       1.157562  26.09379       1.207910  -2.372196      1.681054  
1 1 1 14 1  20 o 16.34075 1.872411  2.814607       0.5947710 3.005972       0.8220769 2.604409       0.8615794 1.494344       3.744822  
1 1 1 14 1  21 o 9.140839 2.455777  0.7286650      0.6192493 0.9017060      0.9118437 0.5805453      0.8436302 1.062157       4.911554  
1 1 1 14 1  22 o 10.13795 2.440238  1.036360       0.7064216 1.880832       0.8954225 -0.3556061     1.149608  5.060946       4.880476  
1 1 1 14 1  23 o 12.38866 3.862186  1.712896       1.908213  0.6921992      2.947932  2.449006       2.503460  -1.568213      7.724373  
1 1 1 14 2  0  o 118.3116 2.082109  140.1189       4.923343  140.1189       4.923343  140.1189       4.923343  0.000000       0.000000  
1 1 1 14 2  1  o 443.2392 4.061207  1964.346       35.55538  1986.169       54.90881  1948.588       46.65841  4.140045       8.122415  
1 1 1 14 2  2  o 361.6134 3.770498  1303.112       25.52201  1326.707       45.03654  1291.950       30.97605  4.644348       7.540995  
1 1 1 14 2  3  o 171.3604 1.598011  290.8749       5.353514  306.8567       8.626723  280.8653       6.827169  7.573944       3.196022  
1 1 1 14 2  4  f 540.4470 4.584242  2926.158       49.52882  2980.161       71.33559  2875.895       68.82074  9.599976       9.168485  
1 1 1 14 2  5  o 163.3919 1.633706  267.0388       5.338384  269.0050       7.599064  265.1230       7.501121  1.187225       3.267412  
1 1 1 14 2  6  o 87.53773 1.703351  76.64481       2.981735  78.24776       4.256416  75.10017       4.178288  1.797058       3.406703  
1 1 1 14 2  7  o 143.8804 1.796672  207.0365       5.167903  211.6882       7.442806  202.7060       7.181246  3.117493       3.593343  
1 1 1 14 2  8  o 209.2525 2.553169  438.7209       10.68511  440.1785       15.12580  437.2690       15.09629  0.6943970      5.106337  
1 1 1 14 2  9  o 149.6579 1.875823  224.2816       5.614564  225.5242       7.964071  223.0537       7.916527  0.8241425      3.751647  
1 1 1 14 2  10 o 78.16085 1.202389  61.15067       1.879063  62.59835       2.650949  59.68881       2.663892  1.861526       2.404777  
1 1 1 14 2  11 o 57.49824 0.9069069 31.69662       0.8972096 35.80891       1.864843  30.45802       1.023445  4.635075       1.813814  
1 1 1 14 2  12 o 97.67564 1.168699  93.31971       2.068139  100.6407       3.921602  90.49913       2.434149  5.146782       2.337399  
1 1 1 14 2  13 o 28.78970 0.9218736 8.368617       0.5250433 9.667686       0.7366424 7.027219       0.7485475 4.586142       1.843747  
1 1 1 14 2  14 o 132.0330 1.565530  175.5049       4.075200  170.7092       6.271213  179.0102       5.361521  -3.203186      3.131060  
1 1 1 14 2  15 o 25.36273 1.206187  6.382215       0.6084757 7.150172       0.9205441 5.786332       0.8108795 2.679907       2.412374  
1 1 1 14 2  16 o 38.33866 0.8808217 14.71804       0.6746043 13.74708       0.9395138 15.75143       0.9692501 -2.611267      1.761643  
1 1 1 14 2  17 o 33.21172 0.9770098 10.99101       0.6419411 10.55286       0.8407534 11.60353       0.9940687 -1.560837      1.954020  
1 1 1 14 2  18 o 32.43966 0.9564930 10.59557       0.6196966 10.95039       0.8637757 10.21925       0.8895596 1.132198       1.912986  
1 1 1 14 2  19 o 22.27440 1.299649  5.083451       0.5724747 5.665570       0.7868024 4.428608       0.8345048 2.794086       2.599297  
1 1 1 14 2  20 f 30.56352 1.077364  9.450447       0.6552667 9.441620       0.8836282 9.461232       0.9767237 0.3892899E-02  2.154729  
1 1 1 14 2  21 o 23.65998 1.423124  5.751453       0.6710030 6.284310       1.001664  5.317674       0.9037543 1.958960       2.846248  
1 1 1 14 2  22 o 26.96016 1.450314  7.529496       0.7449837 7.343825       0.9191650 7.884999       1.271872  -0.6020603     2.900629  
1 1 1 14 2  23 o 11.86818 3.735486  0.5509871      1.958153  -2.436502      2.777790  3.502004       2.760782  -5.228278      7.470972  
1 1 1 14 3  0  o 50.01583 1.294669  25.06697       1.293156  25.06697       1.293156  25.06697       1.293156  0.000000       0.000000  
1 1 1 14 3  1  o 197.4426 1.691688  389.7167       6.677301  383.1183       9.279284  396.8025       9.615973  -3.463669      3.383377  
1 1 1 14 3  2  o 110.1900 1.273092  122.1862       2.786005  113.3854       4.096129  129.7623       3.800474  -7.432373      2.546183  
1 1 1 14 3  3  o 349.9208 2.969015  1225.495       20.77799  1229.819       29.49667  1221.235       29.27362  1.224152       5.938030  
1 1 1 14 3  4  o 190.0716 1.767600  359.7937       6.611958  370.2513       10.38368  352.6617       8.575171  4.614059       3.535200  
1 1 1 14 3  5  f 343.5049 3.369530  1181.574       23.14717  1190.720       32.98600  1172.702       32.48974  2.614990       6.739061  
1 1 1 14 3  6  o 44.81258 1.245643  20.08439       1.116410  20.08439       1.116410  ?              ?         ?              ?         
1 1 1 14 3  7  o 130.5796 1.331407  170.3571       3.474267  176.0758       5.039232  165.1760       4.796463  4.170883       2.662814  
1 1 1 14 3  8  o 206.1468 2.517237  425.7735       10.37822  428.5935       14.72944  422.9933       14.62514  1.355453       5.034474  
1 1 1 14 3  9  o 156.0267 1.946446  243.7495       6.073089  247.6488       8.678254  240.0071       8.501756  2.443970       3.892892  
1 1 1 14 3  10 o 123.7713 2.185744  0.000000       0.000000  ?              ?         153.3775       5.410648  ?              ?         
1 1 1 14 3  11 o 42.61814 0.9967199 18.07269       0.8151557 18.53786       1.368552  17.81691       1.014814  0.8372536      1.993440  
1 1 1 14 3  12 o 101.4442 1.193846  102.4860       2.257314  104.4835       4.017132  101.5642       2.728894  1.398994       2.387692  
1 1 1 14 3  13 o 61.52429 0.8364627 38.11076       1.002263  38.94529       1.286802  36.82366       1.598063  1.732738       1.672925  
1 1 1 14 3  14 o 66.33694 1.195674  44.13398       1.584212  41.74706       2.249893  46.48109       2.231053  -3.569138      2.391348  
1 1 1 14 3  15 o 48.75125 0.9507111 23.85297       0.9183146 24.15227       1.222399  23.46524       1.391323  0.7153473      1.901422  
1 1 1 14 3  16 o 17.62275 1.558662  3.125182       0.5491016 3.031293       0.7626610 3.226234       0.7912199 -0.5484219     3.117323  
1 1 1 14 3  17 o 43.05299 0.8687408 18.63164       0.7399641 18.86943       0.9806941 18.31731       1.127540  0.6594658      1.737482  
1 1 1 14 3  18 o 25.14935 1.166610  6.370741       0.5840063 6.315025       0.7869309 6.439048       0.8713207 -0.2255764     2.333220  
1 1 1 14 3  19 o 40.66040 0.8864095 16.63460       0.7175480 16.60457       0.9692690 16.67101       1.067337  -0.5685806E-01 1.772819  
1 1 1 14 3  20 o 10.72484 2.468137  1.239113       0.6183162 1.523988       0.7440350 0.6032163      1.111627  2.232254       4.936275  
1 1 1 14 3  21 o 15.00060 2.043162  2.583374       0.5844644 3.295063       0.7846881 1.696546       0.8759341 5.569396       4.086324  
1 1 1 14 3  22 o 23.44090 1.347053  5.720525       0.6303825 5.718473       0.8662889 5.722833       0.9190387 0.4759407E-01  2.694107  
1 1 1 14 3  23 o 18.32862 4.398792  6.018905       1.953230  6.564128       2.646432  5.366533       2.894818  2.737198       8.797584  
1 1 1 14 4  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14 4  1  o 306.3193 2.814552  939.3221       17.06824  941.5252       22.60124  936.3978       26.03829  0.8665161      5.629104  
1 1 1 14 4  2  o 156.4362 1.563928  244.7290       4.892535  241.6078       6.855686  247.9684       6.984285  -2.032318      3.127857  
1 1 1 14 4  3  o 65.73669 0.8518541 44.54590       1.073166  37.98072       1.712687  48.78981       1.377013  -8.222523      1.703708  
1 1 1 14 4  4  o 306.8480 2.819964  942.3615       17.12428  943.0196       26.18695  941.8699       22.63440  0.1454163      5.639927  
1 1 1 14 4  5  o 49.75323 0.8098595 24.76588       0.8047521 24.95347       1.111615  24.55930       1.166554  0.3963280      1.619719  
1 1 1 14 4  6  o 320.8468 3.860870  1031.887       24.76816  1047.245       35.53376  1017.374       34.54221  4.630005       7.721739  
1 1 1 14 4  7  f 165.5767 1.657462  273.6738       5.479394  285.3761       8.039534  263.5223       7.487907  6.591385       3.314924  
1 1 1 14 4  8  o 284.7105 2.815215  812.6216       16.03041  814.1230       22.68028  811.1229       22.66059  0.5262451      5.630430  
1 1 1 14 4  9  o 228.0755 2.534044  518.4629       11.23083  534.3953       18.30710  508.8486       14.22130  5.452652       5.068087  
1 1 1 14 4  10 o 130.5937 2.040651  171.0953       5.032626  170.3519       8.679049  171.4719       6.177147  -0.5201111     4.081303  
1 1 1 14 4  11 o 48.81610 0.9370067 23.17825       0.8078914 25.26725       1.600533  22.46402       0.9358640 2.856010       1.874013  
1 1 1 14 4  12 f 94.75015 1.128852  90.68783       2.033005  87.16618       3.428151  92.59821       2.524911  -2.893227      2.257705  
1 1 1 14 4  13 o 158.4762 1.513760  251.7976       4.735903  252.3723       6.221957  251.0060       7.302132  0.4853058      3.027519  
1 1 1 14 4  14 o 227.0635 2.135707  515.1826       9.525896  535.9746       15.08293  501.3860       12.28640  7.352249       4.271413  
1 1 1 14 4  15 o 25.12562 1.286044  6.332288       0.6452415 5.865755       0.9032081 6.818545       0.9221040 -1.894386      2.572088  
1 1 1 14 4  16 o 71.43562 0.8663893 50.75817       1.228728  54.21098       1.876754  48.16778       1.625559  4.206917       1.732779  
1 1 1 14 4  17 o 70.60439 0.8852636 50.05947       1.231471  50.27635       1.610765  49.75437       1.910461  0.4091797      1.770527  
1 1 1 14 4  18 o 23.70127 1.188321  5.762381       0.5532916 6.454683       0.7479244 4.925548       0.8222978 3.244316       2.376641  
1 1 1 14 4  19 o 9.342434 2.259398  0.7756236      0.5106807 0.4821148      0.6622435 1.206207       0.8021135 -2.793709      4.518796  
1 1 1 14 4  20 o 21.94308 1.332700  4.861286       0.5815952 4.530619       0.7741520 5.289732       0.8812077 -1.677990      2.665401  
1 1 1 14 4  21 o 14.53241 2.412233  2.314201       0.6427495 2.182753       0.7642987 2.631727       1.187885  -0.8838921     4.824467  
1 1 1 14 4  22 o 8.831501 2.337307  0.7440048      0.5676942 0.9665639      0.7672169 0.4747089      0.8439376 1.282886       4.674615  
1 1 1 14 4  23 f 10.44320 3.422244  -0.4489144     1.835170  -3.363344      2.750205  1.890428       2.463969  -3.575881      6.844488  
1 1 1 14 5  0  o 93.94705 1.560586  88.18432       2.708807  89.02489       4.874600  87.80879       3.258191  0.000000       0.000000  
1 1 1 14 5  1  o 269.6277 2.818533  723.7773       14.22521  717.0212       17.26140  738.0781       25.11348  -3.835510      5.637067  
1 1 1 14 5  2  o 218.0019 2.271389  479.9752       9.485443  459.5355       15.70982  491.7019       11.89930  -7.406540      4.542777  
1 1 1 14 5  3  o 243.4768 2.461104  591.4344       10.78505  597.2369       20.35766  589.1704       12.71618  1.586624       4.922209  
1 1 1 14 5  4  o 332.7130 3.062575  1100.473       19.98583  1147.080       31.81267  1070.084       25.68794  11.49048       6.125151  
1 1 1 14 5  5  o 367.8181 3.236337  1347.300       22.88091  1381.952       38.26741  1328.018       28.54567  7.180115       6.472674  
1 1 1 14 5  6  o 168.0752 1.881665  280.7728       6.141590  274.9038       7.764083  290.5847       10.03884  -4.635254      3.763330  
1 1 1 14 5  7  o 215.2372 2.135139  463.2470       9.182362  451.9268       12.65589  475.8298       13.34298  -5.539688      4.270278  
1 1 1 14 5  8  o 169.1255 1.884619  287.9162       6.340027  312.8599       8.803486  261.0399       9.138182  15.32719       3.769237  
1 1 1 14 5  9  o 29.52499 1.234943  8.035856       0.6959952 11.22688       1.230384  6.534297       0.8440094 7.939798       2.469887  
1 1 1 14 5  10 o 89.89906 1.456686  80.95393       2.264291  80.81738       4.537425  80.99921       2.612883  -0.1512833     2.913371  
1 1 1 14 5  11 o 101.5384 1.188303  100.5454       2.212924  109.8401       4.120270  96.77734       2.623410  6.388161       2.376606  
1 1 1 14 5  12 o 143.8970 1.670076  206.9541       4.704266  210.1753       7.488764  204.8544       6.046062  1.783859       3.340152  
1 1 1 14 5  13 o 42.44311 0.8490202 17.92786       0.6702238 17.76091       0.8086691 18.29413       1.197797  -0.6172295     1.698040  
1 1 1 14 5  14 o 72.49558 1.064201  53.98970       1.429461  56.46793       1.744905  48.93252       2.492611  5.232880       2.128402  
1 1 1 14 5  15 o 89.41632 1.186224  80.05138       2.101541  81.11256       3.207878  79.25351       2.781561  1.003479       2.372449  
1 1 1 14 5  16 o 60.33954 0.7999403 36.53077       0.9632814 37.41574       1.329300  35.55215       1.397856  1.550026       1.599881  
1 1 1 14 5  17 o 46.94376 0.8740777 22.12178       0.7981958 22.15217       1.017370  22.07312       1.287324  0.1213341      1.748155  
1 1 1 14 5  18 f 16.43808 1.710813  2.910560       0.5187550 3.320478       0.6705055 2.299317       0.8187681 3.383971       3.421626  
1 1 1 14 5  19 o 26.72397 1.054955  7.335192       0.5502003 9.069794       0.7729630 5.553691       0.7833424 6.581636       2.109910  
1 1 1 14 5  20 o 7.535604 2.140976  0.1841406      0.5446333 0.7088905      0.6905268 -0.6796367     0.8859419 2.414363       4.281952  
1 1 1 14 5  21 o 23.47238 1.607068  5.636901       0.6818984 5.470822       0.8033751 6.064913       1.289699  -0.7831326     3.214136  
1 1 1 14 5  22 o 25.42359 1.214453  6.685655       0.6137686 6.647990       0.8233935 6.732750       0.9207418 -0.6743622E-01 2.428907  
1 1 1 14 5  23 o 20.28926 4.244888  7.200170       2.068174  10.85534       3.038849  4.046331       2.822769  11.18064       8.489777  
1 1 1 14 6  0  o 163.9712 2.498814  257.7524       7.304380  294.9814       14.38233  244.8121       8.479339  0.000000       0.000000  
1 1 1 14 6  1  o 109.2325 1.284041  116.6058       2.686587  128.6477       4.600638  110.3745       3.309490  8.358810       2.568083  
1 1 1 14 6  2  o 243.0751 2.397178  590.7982       11.64771  579.5693       16.15812  602.9451       16.80564  -4.802780      4.794355  
1 1 1 14 6  3  o 172.6160 1.612951  298.5232       5.525324  294.1425       8.317135  301.9838       7.392340  -2.277283      3.225901  
1 1 1 14 6  4  o 388.0718 5.252327  1492.246       31.98975  1541.960       73.90978  1480.786       35.48582  7.035614       10.50465  
1 1 1 14 6  5  f 211.0491 1.943331  442.1831       8.167476  392.7392       11.04145  501.9283       12.13727  -25.85722      3.886662  
1 1 1 14 6  6  f 139.8683 1.429556  195.7205       3.998883  196.9913       5.648057  194.4433       5.662519  0.9110107      2.859113  
1 1 1 14 6  7  o 29.91118 1.440471  9.567241       0.7797751 14.06796       1.097910  4.985960       1.107693  15.18172       2.880943  
1 1 1 14 6  8  o 125.6365 1.303466  157.9464       3.275052  159.4291       4.621731  156.4509       4.641578  1.185577       2.606932  
1 1 1 14 6  9  o 55.93815 0.8560829 31.42237       0.9535060 32.99281       1.309922  29.65248       1.390615  2.986755       1.712166  
1 1 1 14 6  10 o 44.45245 1.293668  17.00038       0.9845427 25.46697       2.171136  14.80867       1.104649  11.96209       2.587337  
1 1 1 14 6  11 o 210.4395 2.357725  444.1965       9.724363  446.6758       15.38521  442.5471       12.54886  0.8126526      4.715450  
1 1 1 14 6  12 o 58.83248 0.9963580 34.04241       1.102651  36.38010       1.949044  32.94201       1.337220  2.905209       1.992716  
1 1 1 14 6  13 o 100.0998 1.054293  99.50208       2.045548  97.14368       2.576774  103.5209       3.363692  -3.157425      2.108587  
1 1 1 14 6  14 o 93.90567 1.028176  88.40821       1.919859  87.38804       2.864972  89.23969       2.586511  -0.9998703     2.056353  
1 1 1 14 6  15 o 84.21024 1.131633  71.20594       1.894966  70.16601       2.824557  72.05711       2.555386  -1.145920      2.263266  
1 1 1 14 6  16 f 64.20123 0.8373967 41.13882       1.055437  40.45922       1.362432  42.15870       1.669035  -1.296490      1.674793  
1 1 1 14 6  17 o 36.80216 0.8655751 13.66685       0.6259719 14.01500       0.8185844 13.17655       0.9714237 1.161434       1.731150  
1 1 1 14 6  18 f 12.22553 2.145230  1.551083       0.5072524 1.425928       0.6339366 1.773833       0.8457265 -1.286616      4.290461  
1 1 1 14 6  19 o 10.35443 2.424578  0.9268579      0.5242991 0.7279952      0.6047032 1.529055       1.052289  -3.403327      4.849156  
1 1 1 14 6  20 o 39.47392 0.9427320 15.86946       0.7257168 16.39790       0.9374164 15.07900       1.146506  1.745552       1.885464  
1 1 1 14 6  21 o 9.938171 2.372539  1.060223       0.5569278 1.090872       0.7323350 1.018187       0.8576583 0.1083326      4.745079  
1 1 1 14 6  22 o 12.97341 2.248102  1.921957       0.5738038 1.705295       0.7496023 2.228578       0.8917438 -1.663183      4.496203  
1 1 1 14 6  23 o 15.90667 4.460852  5.277390       2.122735  5.463323       2.937474  5.074172       3.070976  0.7641335      8.921704  
1 1 1 14 7  0  o 185.3933 2.774642  342.6438       9.626452  349.0094       16.95998  339.6182       11.69244  0.000000       0.000000  
1 1 1 14 7  1  f 125.1089 1.288722  156.2399       3.219584  151.3498       4.407362  161.8353       4.714496  -4.189125      2.577444  
1 1 1 14 7  2  o 210.6365 2.089010  443.8217       8.799620  448.4841       12.54951  439.3120       12.34216  2.175583       4.178020  
1 1 1 14 7  3  o 431.7836 3.966584  1864.573       33.81705  1888.201       52.31234  1847.611       44.32347  4.567719       7.933169  
1 1 1 14 7  4  o 80.72005 1.042501  65.77007       1.660489  60.94565       2.509310  69.52831       2.214750  -5.317703      2.085002  
1 1 1 14 7  5  o 365.2027 4.780689  1360.269       26.68149  1304.960       62.61245  1372.541       29.49344  -10.08374      9.561378  
1 1 1 14 7  6  o 136.5715 1.488791  184.9444       3.799264  191.2566       6.752629  182.0208       4.595668  3.356415       2.977582  
1 1 1 14 7  7  o 124.4469 1.456562  154.5479       3.552926  157.0111       5.634886  152.9224       4.577508  1.627968       2.913124  
1 1 1 14 7  8  o 88.44254 1.144777  78.19839       1.994831  78.59962       3.103798  77.91601       2.603836  0.3792725      2.289554  
1 1 1 14 7  9  o 62.07597 1.012293  38.30390       1.230834  39.74968       1.965581  37.37130       1.578664  1.909760       2.024585  
1 1 1 14 7  10 o 143.9250 2.219996  208.4513       6.093623  205.2167       10.26471  210.2116       7.572303  -1.850372      4.439993  
1 1 1 14 7  11 f 131.3698 1.910233  176.2247       4.477819  165.8928       8.415101  180.3057       5.288738  -5.630844      3.820467  
1 1 1 14 7  12 o 176.3891 1.897617  310.1834       6.281653  317.3777       11.04080  306.7400       7.638450  2.833969       3.795235  
1 1 1 14 7  13 o 151.3476 1.385632  230.9500       4.125259  220.9458       6.366493  238.1901       5.416064  -5.741913      2.771264  
1 1 1 14 7  14 f 68.46651 0.9110162 46.91293       1.243021  47.18278       1.839738  46.68626       1.686089  0.3552856      1.822032  
1 1 1 14 7  15 o 62.22574 0.8640811 38.80642       1.073756  39.15721       1.482334  38.41916       1.557492  0.5983505      1.728162  
1 1 1 14 7  16 o 18.40691 1.390198  3.380398       0.4337621 3.356220       0.4951151 3.460224       0.8996230 -0.2245197     2.780396  
1 1 1 14 7  17 o 37.75631 0.8782589 14.31913       0.6532579 14.35711       0.8538891 14.26551       1.014400  0.1465530      1.756518  
1 1 1 14 7  18 o 8.106734 2.187630  0.4588447      0.4737228 0.3777287      0.5848055 0.6136574      0.8079068 -1.523160      4.375261  
1 1 1 14 7  19 o 24.11812 1.265376  5.999892       0.5972854 6.590874       0.7941660 5.230288       0.9062701 2.860565       2.530752  
1 1 1 14 7  20 o 29.12667 1.295761  9.013274       0.6768240 9.559567       0.8116540 7.766326       1.226259  3.282751       2.591523  
1 1 1 14 7  21 o 11.65101 2.220667  1.454680       0.5881352 0.5449888      0.8069911 2.485247       0.8589346 -6.572366      4.441335  
1 1 1 14 7  22 o 27.94831 1.198735  8.223897       0.6582066 9.503629       0.9062127 6.794914       0.9576012 4.900776       2.397471  
1 1 1 14 7  23 o 10.03955 2.850193  1.132626       0.8602105 1.327314       1.349316  0.9993212      1.116523  0.9029684      5.700385  
1 1 1 14 8  0  o 71.13876 1.339493  51.58349       1.822342  47.57595       2.984401  53.96613       2.301163  0.000000       0.000000  
1 1 1 14 8  1  o 249.6216 2.300579  624.8414       11.41321  636.5180       15.38458  610.5494       17.02057  5.215988       4.601157  
1 1 1 14 8  2  o 227.0362 2.247066  515.2953       10.19640  527.6539       14.75160  503.9890       14.10960  5.205856       4.494132  
1 1 1 14 8  3  o 211.9717 2.351522  451.3811       9.827826  460.5834       12.93212  438.8012       15.12029  5.160355       4.703045  
1 1 1 14 8  4  o 252.7949 2.567033  635.4708       11.61839  648.9346       22.18037  630.3798       13.63929  3.567719       5.134066  
1 1 1 14 8  5  o 128.8193 1.394955  167.6222       3.435501  160.3749       5.713990  171.7252       4.299397  -4.417809      2.789910  
1 1 1 14 8  6  o 88.35481 0.8947415 77.71477       1.527339  79.48158       2.522129  76.69164       1.919278  1.574394       1.789483  
1 1 1 14 8  7  o 241.3682 2.235375  582.0099       10.64876  592.0368       16.51563  574.8755       13.93128  3.496399       4.470750  
1 1 1 14 8  8  o 91.38623 1.043006  83.58933       1.903388  84.32334       2.626301  82.77725       2.762452  0.8477859      2.086012  
1 1 1 14 8  9  o 86.32620 1.014774  74.61405       1.750656  77.24090       2.460218  71.91958       2.491686  3.082603       2.029549  
1 1 1 14 8  10 o 47.00853 1.020634  20.81333       0.8677299 19.25382       1.011267  25.16711       1.689684  -6.275520      2.041268  
1 1 1 14 8  11 o 131.5966 2.068200  168.5166       4.944593  186.0956       9.378837  161.7496       5.818971  9.067863       4.136401  
1 1 1 14 8  12 o 159.9500 1.632620  254.7191       5.200143  274.2687       7.810291  239.1518       6.969539  10.93695       3.265239  
1 1 1 14 8  13 o 90.38402 0.9453053 82.13961       1.696300  78.27835       2.522481  85.32726       2.291919  -3.907021      1.890611  
1 1 1 14 8  14 o 61.69445 1.045487  37.37882       1.242753  40.86916       2.095258  35.48449       1.543583  4.331375       2.090975  
1 1 1 14 8  15 o 31.56655 1.203193  9.952997       0.7533759 11.86916       1.105395  8.290874       1.029516  5.659868       2.406385  
1 1 1 14 8  16 o 43.27273 1.031748  18.10913       0.8665463 21.58191       1.452103  16.18845       1.079909  6.189293       2.063496  
1 1 1 14 8  17 o 24.14726 1.355171  5.806965       0.6500317 6.722201       0.9871301 5.106231       0.8637435 3.315382       2.710342  
1 1 1 14 8  18 o 55.33324 0.9449001 30.92293       0.9758500 31.17270       1.186513  30.40080       1.715527  0.8042870      1.889800  
1 1 1 14 8  19 o 19.71514 1.498746  4.172148       0.5561831 4.868604       0.7188923 3.133708       0.8778244 4.464357       2.997493  
1 1 1 14 8  20 o 29.90778 1.076038  9.197157       0.6244122 9.687642       0.8048738 8.455736       0.9895716 2.138176       2.152076  
1 1 1 14 8  21 o 7.081225 2.183309  -0.1981432E-01 0.5848514 0.1033500      0.7947754 -0.1652772     0.8637300 0.2752504      4.366618  
1 1 1 14 8  22 o 8.852735 2.151024  0.8421768      0.5135131 1.260256       0.6248328 -0.2781609E-01 0.9013475 3.263868       4.302047  
1 1 1 14 8  23 f 11.19476 2.826327  1.394810       0.9106092 2.844479       1.325334  0.9848999E-01  1.253277  6.047634       5.652655  
1 1 1 14 9  0  o 44.59868 1.237213  20.25768       0.9511555 19.43747       1.881898  20.53909       1.102314  0.000000       0.000000  
1 1 1 14 9  1  f 320.9665 2.957062  1026.655       18.67134  1006.596       24.19495  1056.190       29.35828  -7.663116      5.914124  
1 1 1 14 9  2  o 424.1536 3.600907  1801.852       30.54621  1794.470       43.04198  1809.341       43.35747  -1.748199      7.201814  
1 1 1 14 9  3  o 207.8231 1.938772  428.7966       7.903304  415.8639       10.15377  448.6752       12.58856  -7.872650      3.877544  
1 1 1 14 9  4  o 311.5246 2.868984  971.5609       17.69526  972.3345       27.01302  970.9796       23.41964  0.1636963      5.737967  
1 1 1 14 9  5  o 151.8335 1.639081  227.0041       4.585660  221.4937       5.471412  240.0119       8.406390  -6.064423      3.278163  
1 1 1 14 9  6  o 259.3380 2.221251  672.7558       11.51340  689.7930       16.65627  657.1669       15.93263  6.276245       4.442502  
1 1 1 14 9  7  o 112.1956 1.029271  125.5019       2.301123  121.3523       3.103206  130.5710       3.429809  -4.104660      2.058541  
1 1 1 14 9  8  o 196.3451 1.694781  385.7817       6.653464  393.0725       9.545341  378.8920       9.279143  3.604858       3.389562  
1 1 1 14 9  9  o 123.8035 1.214160  153.3541       2.958010  153.2341       3.852642  153.5266       4.616810  -0.1026001     2.428319  
1 1 1 14 9  10 o 122.4080 1.201229  150.3186       2.903733  152.2324       3.828468  147.7267       4.455482  1.856857       2.402458  
1 1 1 14 9  11 o 178.2833 1.909362  315.4736       6.348916  327.5188       11.33177  309.9626       7.664940  4.749405       3.818725  
1 1 1 14 9  12 o 43.77869 0.8549584 19.16995       0.7484241 18.72298       1.046311  19.63825       1.070984  -1.044697      1.709917  
1 1 1 14 9  13 o 85.20192 0.9255854 72.79340       1.564426  71.55255       2.357320  73.77003       2.091349  -1.310165      1.851171  
1 1 1 14 9  14 o 96.02248 1.148135  92.77040       2.048871  91.44547       3.634840  93.38741       2.480485  -1.091042      2.296270  
1 1 1 14 9  15 o 50.01583 0.8951300 24.65480       0.8852705 27.79414       1.384525  22.48370       1.151390  5.289394       1.790260  
1 1 1 14 9  16 o 24.44809 1.440796  5.822036       0.6928195 7.282032       1.104592  4.875173       0.8895484 4.885910       2.881593  
1 1 1 14 9  17 o 23.54455 1.580777  5.521078       0.7315941 5.139588       0.9383279 6.112524       1.168344  -1.999613      3.161555  
1 1 1 14 9  18 o 22.81883 1.477357  5.261009       0.6728283 5.753185       0.9815987 4.824849       0.9240524 2.015141       2.954715  
1 1 1 14 9  19 o 44.09281 1.504942  0.000000       0.000000  ?              ?         19.61939       1.327142  ?              ?         
1 1 1 14 9  20 o 21.94575 1.376877  4.988454       0.5656291 5.133179       0.6941900 4.702573       0.9756669 1.128252       2.753753  
1 1 1 14 9  21 o 10.57684 2.165014  1.341461       0.5320603 1.799737       0.6479321 0.3926224      0.9323133 4.452106       4.330028  
1 1 1 14 9  22 o 19.41093 1.745255  4.446011       0.5773119 5.096738       0.7095992 3.172060       0.9928652 5.596153       3.490510  
1 1 1 14 9  23 o 8.443554 2.826139  -0.4554540     1.156882  -1.579319      2.412957  -0.1200037     1.318277  0.8271685      5.652279  
1 1 1 14 10 0  o 162.1482 2.465404  262.9594       7.517440  264.6311       13.07981  262.1347       9.186220  0.000000       0.000000  
1 1 1 14 10 1  o 85.51022 1.193422  72.12544       2.024327  81.14206       3.115826  65.53968       2.662896  9.120743       2.386843  
1 1 1 14 10 2  o 393.4825 3.612514  1555.266       28.28243  1599.612       38.42525  1502.839       41.77979  12.35126       7.225029  
1 1 1 14 10 3  o 189.0742 1.765131  358.0983       6.618656  354.0595       10.00237  361.2442       8.827690  -1.909988      3.530262  
1 1 1 14 10 4  o 163.0493 1.644959  265.4441       5.356285  256.7789       7.337609  275.3287       7.836875  -5.683487      3.289917  
1 1 1 14 10 5  o 201.7915 1.792620  408.9598       7.044125  414.0873       9.019050  400.9397       11.27968  3.289169       3.585240  
1 1 1 14 10 6  o 105.1826 1.036022  109.7741       2.058298  108.0060       2.515484  113.3565       3.580513  -2.533302      2.072044  
1 1 1 14 10 7  o 96.80283 1.014140  92.77320       1.899201  90.06952       2.382691  97.48375       3.145046  -3.820526      2.028281  
1 1 1 14 10 8  o 148.9843 1.424915  221.9007       4.182935  220.7225       5.458602  223.5768       6.510595  -0.9363403     2.849829  
1 1 1 14 10 9  o 113.1258 1.318241  126.7126       2.707527  124.8586       3.202667  131.3572       5.068969  -2.829231      2.636482  
1 1 1 14 10 10 f 89.54788 0.8801696 80.29086       1.574870  81.97239       2.194863  78.50645       2.261015  1.936623       1.760339  
1 1 1 14 10 11 f 78.74469 0.8340802 62.07643       1.309371  62.52522       1.785168  61.55386       1.926339  0.6197968      1.668160  
1 1 1 14 10 12 o 81.93459 0.8993472 67.42171       1.462811  65.04876       2.185114  69.34878       1.969153  -2.630219      1.798694  
1 1 1 14 10 13 o 84.78928 0.9671803 71.92988       1.638795  67.95811       2.291939  76.08467       2.344154  -4.790298      1.934361  
1 1 1 14 10 14 o 60.23269 0.8674337 36.41468       1.042242  34.79128       1.507481  37.90129       1.442567  -2.585300      1.734867  
1 1 1 14 10 15 o 21.80675 1.645403  4.811229       0.7104378 4.951995       0.9485092 4.631338       1.072254  0.7547493      3.290806  
1 1 1 14 10 16 o 52.03540 0.9837273 26.70249       0.9899843 28.96761       1.651093  25.43106       1.237009  3.347195       1.967455  
1 1 1 14 10 17 o 32.48477 1.098069  10.60762       0.7125037 10.84356       1.038502  10.39779       0.9793618 0.6740532      2.196138  
1 1 1 14 10 18 o 39.35843 0.9115308 15.67059       0.7127222 17.38830       0.9949195 13.85992       1.021488  4.487919       1.823062  
1 1 1 14 10 19 o 17.99468 2.000595  3.698058       0.6374598 4.425017       0.8070966 2.492576       1.039324  5.751866       4.001190  
1 1 1 14 10 20 o 38.98160 1.068598  15.44235       0.8284975 17.23236       1.168883  13.63514       1.174482  4.616264       2.137195  
1 1 1 14 10 21 o 7.869254 2.266506  0.3740499      0.5297799 0.3551745      0.6403559 0.4149939      0.9431228 -1.141844      4.533011  
1 1 1 14 10 22 o 6.525933 2.071747  -0.1023212     0.5079637 -0.5742197E-01 0.5940468 -0.2244454     0.9797192 -1.237175      4.143495  
1 1 1 14 10 23 o 9.947523 3.170441  0.6841789      1.207925  0.4153986      2.500544  0.7659902      1.379564  0.9449224      6.340881  
1 1 1 14 11 0  o 66.02319 1.356843  41.92186       1.620220  47.91503       3.109052  39.68745       1.898375  0.000000       0.000000  
1 1 1 14 11 1  o 215.6824 2.005109  464.7939       8.545179  461.3744       11.22605  469.5047       13.17630  -1.866943      4.010219  
1 1 1 14 11 2  o 462.3640 4.245868  2145.719       38.94162  2164.733       51.98479  2121.407       58.78325  4.822937       8.491736  
1 1 1 14 11 3  o 148.1273 1.683317  220.8328       4.927888  229.0340       6.557775  210.1942       7.468970  6.367661       3.366634  
1 1 1 14 11 4  o 83.42499 1.048801  69.13323       1.741069  60.14583       2.364838  79.77055       2.572768  -11.76037      2.097602  
1 1 1 14 11 5  o 259.2488 2.397224  671.8100       12.27101  665.5611       16.08260  680.5165       18.98363  -2.826080      4.794447  
1 1 1 14 11 6  o 120.8462 1.135424  144.5304       2.614873  141.0905       3.220985  151.1799       4.478272  -4.160332      2.270848  
1 1 1 14 11 7  o 167.3455 1.512952  278.4456       4.851560  274.0137       6.026383  286.6083       8.178593  -3.722122      3.025904  
1 1 1 14 11 8  o 132.8988 1.660971  176.7240       4.414821  176.7240       4.414821  ?              ?         ?              ?         
1 1 1 14 11 9  f 13.08738 2.000630  1.580651       0.4799235 1.225271       0.5708768 2.437095       0.8862274 -4.489672      4.001259  
1 1 1 14 11 10 o 88.64169 0.9852593 79.10285       1.701914  80.82477       2.187254  76.46053       2.709478  2.474541       1.970519  
1 1 1 14 11 11 o 92.16360 0.9155148 85.05825       1.685048  86.28552       2.330333  83.71336       2.439445  1.398064       1.831030  
1 1 1 14 11 12 o 71.55283 0.8973389 51.27987       1.282434  50.27499       1.851408  52.20672       1.778084  -1.352020      1.794678  
1 1 1 14 11 13 o 98.50899 1.249427  97.74779       2.430496  93.61286       3.701829  100.8809       3.222322  -3.713104      2.498854  
1 1 1 14 11 14 o 93.83803 0.9270480 88.00800       1.736270  90.97901       2.554076  85.45531       2.367444  2.931923       1.854096  
1 1 1 14 11 15 o 83.04900 0.9409692 68.93197       1.540568  67.91473       2.008545  70.38555       2.400989  -1.450676      1.881938  
1 1 1 14 11 16 o 31.25357 1.198009  9.704035       0.6933244 9.519562       0.8317366 10.12412       1.255138  -0.9024048     2.396019  
1 1 1 14 11 17 o 13.84366 2.170058  2.053189       0.5693383 2.105387       0.7165114 1.963781       0.9377438 0.6252604      4.340116  
1 1 1 14 11 18 o 25.07369 1.390790  6.422713       0.6484604 6.518061       0.7876853 6.222194       1.142296  0.7062225      2.781581  
1 1 1 14 11 19 o 46.86755 0.9760519 22.29111       0.8883421 22.71392       1.134717  21.62167       1.427793  1.260712       1.952104  
1 1 1 14 11 20 o 33.34806 1.118627  11.32212       0.7415248 12.77780       1.050751  9.877889       1.046610  4.346052       2.237254  
1 1 1 14 11 21 o 8.746621 2.377624  0.6264192      0.5778387 0.4386458      0.7478638 0.9045752      0.9102269 -1.715660      4.755249  
1 1 1 14 11 22 o 15.29679 1.969385  2.365450       0.5369102 2.030000       0.6261446 3.297198       1.043542  -3.054231      3.938770  
1 1 1 14 12 0  o 82.26348 1.534604  67.83783       2.411824  67.78053       4.047981  67.86937       3.003046  0.000000       0.000000  
1 1 1 14 12 1  o 365.7245 3.363196  1336.519       24.26882  1320.753       31.72955  1358.744       37.67336  -5.094391      6.726392  
1 1 1 14 12 2  f 165.9680 1.571713  275.4406       5.162931  274.7409       6.823169  276.3778       7.896930  -0.4839478     3.143427  
1 1 1 14 12 3  o 212.0159 1.884925  451.4564       7.776748  457.1225       9.945512  442.5409       12.47554  3.469696       3.769851  
1 1 1 14 12 4  o 367.4105 3.379831  1352.901       24.56593  1350.378       32.42652  1356.299       37.63546  -0.6675720     6.759663  
1 1 1 14 12 5  o 162.2653 1.540087  263.6428       4.955540  264.8822       6.600336  262.0416       7.502388  0.8878174      3.080173  
1 1 1 14 12 6  o 90.99431 0.9747371 82.54053       1.746343  81.25271       2.269394  84.41038       2.734543  -1.730141      1.949474  
1 1 1 14 12 7  o 46.35810 0.8782268 20.86381       0.7444483 19.99541       0.8797748 23.05339       1.396986  -3.292088      1.756454  
1 1 1 14 12 8  o 149.6329 1.365773  223.7345       3.942978  222.7560       4.955865  225.4223       6.508733  -0.8576508     2.731546  
1 1 1 14 12 9  o 94.27615 1.089156  90.18951       1.965071  93.50041       2.470814  84.49059       3.241628  4.794754       2.178313  
1 1 1 14 12 10 o 84.09976 0.9680284 70.77508       1.626008  70.77631       2.241898  70.77370       2.361833  0.4478455E-02  1.936057  
1 1 1 14 12 11 o 43.55785 0.8665763 18.98184       0.7353978 18.97445       0.9392192 18.99355       1.182243  -0.1613235E-01 1.733153  
1 1 1 14 12 12 o 50.43565 0.8469761 24.95020       0.8251559 23.62009       1.028065  27.35862       1.383382  -3.696144      1.693952  
1 1 1 14 12 13 o 82.43291 0.9028305 68.14020       1.485211  70.24831       2.054015  65.83026       2.150087  2.683640       1.805661  
1 1 1 14 12 14 o 76.03625 1.042833  58.04891       1.568561  58.74051       2.077586  57.13207       2.392071  1.079460       2.085666  
1 1 1 14 12 15 o 36.47032 0.9932503 12.60084       0.6860553 11.21976       0.8272160 15.64388       1.227899  -6.023911      1.986501  
1 1 1 14 12 16 o 13.57676 2.227381  1.915705       0.5744004 1.829350       0.7143635 2.073659       0.9661409 -0.7877417     4.454761  
1 1 1 14 12 17 o 6.977998 2.194862  -0.2447925     0.6006898 0.1016886      0.7024372 -1.187702      1.158785  0.1451731      4.389724  
1 1 1 14 12 18 o 12.65270 2.241114  1.766832       0.5620710 1.970258       0.7166702 1.441747       0.9059737 1.950459       4.482227  
1 1 1 14 12 19 o 44.91883 0.9184490 20.60583       0.8137960 23.86478       1.132267  17.12341       1.170445  7.516930       1.836898  
1 1 1 14 12 20 f 16.86464 2.121975  3.313019       0.6604407 4.352155       0.8788506 1.964842       1.001042  7.347126       4.243950  
1 1 1 14 12 21 o 18.88601 1.814439  3.838969       0.6770920 4.028064       0.9071570 3.601118       1.017403  1.277672       3.628877  
1 1 1 14 12 22 o 9.471729 2.548667  0.6824627      0.7788691 1.711651       1.039631  -0.6341749     1.175885  4.586417       5.097335  
1 1 1 14 13 0  o 333.7784 4.667046  1112.600       26.77381  1126.654       54.21835  1108.067       30.78982  0.000000       0.000000  
1 1 1 14 13 1  o 100.4321 1.224056  101.2930       2.417072  103.1696       3.157939  98.63866       3.755781  2.260033       2.448112  
1 1 1 14 13 2  o 111.9547 1.121899  125.3353       2.481372  125.1584       3.263030  125.5779       3.821046  -0.1831970     2.243798  
1 1 1 14 13 3  o 440.3626 4.066161  1929.463       35.06932  1867.516       44.90396  2026.329       56.15134  -17.68512      8.132321  
1 1 1 14 13 4  o 400.5929 4.184563  1612.545       31.62957  1614.590       38.78528  1608.485       54.65142  1.321289       8.369125  
1 1 1 14 13 5  o 154.5295 1.408937  238.0935       4.189558  235.9085       5.240555  241.9630       6.974069  -1.935120      2.817873  
1 1 1 14 13 6  o 174.6252 1.579095  303.3684       5.292161  298.8150       6.587985  311.6524       8.885902  -3.632263      3.158190  
1 1 1 14 13 7  o 109.6548 1.053915  120.7567       2.237800  122.1715       2.838953  118.4352       3.636586  1.715675       2.107831  
1 1 1 14 13 8  o 83.79359 1.143466  69.61141       1.851658  72.73204       3.070450  67.82787       2.321253  2.911667       2.286932  
1 1 1 14 13 9  o 150.7210 1.444245  227.1914       4.298219  225.7906       5.638136  229.1351       6.641583  -1.078049      2.888490  
1 1 1 14 13 10 f 124.4966 1.592674  154.5827       3.952552  163.4821       5.886590  147.2765       5.333722  6.486320       3.185347  
1 1 1 14 13 11 o 35.62231 0.9415774 12.97521       0.6240698 13.49433       0.7631395 11.92721       1.084300  2.208237       1.883155  
1 1 1 14 13 12 o 120.5968 1.147987  146.5112       2.692885  149.5884       3.449392  141.7090       4.309124  3.300514       2.295974  
1 1 1 14 13 13 o 40.57825 1.137531  16.79662       0.8349470 17.22259       0.9953156 15.78490       1.533922  1.801311       2.275062  
1 1 1 14 13 14 o 73.97606 1.067055  55.36994       1.559114  58.84444       2.089388  51.00444       2.342016  5.318855       2.134110  
1 1 1 14 13 15 o 50.25312 1.065818  25.42265       1.044363  25.72305       1.340099  24.95801       1.666638  0.7975769      2.131636  
1 1 1 14 13 16 o 59.51962 0.9159486 36.07878       1.056311  37.90549       1.356688  33.26669       1.683295  3.940212       1.831897  
1 1 1 14 13 17 o 7.501607 2.250461  0.3611745E-01  0.5643800 -0.7882722E-01 0.7034810 0.2437188      0.9454161 -1.758399      4.500923  
1 1 1 14 13 18 o 26.73461 1.365639  7.269988       0.7274837 7.975624       1.028235  6.562751       1.029401  2.642843       2.731279  
1 1 1 14 13 19 o 14.27094 2.247698  2.281155       0.6331568 2.715277       0.8256002 1.661217       0.9865932 3.868312       4.495396  
1 1 1 14 13 20 o 7.962418 2.393518  0.5084538E-01  0.6854279 -0.4328031     0.9471166 0.5827128      0.9932081 -2.167803      4.787035  
1 1 1 14 13 21 o 11.79723 2.266024  1.639691       0.6539903 2.660722       0.8601735 0.2408912      1.006803  7.251088       4.532048  
1 1 1 14 13 22 o 10.82077 2.784954  1.390377       0.7119814 1.542510       0.7716302 0.5189314      1.846787  1.171168       5.569909  
1 1 1 14 14 0  o 142.1268 2.188900  202.5872       5.869640  203.0066       7.206135  201.7602       10.11804  0.000000       0.000000  
1 1 1 14 14 1  o 260.5787 2.652482  674.3794       12.34049  667.6614       14.45591  692.4274       23.69415  -4.580231      5.304964  
1 1 1 14 14 2  o 168.1977 1.904012  279.5723       6.191641  296.7600       10.29086  269.8199       7.751670  7.971283       3.808023  
1 1 1 14 14 3  o 148.8837 1.526693  221.7802       4.545541  221.3819       6.380846  222.1906       6.476964  -0.2703400     3.053386  
1 1 1 14 14 4  o 224.8997 2.009492  503.2518       8.667793  495.6553       10.78109  517.1378       14.57619  -4.705399      4.018983  
1 1 1 14 14 5  o 68.05019 0.8147228 46.25331       1.069727  46.07421       1.344714  46.56199       1.765382  -0.3546829     1.629446  
1 1 1 14 14 6  o 65.44995 0.9784051 42.69719       1.106682  42.54511       1.275376  43.16073       2.226565  -0.4583740     1.956810  
1 1 1 14 14 7  o 62.21117 0.8105017 38.13111       0.9525641 36.99808       1.160802  40.46722       1.666805  -2.782063      1.621003  
1 1 1 14 14 8  o 150.7375 1.623495  229.7004       4.673469  235.0954       5.839691  220.0898       7.794208  5.035400       3.246989  
1 1 1 14 14 9  o 119.0719 1.135768  141.6492       2.602803  140.9645       3.259992  142.8530       4.322752  -0.7639008     2.271537  
1 1 1 14 14 10 o 177.9716 1.608543  317.4987       5.538992  317.9932       7.000863  316.6712       9.056940  0.4552917      3.217085  
1 1 1 14 14 11 o 60.92599 0.9986249 36.54431       1.021286  36.04742       1.158700  38.27440       2.162100  -1.797558      1.997250  
1 1 1 14 14 12 o 141.0874 1.521211  198.8504       3.818495  198.0537       4.470338  201.0004       7.343688  -0.8917847     3.042421  
1 1 1 14 14 13 o 78.76831 1.016659  62.13383       1.601156  64.25929       2.282667  60.07515       2.246517  2.653847       2.033319  
1 1 1 14 14 14 o 107.6157 1.158643  114.7107       2.400587  110.9323       2.989241  121.5734       4.028662  -4.840919      2.317286  
1 1 1 14 14 15 o 27.67181 1.195369  7.551432       0.6550301 6.710549       0.8563383 8.737272       1.016929  -3.641489      2.390738  
1 1 1 14 14 16 f 27.56530 1.161404  7.897560       0.6170831 8.906815       0.8078845 6.484040       0.9560922 4.423691       2.322809  
1 1 1 14 14 17 o 35.18698 1.050367  12.75074       0.7086569 13.61250       0.9020041 11.36104       1.145443  3.251991       2.100735  
1 1 1 14 14 18 o 47.70671 1.103902  22.64587       1.004728  24.11031       1.722067  21.89010       1.237115  2.173660       2.207805  
1 1 1 14 14 19 o 37.11166 1.121438  13.86504       0.8289146 14.85397       1.243105  13.07328       1.112297  2.346252       2.242877  
1 1 1 14 14 20 o 28.69388 1.324141  8.453444       0.7556076 8.251494       1.011217  8.708753       1.136987  -0.6969376     2.648281  
1 1 1 14 14 21 o 34.28681 1.152572  12.31843       0.7708884 13.36042       1.014557  10.89511       1.185755  3.747066       2.305144  
1 1 1 14 14 22 o 12.23794 3.131781  1.790857       1.020329  2.729119       1.510743  1.003927       1.383556  3.905751       6.263562  
1 1 1 14 15 0  o 180.7164 2.731388  327.2117       9.302233  327.0187       11.39896  327.5964       16.09474  0.000000       0.000000  
1 1 1 14 15 1  o 240.1018 2.661685  578.2739       12.54480  581.8899       16.27951  572.9876       19.68327  1.927383       5.323370  
1 1 1 14 15 2  o 206.5453 1.934318  425.4286       7.869609  418.2125       10.23391  435.8696       12.31010  -4.240219      3.868636  
1 1 1 14 15 3  o 117.2413 1.252882  137.4623       2.937263  140.3841       4.201167  134.6684       4.108225  2.436516       2.505764  
1 1 1 14 15 4  o 29.53827 1.138231  9.191556       0.6284756 10.34048       0.7931154 7.252647       1.030315  5.229515       2.276463  
1 1 1 14 15 5  o 77.73782 0.8778645 59.75303       1.298198  58.26246       1.595450  62.67357       2.233259  -2.830368      1.755729  
1 1 1 14 15 6  o 161.1142 1.471020  258.9486       4.560519  256.7001       5.705278  262.9280       7.589930  -1.893555      2.942040  
1 1 1 14 15 7  o 92.37524 1.111326  84.66532       1.806594  83.88844       2.098908  86.88633       3.548881  -1.597031      2.222651  
1 1 1 14 15 8  o 195.8569 2.078476  389.2461       7.798031  401.8212       9.805202  367.6037       12.86332  8.859375       4.156952  
1 1 1 14 15 9  o 31.45962 1.264095  9.495124       0.6569452 9.194497       0.7375482 10.64942       1.445225  -2.290419      2.528190  
1 1 1 14 15 10 o 158.1483 1.653272  255.4530       4.831715  263.8109       5.863196  237.7659       8.529359  8.348831       3.306543  
1 1 1 14 15 11 o 22.52585 1.390084  4.600286       0.5898106 3.736965       0.7038255 6.636507       1.080913  -6.418802      2.780167  
1 1 1 14 15 12 o 85.16286 1.133726  71.88296       1.760453  70.83983       2.088773  74.44106       3.270997  -2.063606      2.267451  
1 1 1 14 15 13 o 78.48152 0.9104958 60.48793       1.343946  58.29405       1.628282  65.17673       2.380421  -4.341118      1.820992  
1 1 1 14 15 14 o 41.61538 0.9824002 17.78604       0.7940282 19.63309       1.042210  15.23067       1.225863  5.306076       1.964800  
1 1 1 14 15 15 o 42.44685 1.051290  17.94934       0.8626256 17.57496       1.083124  18.59868       1.426444  -1.164074      2.102579  
1 1 1 14 15 16 o 54.66146 0.8580427 30.12019       0.9282137 30.94669       1.236626  29.05362       1.404778  1.758007       1.716085  
1 1 1 14 15 17 o 39.04861 0.9654351 15.21592       0.7417927 14.70121       0.9590298 15.98245       1.170356  -1.596512      1.930870  
1 1 1 14 15 18 o 26.22180 1.571686  7.069267       0.8025271 6.749255       1.273592  7.280010       1.033531  -1.118572      3.143373  
1 1 1 14 15 19 o 25.22728 1.686719  6.476875       0.8380653 7.055802       1.325624  6.091434       1.081651  1.750868       3.373438  
1 1 1 14 15 20 o 8.685201 2.485906  0.4277837      0.6667718 0.1341619      0.8610066 0.8676852      1.053877  -2.261130      4.971812  
1 1 1 14 15 21 o 16.01074 2.361772  3.263344       0.7231267 4.071125       0.9114106 1.890838       1.188022  7.103114       4.723545  
1 1 1 14 15 22 o 12.95695 3.424753  2.373490       1.254445  3.055528       1.652044  1.444740       1.927820  3.134770       6.849506  
1 1 1 14 16 0  o 170.4398 2.121594  290.1792       7.214682  303.4218       10.58833  278.7025       9.857078  0.000000       0.000000  
1 1 1 14 16 1  o 64.58258 0.8432326 41.73832       1.082294  41.52147       1.622205  41.91227       1.452937  -0.3038406     1.686465  
1 1 1 14 16 2  o 175.1517 1.666144  304.2299       5.712333  294.0844       7.303732  320.2123       9.167037  -7.429413      3.332288  
1 1 1 14 16 3  f 291.6437 3.214422  856.5803       18.50468  830.6409       28.33027  875.8819       24.43813  -7.884277      6.428845  
1 1 1 14 16 4  o 153.6766 1.417128  234.5923       4.173168  230.4140       5.181517  242.3066       7.040489  -3.838730      2.834256  
1 1 1 14 16 5  o 64.96852 0.8425853 41.52967       1.037018  40.14468       1.266371  44.34901       1.806806  -3.229538      1.685171  
1 1 1 14 16 6  o 17.00929 1.871367  2.517788       0.5744787 1.494406       0.6883966 4.865437       1.042645  -10.07067      3.742734  
1 1 1 14 16 7  o 94.31105 1.116513  86.09663       1.821816  83.37185       2.087067  94.81889       3.734101  -6.036255      2.233026  
1 1 1 14 16 8  o 17.60252 1.867896  3.318417       0.5866018 3.637382       0.7235005 2.706455       1.002144  2.917046       3.735793  
1 1 1 14 16 9  o 113.1507 1.229995  128.1552       2.782520  127.6861       3.880713  128.6516       3.991795  -0.4232254     2.459990  
1 1 1 14 16 10 f 123.5309 1.316254  152.8127       3.251492  152.8901       4.560383  152.7326       4.637187  0.6663513E-01  2.632508  
1 1 1 14 16 11 o 99.78831 1.065875  99.76496       2.096239  100.1596       2.743454  99.21127       3.249414  0.4932938      2.131750  
1 1 1 14 16 12 o 82.84019 0.9303111 69.09796       1.473525  70.09194       1.839291  67.31685       2.462112  1.699699       1.860622  
1 1 1 14 16 13 o 24.62397 1.499534  6.438256       0.6492073 6.891185       0.7709451 5.334087       1.203723  3.201847       2.999068  
1 1 1 14 16 14 o 45.60590 1.019530  20.73945       0.8673083 20.52907       1.049031  21.19389       1.541774  -0.6794930     2.039059  
1 1 1 14 16 15 o 61.07633 0.9134614 37.42625       1.115287  37.79252       1.557955  37.04124       1.597288  0.6196327      1.826923  
1 1 1 14 16 16 o 26.07312 1.315295  6.711374       0.6582683 6.358005       0.8134196 7.381976       1.120552  -1.888800      2.630590  
1 1 1 14 16 17 o 59.13340 0.8736041 35.26715       1.027498  36.57372       1.397996  33.73216       1.515283  2.425865       1.747208  
1 1 1 14 16 18 o 38.66962 1.286173  15.15501       0.9848005 15.13837       1.501318  15.16758       1.304721  -0.1097221     2.572345  
1 1 1 14 16 19 o 16.49396 2.083070  2.849686       0.6672636 2.335463       0.8891368 3.512696       1.009609  -3.725922      4.166141  
1 1 1 14 16 20 o 27.81201 1.921435  9.138876       0.8413616 9.887887       0.9636663 6.737128       1.725623  6.551094       3.842871  
1 1 1 14 16 21 o 7.548687 2.359776  -0.4955206E-01 0.7005767 -0.2828865     0.9488840 0.2300618      1.038731  -1.198719      4.719553  
1 1 1 14 16 22 o 18.29281 3.751014  5.158470       1.350720  6.019401       2.768758  4.889585       1.547338  -1.690800      7.502028  
1 1 1 14 17 0  o 105.2074 2.045186  110.8438       4.299746  110.8438       4.299746  110.8438       4.299746  0.000000       0.000000  
1 1 1 14 17 1  o 110.5312 1.042350  122.1254       2.303399  125.4155       3.312376  119.0446       3.205261  2.880814       2.084701  
1 1 1 14 17 2  o 211.3781 1.976139  446.7148       8.254343  451.3087       12.72394  443.3766       10.84638  1.836792       3.952278  
1 1 1 14 17 3  o 216.5226 1.943566  465.9417       8.065089  457.5516       10.01530  481.4192       13.60280  -5.430511      3.887132  
1 1 1 14 17 4  o 146.2786 1.420715  212.9220       4.080402  207.9854       5.260831  220.3760       6.464505  -4.212799      2.841430  
1 1 1 14 17 5  o 116.3336 1.180423  133.6763       2.672645  128.2497       3.377142  142.7711       4.372010  -6.224258      2.360846  
1 1 1 14 17 6  o 137.5510 1.347892  189.3257       3.662882  189.1214       4.817469  189.6055       5.639254  -0.1577148     2.695784  
1 1 1 14 17 7  o 66.34264 1.021437  43.57859       1.295889  42.51300       1.602582  45.59164       2.202681  -2.308411      2.042873  
1 1 1 14 17 8  o 97.36707 1.050369  95.27680       2.024904  97.93333       2.701359  91.86987       3.059203  3.123085       2.100737  
1 1 1 14 17 9  o 26.83175 1.483099  6.884533       0.6821582 6.599178       0.7764250 7.850282       1.428366  -2.307070      2.966197  
1 1 1 14 17 10 o 61.55040 0.8751429 37.31308       1.008693  36.26168       1.219149  39.59467       1.795945  -2.692211      1.750286  
1 1 1 14 17 11 o 13.70480 2.365254  1.986116       0.5960948 2.052918       0.7011571 1.811955       1.132127  0.7550640      4.730508  
1 1 1 14 17 12 f 46.49095 1.104440  21.15959       0.8520941 20.78304       0.9613552 22.53939       1.840289  -1.841415      2.208879  
1 1 1 14 17 13 o 53.56674 1.017480  29.57829       1.005854  31.04300       1.225220  26.55040       1.761599  4.231136       2.034960  
1 1 1 14 17 14 o 26.44366 1.280181  6.692911       0.6500313 5.925738       0.7965537 8.222286       1.124671  -4.298223      2.560361  
1 1 1 14 17 15 o 71.15987 0.9029545 50.84431       1.276312  51.25403       1.711837  50.33148       1.915189  0.6724701      1.805909  
1 1 1 14 17 16 o 22.90417 1.542508  5.370317       0.6633522 5.472897       0.8138072 5.167214       1.145114  0.7714787      3.085016  
1 1 1 14 17 17 f 25.95101 1.336015  6.712687       0.6761494 6.371688       0.8560194 7.278369       1.102538  -1.667145      2.672030  
1 1 1 14 17 18 o 43.71346 1.699687  19.93093       1.257723  18.99168       2.555003  20.23132       1.444913  -1.998955      3.399374  
1 1 1 14 17 19 f 17.20952 1.979902  3.147217       0.6608998 3.456640       0.9174005 2.813372       0.9529181 2.146797       3.959804  
1 1 1 14 17 20 o 9.526810 2.502104  0.8764484      0.6411957 1.050440       0.8664559 0.6658161      0.9533324 0.9151325      5.004208  
1 1 1 14 17 21 o 8.605039 2.389971  0.7179072E-01  0.7791981 1.499321       0.9947588 -2.194776      1.253457  5.226254       4.779943  
1 1 1 14 17 22 o 14.34880 3.737075  3.112145       1.277685  4.507099       2.578861  2.658336       1.470904  1.803903       7.474149  
1 1 1 14 18 0  o 105.5585 1.791656  108.0947       3.443583  120.3549       6.503521  103.3182       4.059330  0.000000       0.000000  
1 1 1 14 18 1  o 133.8547 1.573757  179.6605       4.128198  177.5757       6.506420  181.0653       5.340913  -1.324631      3.147513  
1 1 1 14 18 2  o 212.6409 1.987173  453.5277       8.385210  458.9980       11.21822  446.6023       12.62258  2.948776       3.974346  
1 1 1 14 18 3  o 73.01450 0.8372934 53.15849       1.220777  56.76920       1.785505  49.98896       1.672872  4.641823       1.674587  
1 1 1 14 18 4  o 215.1188 1.927020  464.3172       8.046012  467.0534       10.22959  459.8784       13.02923  1.744629       3.854039  
1 1 1 14 18 5  f 37.46042 1.012525  14.07961       0.7170682 14.16407       0.8819081 13.91484       1.231776  0.3381119      2.025050  
1 1 1 14 18 6  o 107.2441 1.260168  112.9181       2.479907  109.7556       2.947057  120.5896       4.590044  -5.013527      2.520335  
1 1 1 14 18 7  o 33.50229 1.111681  11.43363       0.6929778 11.80472       0.8455991 10.67475       1.209252  1.695126       2.223363  
1 1 1 14 18 8  o 76.35957 1.127817  58.44076       1.670097  58.69094       2.119533  58.03106       2.712374  0.4487534      2.255633  
1 1 1 14 18 9  o 35.31296 1.099207  12.47239       0.7112960 12.45859       0.8497790 12.50468       1.300008  -0.5211258E-01 2.198414  
1 1 1 14 18 10 o 121.8139 1.166246  149.9327       2.778076  155.5837       3.609515  141.7206       4.351203  5.718246       2.332492  
1 1 1 14 18 11 o 44.42273 1.106918  20.00944       0.8284575 20.22886       0.9471992 19.29517       1.708955  1.081112       2.213835  
1 1 1 14 18 12 o 73.97052 0.9109621 54.62823       1.274243  54.28751       1.562873  55.30385       2.200728  -0.6521454     1.821924  
1 1 1 14 18 13 o 37.58449 1.040402  14.84773       0.7189056 16.13953       0.8833502 12.31386       1.237169  5.119846       2.080803  
1 1 1 14 18 14 o 64.44146 0.8995154 41.80535       1.122513  42.35466       1.424891  40.90677       1.822424  1.160969       1.799031  
1 1 1 14 18 15 o 40.90237 0.9795656 16.70433       0.7867021 16.31205       1.014395  17.29635       1.246161  -1.168140      1.959131  
1 1 1 14 18 16 o 38.46582 1.109294  14.56871       0.8048913 13.93115       0.9767581 15.91762       1.420749  -2.477066      2.218588  
1 1 1 14 18 17 o 24.88155 1.614287  6.298232       0.8004133 6.500078       1.190866  6.131909       1.081003  0.6917992      3.228575  
1 1 1 14 18 18 o 26.01628 1.800301  7.273202       0.8936637 5.827291       1.399369  8.269024       1.161321  -4.849216      3.600602  
1 1 1 14 18 19 o 24.40920 1.767228  6.145495       0.7822830 6.060639       0.9269329 6.355531       1.458326  -0.1694202     3.534456  
1 1 1 14 18 20 o 22.59977 1.581053  5.500941       0.6918119 6.166112       0.9129145 4.603690       1.060280  3.617546       3.162107  
1 1 1 14 18 21 o 12.65763 2.687783  1.977783       0.7298308 2.024352       1.117055  1.943098       0.9640411 0.8903503E-01  5.375565  
1 1 1 14 19 0  f 64.40507 1.454286  41.94308       1.690773  42.38498       2.008635  40.86879       3.131854  0.000000       0.000000  
1 1 1 14 19 1  o 105.2689 1.012849  110.8547       2.132395  111.4158       3.026402  110.3016       3.005036  0.5289536      2.025699  
1 1 1 14 19 2  o 92.64633 1.222768  86.20357       2.233412  83.91772       3.438451  87.87179       2.937435  -2.142365      2.445535  
1 1 1 14 19 3  o 297.1206 2.752360  884.4218       16.15729  878.3959       21.22561  892.7241       24.91494  -2.264618      5.504720  
1 1 1 14 19 4  o 61.33854 1.061697  37.63339       1.302459  37.63339       1.302459  ?              ?         ?              ?         
1 1 1 14 19 5  o 153.2170 1.632057  233.4445       4.466258  231.4895       5.235025  238.6736       8.561515  -2.250900      3.264113  
1 1 1 14 19 6  o 22.29416 2.297980  5.524662       0.7043319 5.744018       0.7722288 4.439225       1.717800  3.327408       4.595960  
1 1 1 14 19 7  o 73.36702 1.057287  54.05727       1.352196  54.25375       1.568008  53.48725       2.670811  0.5506287      2.114574  
1 1 1 14 19 8  f 189.6674 2.043331  361.3416       7.302416  362.3888       8.945106  359.2495       12.64389  1.017014       4.086663  
1 1 1 14 19 9  o 12.38288 2.790065  1.387307       0.6711859 1.301312       0.7544017 1.713865       1.470096  -2.276161      5.580131  
1 1 1 14 19 10 o 42.90242 1.014305  18.55397       0.8120152 18.79066       0.9880495 18.06148       1.425280  0.8645477      2.028611  
1 1 1 14 19 11 o 80.79333 0.9389414 65.91664       1.459112  67.51319       1.839969  63.21142       2.395088  2.684105       1.877883  
1 1 1 14 19 12 o 96.35470 1.056557  92.88112       1.990670  92.31380       2.555642  93.75639       3.174361  -0.7061462     2.113114  
1 1 1 14 19 13 o 67.79907 0.8890517 45.54535       1.131197  44.59413       1.372315  47.56176       1.998032  -2.135918      1.778103  
1 1 1 14 19 14 o 83.82355 0.9477877 70.32748       1.507341  70.01867       1.856256  70.92534       2.582781  -0.4618683     1.895575  
1 1 1 14 19 15 o 24.01631 1.439692  5.906823       0.6652580 6.134152       0.8432029 5.532009       1.082711  1.315748       2.879383  
1 1 1 14 19 16 o 22.35865 1.623258  5.042781       0.7232178 4.662365       0.9736054 5.511108       1.080258  -1.861433      3.246516  
1 1 1 14 19 17 f 21.88737 1.679364  4.942020       0.7244658 5.187384       0.9621926 4.620845       1.100847  1.360800       3.358727  
1 1 1 14 19 18 o 26.67354 1.992924  7.401513       1.062507  7.064904       1.493006  7.746926       1.512406  -1.264568      3.985848  
1 1 1 14 19 19 o 17.43023 2.098288  3.146757       0.6999628 2.452376       0.8905831 4.268860       1.132118  -5.163095      4.196576  
1 1 1 14 19 20 o 9.211863 2.576647  0.6973928      0.6897135 0.5545171      0.8851780 0.9181816      1.100374  -1.358679      5.153294  
1 1 1 14 19 21 o 19.41871 2.564663  4.541068       0.8995745 4.596484       1.090531  4.423064       1.591364  2.027168       5.129326  
1 1 1 14 20 0  o 40.38491 1.250930  16.47563       1.001066  18.16121       1.406637  14.74580       1.424983  0.000000       0.000000  
1 1 1 14 20 1  o 113.8450 1.073073  129.6168       2.442655  131.8601       3.503228  127.4943       3.407626  1.915924       2.146147  
1 1 1 14 20 2  f 184.3140 1.744879  341.2957       6.400257  353.6510       8.726311  326.9113       9.415601  7.271667       3.489758  
1 1 1 14 20 3  o 122.4227 1.233835  150.0392       2.992542  149.4971       4.551116  150.4522       3.971946  -0.4012680     2.467669  
1 1 1 14 20 4  o 54.83035 0.8199658 29.85821       0.8958188 27.51294       1.205695  32.74831       1.338435  -4.772247      1.639932  
1 1 1 14 20 5  o 153.1957 1.622696  235.9748       4.511971  237.2991       5.362762  232.7659       8.347968  1.570969       3.245392  
1 1 1 14 20 6  o 80.39655 0.9599789 64.74407       1.515443  65.03831       1.966894  64.31422       2.377279  0.4595718      1.919958  
1 1 1 14 20 7  o 48.53676 0.9667991 23.36959       0.9027440 22.84767       1.125413  24.31143       1.511805  -1.498569      1.933598  
1 1 1 14 20 8  o 61.13123 1.025857  39.04405       1.131553  41.53965       1.361745  33.47655       2.033939  6.612690       2.051715  
1 1 1 14 20 9  o 147.1803 1.379977  218.1989       3.950699  222.3579       5.058108  211.6921       6.326657  3.678833       2.759953  
1 1 1 14 20 10 o 86.50888 0.9793697 75.17756       1.627585  75.88547       2.040914  73.94081       2.697594  1.146599       1.958739  
1 1 1 14 20 11 o 65.48640 0.9254236 43.32020       1.147233  44.15541       1.417936  41.73716       1.952107  1.871323       1.850847  
1 1 1 14 20 12 o 18.98385 1.883482  3.071149       0.6368298 2.498170       0.7264815 4.972368       1.323339  -6.438022      3.766965  
1 1 1 14 20 13 o 64.23035 0.9278274 41.33989       1.168120  41.26488       1.508301  41.45230       1.846474  -0.1138458     1.855655  
1 1 1 14 20 14 o 37.01722 1.058925  13.56134       0.7022978 13.32116       0.8230686 14.20439       1.346757  -1.122910      2.117850  
1 1 1 14 20 15 o 61.90689 0.9182675 38.30915       1.094048  37.82488       1.367882  39.16896       1.822652  -1.008953      1.836535  
1 1 1 14 20 16 o 18.14925 1.870103  3.490474       0.6267521 3.696654       0.7882084 3.135958       1.033563  1.899363       3.740206  
1 1 1 14 20 17 o 16.88668 2.250997  3.024744       0.7003943 3.037026       0.8577837 3.000175       1.213177  0.6547012      4.501994  
1 1 1 14 20 18 o 7.702899 2.321802  0.1085615      0.6110132 0.1952047      0.7595713 -0.5030561E-01 1.028533  -0.5115142     4.643603  
1 1 1 14 20 19 o 14.68629 2.634279  2.350885       0.7334453 2.048307       0.8837105 3.020712       1.314839  -2.514165      5.268558  
1 1 1 14 20 20 o 7.853955 2.386751  0.6183479E-01  0.7140174 0.6085335      0.8998337 -0.8675988     1.173269  1.687298       4.773502  
1 1 1 14 20 21 o 10.33589 2.995848  1.021115       0.9700067 1.039278       1.229025  0.9911121      1.579626  -0.3877449     5.991697  
1 1 1 14 21 0  o 84.12630 1.593843  72.06396       2.560324  67.05567       4.218096  74.98558       3.221696  0.000000       0.000000  
1 1 1 14 21 1  f 46.09805 1.072534  21.68287       0.9296519 22.57292       1.148152  19.98855       1.584133  2.810345       2.145068  
1 1 1 14 21 2  o 126.4980 1.266398  160.6795       3.179538  164.9227       4.274261  155.4224       4.757558  3.765221       2.532796  
1 1 1 14 21 3  o 154.7076 1.382512  239.5256       4.277194  242.8420       6.106601  236.3318       5.992737  2.101227       2.765024  
1 1 1 14 21 4  o 47.79630 0.8908640 22.84253       0.8420671 22.77328       1.110050  22.93639       1.292357  -0.1675110     1.781728  
1 1 1 14 21 5  o 45.36399 1.060732  20.60246       0.9603317 20.73319       1.318092  20.45456       1.402018  0.3091049      2.121464  
1 1 1 14 21 6  o 88.87517 1.026668  79.40699       1.805867  81.75744       2.407458  76.38288       2.730748  3.032005       2.053335  
1 1 1 14 21 7  o 32.98855 1.264093  10.53012       0.8043776 9.616396       0.9949858 12.25388       1.366616  -3.985487      2.528185  
1 1 1 14 21 8  o 159.6222 1.483812  255.4468       4.576464  255.9893       5.773707  254.5298       7.506196  0.5321198      2.967624  
1 1 1 14 21 9  o 9.598508 2.645563  0.5357251      0.6763186 0.4557461      0.8006871 0.7348778      1.263478  -2.197050      5.291127  
1 1 1 14 21 10 o 47.28305 0.9877416 22.24221       0.8688303 22.00674       1.048194  22.75914       1.553088  -0.7761917     1.975483  
1 1 1 14 21 11 o 71.85945 0.9399471 52.25892       1.290844  53.62650       1.615595  49.84464       2.146598  2.662254       1.879894  
1 1 1 14 21 12 o 45.30270 1.003754  20.29543       0.8664902 19.68808       1.065867  21.47904       1.487940  -1.940578      2.007509  
1 1 1 14 21 13 o 40.16739 1.083414  16.08565       0.8589752 15.57026       1.119441  16.82361       1.339516  -1.535030      2.166828  
1 1 1 14 21 14 o 62.76945 0.9376764 39.78388       1.146948  40.68873       1.474598  38.39810       1.824876  1.869671       1.875353  
1 1 1 14 21 15 o 20.73884 1.720821  4.722768       0.5933628 5.060990       0.6875579 3.735827       1.174504  3.358278       3.441643  
1 1 1 14 21 16 o 27.21717 1.565891  7.089254       0.7433819 6.665399       0.8508899 8.455842       1.527860  -3.038063      3.131782  
1 1 1 14 21 17 o 15.10114 2.267041  2.399032       0.6601084 1.952065       0.8648845 3.022708       1.021644  -3.373949      4.534083  
1 1 1 14 21 18 o 25.54278 1.647658  6.444488       0.8243346 5.258284       1.049146  8.358297       1.332618  -5.886969      3.295315  
1 1 1 14 21 19 o 27.09906 1.423576  7.593529       0.7564698 7.445248       0.9746799 7.818158       1.199634  -0.4708004     2.847152  
1 1 1 14 21 20 o 21.15321 1.851752  4.788267       0.7772669 4.140151       1.030850  5.642242       1.183293  -3.298206      3.703504  
1 1 1 14 21 21 o 11.91686 3.118594  1.717705       1.000519  0.9439837      1.291318  2.879842       1.582595  -4.240580      6.237189  
1 1 1 14 22 0  o 168.8255 2.116805  285.5913       7.142118  288.7480       10.14886  282.4941       10.05279  0.000000       0.000000  
1 1 1 14 22 1  o 66.32330 0.8880372 43.96700       1.164738  43.74962       1.534593  44.26237       1.788865  -0.3824692     1.776074  
1 1 1 14 22 2  o 22.90206 1.380700  5.212118       0.6301095 4.752161       0.8499568 5.773355       0.9388837 -2.227180      2.761400  
1 1 1 14 22 3  o 40.80698 1.157386  15.47023       0.8590397 13.99430       1.001850  19.56860       1.669458  -6.814804      2.314773  
1 1 1 14 22 4  o 123.9509 1.153997  153.6681       2.859698  157.4146       4.113970  150.1653       3.977909  2.920753       2.307993  
1 1 1 14 22 5  o 69.60220 0.8486127 48.44741       1.179122  48.11438       1.616442  48.82614       1.723789  -0.5090027     1.697225  
1 1 1 14 22 6  o 118.6030 1.312663  140.7297       3.111308  138.2089       4.301446  143.4956       4.505770  -2.221954      2.625327  
1 1 1 14 22 7  f 20.36845 2.156674  4.689411       0.7724915 5.991288       1.000942  2.771842       1.214785  8.177317       4.313349  
1 1 1 14 22 8  o 55.85241 1.007176  31.56371       1.109769  33.79782       1.486557  28.75108       1.667960  4.523754       2.014351  
1 1 1 14 22 9  o 113.4445 1.199410  128.6429       2.681338  127.5070       3.497145  130.2630       4.176673  -1.186058      2.398820  
1 1 1 14 22 10 o 71.69189 0.9880034 51.58715       1.393236  52.15754       1.818355  50.77620       2.168143  0.9797134      1.976007  
1 1 1 14 22 11 o 113.6521 1.807068  131.5342       3.568206  133.2068       4.141748  126.7182       7.027894  3.182457       3.614135  
1 1 1 14 22 12 o 44.87712 1.026626  20.31003       0.9031618 20.79478       1.174487  19.60860       1.412807  1.345043       2.053251  
1 1 1 14 22 13 o 52.01575 0.9084592 27.85159       0.8966205 29.67676       1.126219  24.69229       1.481721  4.827274       1.816918  
1 1 1 14 22 14 o 34.25771 1.080847  11.45214       0.6695331 11.00726       0.7857240 12.63158       1.279340  -2.277611      2.161694  
1 1 1 14 22 15 o 37.32944 1.306105  13.72271       0.8614320 13.33633       0.9991662 14.84152       1.700245  -1.826138      2.612209  
1 1 1 14 22 16 o 25.47564 1.444565  6.619739       0.7222949 6.729892       0.9402812 6.461169       1.128150  0.6013451      2.889131  
1 1 1 14 22 17 o 33.63195 1.449292  11.28687       0.9495821 10.42070       1.195276  12.76895       1.563524  -3.290922      2.898583  
1 1 1 14 22 18 o 42.84149 1.071062  18.61776       0.9039143 18.68123       1.182024  18.52837       1.402797  0.2776222      2.142124  
1 1 1 14 22 19 o 29.62473 1.310173  8.916421       0.7572261 8.437840       0.9592964 9.707567       1.233396  -1.904213      2.620345  
1 1 1 14 22 20 o 15.65568 2.617282  2.986032       0.8087702 3.246514       1.130038  2.712489       1.158023  1.691587       5.234563  
1 1 1 14 22 21 o 13.73034 3.683830  3.063091       1.363573  3.322643       2.349070  2.931192       1.674577  -0.6067562E-01 7.367661  
1 1 1 14 23 0  o 175.1900 2.192118  307.5101       7.672665  303.7791       10.68489  311.4821       11.02465  0.000000       0.000000  
1 1 1 14 23 1  o 164.3415 1.583613  269.8627       5.134649  266.8458       6.712966  274.1162       7.970997  -2.171814      3.167225  
1 1 1 14 23 2  o 122.5337 1.237078  149.8274       2.988969  147.6234       3.898964  152.9687       4.654859  -2.161179      2.474155  
1 1 1 14 23 3  o 76.20439 0.8824445 58.09800       1.344445  57.97446       1.875520  58.22857       1.928239  -0.1656265     1.764889  
1 1 1 14 23 4  o 85.07802 1.160761  72.40749       1.825473  72.33475       2.195746  72.57027       3.284866  -0.1070480     2.321521  
1 1 1 14 23 5  o 177.2400 1.807049  314.7763       6.403821  311.1528       8.931634  318.6096       9.186486  -2.091995      3.614098  
1 1 1 14 23 6  o 179.2125 1.722790  321.7574       6.100631  321.0199       8.025107  322.7669       9.389958  -0.4246521     3.445580  
1 1 1 14 23 7  o 43.21553 1.066545  18.75641       0.8633826 18.87324       1.052440  18.51598       1.509822  0.4280205      2.133089  
1 1 1 14 23 8  o 62.77588 0.9514385 38.80720       1.128253  37.57534       1.374207  41.35491       1.976280  -2.991146      1.902877  
1 1 1 14 23 9  o 98.58701 1.061017  97.36217       2.005734  97.47947       2.503902  97.15214       3.350673  0.2009888      2.122034  
1 1 1 14 23 10 o 63.08775 0.9605662 40.55286       1.153226  42.25745       1.442785  37.53704       1.919084  3.768051       1.921132  
1 1 1 14 23 11 o 70.96782 1.125358  51.57685       1.382779  52.70343       1.605821  48.34528       2.719709  3.162422       2.250716  
1 1 1 14 23 12 o 10.29380 2.558237  0.9070068      0.6975923 1.433939       0.9042309 0.1323105      1.096397  3.020290       5.116474  
1 1 1 14 23 13 o 60.24686 1.045336  37.36338       1.102170  38.41090       1.289350  34.52072       2.123991  3.336628       2.090672  
1 1 1 14 23 14 o 29.53331 1.546675  9.270776       0.7985554 9.812144       0.9425434 7.893715       1.503251  3.398207       3.093350  
1 1 1 14 23 15 o 32.33687 1.164800  10.63055       0.6795990 10.74887       0.8060270 10.33960       1.263939  0.7451458      2.329601  
1 1 1 14 23 16 o 37.03062 1.544606  14.91410       0.7929489 15.32145       0.8621108 12.67653       2.020541  4.030422       3.089213  
1 1 1 14 23 17 f 23.13077 1.607759  5.468226       0.7268018 5.385309       0.9309932 5.597619       1.162996  -0.3256130     3.215518  
1 1 1 14 23 18 o 12.15121 2.732191  1.641012       0.7341316 1.491664       0.9467416 1.866243       1.162642  -1.202317      5.464382  
1 1 1 14 23 19 o 31.71554 1.312309  10.45970       0.8247077 10.67247       1.101927  10.18876       1.243488  0.9028206      2.624619  
1 1 1 14 23 20 o 42.94392 1.459682  19.20855       1.230068  21.26308       1.973327  17.90293       1.573087  3.334408       2.919364  
1 1 1 14 24 0  o 89.35368 1.336045  79.99838       2.384973  80.13788       3.349804  79.85498       3.396400  0.000000       0.000000  
1 1 1 14 24 1  o 91.86487 1.140310  85.00391       2.007295  86.38658       2.513524  82.56959       3.335126  2.100151       2.280620  
1 1 1 14 24 2  o 142.9678 1.303015  204.6185       3.725330  203.0494       5.220321  206.2467       5.317857  -1.114975      2.606030  
1 1 1 14 24 3  o 37.28265 1.173238  13.32361       0.8449234 11.81346       1.044297  16.18584       1.437693  -5.852154      2.346477  
1 1 1 14 24 4  o 207.3130 2.215039  433.2136       8.734027  425.0048       14.78346  437.6151       10.82525  -3.259323      4.430077  
1 1 1 14 24 5  f 115.5102 1.289977  133.6026       2.979702  136.2588       4.216479  130.9528       4.211394  2.296577       2.579954  
1 1 1 14 24 6  o 87.47919 1.178323  77.70861       1.945469  80.06638       2.404402  73.23846       3.310691  3.933578       2.356647  
1 1 1 14 24 7  o 122.2383 1.398329  148.4448       3.031776  147.0125       3.537933  152.4039       5.882085  -2.099747      2.796658  
1 1 1 14 24 8  o 127.8355 1.439212  162.9432       3.280454  161.9613       3.843486  165.5777       6.295533  -1.290771      2.878424  
1 1 1 14 24 9  o 27.17698 1.694716  7.400284       0.9211454 7.400284       0.9211454 ?              ?         ?              ?         
1 1 1 14 24 10 o 40.42939 1.599864  16.16322       0.9683127 16.03339       1.060049  16.81745       2.379570  -0.8401299     3.199728  
1 1 1 14 24 11 o 54.15329 1.069814  28.46294       1.000633  27.57665       1.145634  31.31440       2.054915  -3.362274      2.139628  
1 1 1 14 24 12 o 23.53401 1.823941  5.841988       0.7732413 6.219694       0.9304435 4.998778       1.390212  2.679466       3.647881  
1 1 1 14 24 13 o 25.21759 1.409209  6.455114       0.6510175 6.523780       0.7802866 6.297825       1.180956  0.5270844      2.818418  
1 1 1 14 24 14 f 46.70727 0.9675713 21.37200       0.8303066 20.55567       0.9856989 23.36632       1.540669  -2.897240      1.935143  
1 1 1 14 24 15 o 41.57458 1.250379  17.65566       0.8847772 17.83605       1.016526  17.09192       1.797019  1.113548       2.500758  
1 1 1 14 24 16 o 8.505165 2.444394  0.3022152      0.5823870 0.1722988      0.6773515 0.6705523      1.140525  -2.822336      4.888787  
1 1 1 14 24 17 o 20.49620 1.868111  4.266634       0.7569266 3.621686       0.9882744 5.181845       1.177270  -3.664616      3.736223  
1 1 1 14 24 18 o 19.18588 1.995539  3.873410       0.7459272 3.652860       0.9430655 4.241964       1.219099  -1.191008      3.991079  
1 1 1 14 24 19 o 13.11372 2.771544  2.066313       0.8003852 1.565210       1.128022  2.574395       1.135850  -3.019899      5.543087  
1 1 1 14 24 20 o 16.54658 2.903223  3.483445       0.9572660 3.445923       1.364542  3.519805       1.343266  -0.2630806     5.806446  
1 1 1 14 25 0  o 49.33904 1.552956  24.36569       1.428261  24.10610       1.733943  24.91353       2.518913  0.000000       0.000000  
1 1 1 14 25 1  o 141.9499 1.494267  201.6351       4.239538  196.9509       5.869961  206.7431       6.129695  -3.439423      2.988535  
1 1 1 14 25 2  o 121.3215 1.250422  147.1845       2.990197  146.3695       3.905301  148.3392       4.648753  -0.7884979     2.500844  
1 1 1 14 25 3  f 119.6191 1.225561  143.2157       2.905856  143.4436       4.415714  143.0417       3.859267  0.1506195      2.451122  
1 1 1 14 25 4  o 71.04814 0.9614104 50.69028       1.359337  48.46128       1.998684  52.60871       1.854221  -2.922470      1.922821  
1 1 1 14 25 5  o 21.37864 1.658744  4.579111       0.7068702 4.090261       0.9845080 5.099268       1.015545  -2.358341      3.317488  
1 1 1 14 25 6  o 79.28183 0.9116557 62.89341       1.445253  62.40670       2.020190  63.40366       2.068457  -0.6273117     1.823311  
1 1 1 14 25 7  o 29.00344 1.491913  8.103626       0.8079802 7.571145       0.9668548 9.336432       1.471146  -3.017199      2.983826  
1 1 1 14 25 8  o 80.88728 0.9886375 65.50018       1.532758  65.49339       1.911846  65.51237       2.564404  0.1486206E-01  1.977275  
1 1 1 14 25 9  o 81.38084 1.004094  65.20039       1.537195  63.08820       1.864372  69.68503       2.716630  -4.000839      2.008188  
1 1 1 14 25 10 o 80.98511 1.047022  65.54130       1.668319  64.66219       2.165632  66.82458       2.616530  -1.299667      2.094044  
1 1 1 14 25 11 o 21.40498 2.195514  4.746955       0.8998773 3.723848       1.262686  5.802899       1.282789  -5.120558      4.391028  
1 1 1 14 25 12 o 45.12718 1.004642  20.99974       0.8529532 22.25839       1.060225  18.69054       1.436068  3.998692       2.009283  
1 1 1 14 25 13 o 66.41425 0.9306116 44.32051       1.158372  44.34769       1.411000  44.26434       2.028713  0.1661911      1.861223  
1 1 1 14 25 14 o 34.07389 1.328216  11.63236       0.7529456 11.55225       0.8530000 11.91497       1.602246  -0.3306351     2.656431  
1 1 1 14 25 15 o 39.34953 1.060966  15.29236       0.7768185 14.75912       0.9325464 16.50117       1.404072  -2.080051      2.121932  
1 1 1 14 25 16 o 44.44852 1.080694  19.63753       0.9082515 18.94854       1.107054  21.05613       1.588524  -2.188839      2.161387  
1 1 1 14 25 17 o 33.05540 1.285218  10.98003       0.8322553 10.45595       1.063373  11.80858       1.337055  -1.912167      2.570437  
1 1 1 14 25 18 o 6.646540 2.192472  -0.6689102     0.6823764 -0.6730925     0.8498245 -0.6613196     1.144868  -1.187695      4.384944  
1 1 1 14 25 19 o 14.58798 2.564333  2.342013       0.7883916 1.179693       1.007877  4.174460       1.265496  -8.523945      5.128667  
1 1 1 14 25 20 o 13.41265 2.690684  2.147402       0.9609046 -0.7482933E-02 1.370474  4.231147       1.347662  -9.933842      5.381368  
1 1 1 14 26 0  o 126.5407 1.684296  160.4580       4.259226  161.3336       6.038499  159.5910       6.008523  0.000000       0.000000  
1 1 1 14 26 1  o 110.8265 1.344235  121.3383       2.755662  118.7448       3.300394  127.3081       5.007322  -3.804626      2.688471  
1 1 1 14 26 2  o 116.9178 1.359028  135.8013       2.988345  140.0648       5.241275  133.7477       3.637508  2.644295       2.718055  
1 1 1 14 26 3  o 176.8851 1.695467  314.0522       5.953155  309.7084       8.952090  317.4961       7.971103  -2.247467      3.390935  
1 1 1 14 26 4  o 137.2067 1.549298  190.4172       4.068384  182.3850       6.751426  194.9969       5.097931  -4.671661      3.098596  
1 1 1 14 26 5  o 98.41844 1.079628  97.09598       2.109321  95.86953       3.172250  98.06796       2.824075  -1.129059      2.159256  
1 1 1 14 26 6  o 94.41804 1.063787  89.41974       1.994095  87.75087       2.992440  90.75275       2.674431  -1.601257      2.127573  
1 1 1 14 26 7  o 43.29624 1.042605  18.79421       0.8940207 18.57652       1.358613  18.96046       1.187304  -0.4502983     2.085211  
1 1 1 14 26 8  o 81.49962 1.057664  65.76391       1.683344  63.14602       2.140155  70.01106       2.725961  -4.178787      2.115328  
1 1 1 14 26 9  o 49.12013 1.224912  22.98177       1.037313  21.89346       1.182527  26.61457       2.160502  -4.728603      2.449824  
1 1 1 14 26 10 o 50.95407 1.000151  25.56789       0.9479803 24.80595       1.138677  27.28867       1.711209  -2.383232      2.000302  
1 1 1 14 26 11 o 66.17188 0.9598583 43.29185       1.194597  42.14599       1.450502  45.70764       2.106104  -2.625252      1.919717  
1 1 1 14 26 12 o 12.72587 2.388474  1.978313       0.6351719 2.425346       0.7096817 0.1784710      1.424002  5.542317       4.776948  
1 1 1 14 26 13 o 31.31556 1.205398  9.741257       0.6963596 9.522305       0.8322874 10.25224       1.271450  -1.066067      2.410797  
1 1 1 14 26 14 o 26.51546 1.490528  7.343057       0.7257589 7.715857       0.8817254 6.559841       1.278017  2.305573       2.981056  
1 1 1 14 26 15 o 8.752287 2.492321  -0.1699844     0.6096118 -0.6149175     0.6908100 1.395941       1.295976  -6.507911      4.984642  
1 1 1 14 26 16 o 44.44847 1.062828  20.38228       0.8810866 21.15462       1.079867  18.84410       1.523944  2.765823       2.125657  
1 1 1 14 26 17 o 38.81905 1.220638  15.78290       0.9116316 17.09470       1.172927  13.78137       1.448829  4.439041       2.441276  
1 1 1 14 26 18 o 11.03825 2.628986  1.184203       0.7329407 0.4314169      0.9726999 2.173089       1.114850  -4.988214      5.257971  
1 1 1 14 26 19 o 9.689903 2.866641  0.5346590      0.9059150 0.4749281E-01  1.132263  1.401289       1.510169  -3.209060      5.733282  
1 1 1 14 26 20 o 20.90420 4.706833  0.000000       0.000000  ?              ?         6.250837       1.920434  ?              ?         
1 1 1 14 27 0  o 160.9942 2.909692  259.8863       9.362040  259.8863       9.362040  259.8863       9.362040  0.000000       0.000000  
1 1 1 14 27 1  f 145.7614 1.436964  212.0387       4.129896  208.2888       5.383239  217.4029       6.438519  -3.082825      2.873928  
1 1 1 14 27 2  o 17.95650 1.961949  3.231426       0.7028978 3.188177       0.9584236 3.281761       1.033964  -0.2561798     3.923898  
1 1 1 14 27 3  o 102.9549 1.115759  105.8406       2.267873  107.7972       3.514499  104.4445       2.968665  1.609200       2.231517  
1 1 1 14 27 4  o 166.5724 1.493757  277.9515       4.975172  274.2155       6.944244  281.8916       7.131401  -2.294907      2.987515  
1 1 1 14 27 5  o 34.42071 1.144085  11.87056       0.7870609 11.43757       1.117987  12.29602       1.108221  -1.247368      2.288169  
1 1 1 14 27 6  o 69.09207 0.8942155 47.78311       1.235528  48.28578       1.740823  47.27289       1.753852  0.7334366      1.788431  
1 1 1 14 27 7  o 95.00911 0.9951027 90.39742       1.890540  90.83251       2.652386  89.94808       2.695387  0.4675217      1.990205  
1 1 1 14 27 8  o 102.2763 1.267048  102.9518       2.285619  100.8283       2.651953  109.0848       4.506862  -3.887070      2.534096  
1 1 1 14 27 9  o 44.16474 1.093359  18.85361       0.9085104 17.60264       1.094809  21.62021       1.628128  -4.500946      2.186718  
1 1 1 14 27 10 o 19.25234 2.493165  3.570716       0.8702524 3.023757       1.038489  4.860683       1.594827  -4.505722      4.986329  
1 1 1 14 27 11 o 13.86391 2.677491  2.120094       0.6780249 2.266492       0.7558912 1.517321       1.533799  1.758405       5.354983  
1 1 1 14 27 12 o 18.28990 1.936036  3.013390       0.6483800 2.154153       0.7731186 5.050550       1.190425  -7.971782      3.872073  
1 1 1 14 27 13 o 49.06516 0.9742298 23.77946       0.8828775 23.11119       1.054779  25.34331       1.613557  -2.158775      1.948460  
1 1 1 14 27 14 o 26.98880 1.493489  7.190745       0.7631973 6.789584       0.9278452 8.029977       1.342014  -2.148418      2.986979  
1 1 1 14 27 15 o 25.46728 1.675718  6.181576       0.7759432 5.613528       0.9057832 7.747898       1.504085  -3.902418      3.351437  
1 1 1 14 27 16 o 11.41577 2.458822  1.481131       0.6066976 1.716742       0.7082651 0.8317921      1.175801  2.327292       4.917645  
1 1 1 14 27 17 o 9.749121 2.553183  0.9335951      0.6270284 1.069368       0.7243609 0.5277615      1.252342  0.3730221      5.106367  
1 1 1 14 27 18 o 34.04706 1.388012  12.06982       0.9436789 11.82432       1.293818  12.34887       1.379418  -0.6776161     2.776024  
1 1 1 14 27 19 o 15.82332 2.755736  2.996967       0.8614774 2.291486       1.101627  4.107539       1.382183  -4.669670      5.511472  
1 1 1 14 28 0  o 85.86635 1.368194  73.84794       2.346058  76.11223       3.374727  71.73017       3.263712  0.000000       0.000000  
1 1 1 14 28 1  o 32.42391 1.395794  10.35463       0.8974236 12.08185       1.379754  9.088138       1.181485  4.607586       2.791589  
1 1 1 14 28 2  o 134.0561 1.441198  180.0260       3.863509  178.2453       5.410489  181.8787       5.518774  -1.350052      2.882397  
1 1 1 14 28 3  o 56.61361 1.172107  32.14463       1.213021  32.22083       1.447876  31.96523       2.221704  0.2555885      2.344213  
1 1 1 14 28 4  o 52.80323 0.9948677 27.78937       1.040645  27.07919       1.371958  28.75153       1.596912  -1.575752      1.989735  
1 1 1 14 28 5  o 86.51240 1.032788  74.33813       1.755576  71.90656       2.262604  78.01660       2.782901  -3.510818      2.065577  
1 1 1 14 28 6  o 27.76532 1.381021  7.533034       0.7546802 6.688832       0.9676601 8.843770       1.205749  -3.865171      2.762043  
1 1 1 14 28 7  o 83.05170 1.028342  68.76749       1.672967  67.47333       2.148736  70.75957       2.665899  -1.944901      2.056685  
1 1 1 14 28 8  o 24.61496 2.097705  6.242854       0.8612817 6.354538       0.9829227 5.873543       1.787393  1.090420       4.195410  
1 1 1 14 28 9  o 27.49244 1.700545  6.907176       0.7888736 6.364907       0.8856642 8.989271       1.735452  -4.634026      3.401091  
1 1 1 14 28 10 o 53.86345 0.9756712 29.40213       1.001752  30.14796       1.249788  28.06192       1.675328  1.980019       1.951342  
1 1 1 14 28 11 o 63.04274 1.003690  40.20126       1.248713  42.04166       1.660032  37.80270       1.895119  3.393200       2.007380  
1 1 1 14 28 12 f 41.08697 1.073423  16.91768       0.8226724 16.80202       0.9960104 17.16598       1.459370  -0.3521729     2.146846  
1 1 1 14 28 13 f 20.75038 1.811674  4.507669       0.6850044 4.694106       0.8255325 4.095550       1.227383  1.592556       3.623348  
1 1 1 14 28 14 o 8.430313 2.525679  0.2258272      0.6682598 0.4126391      0.7600840 -0.4102435     1.402530  -0.6977129     5.051358  
1 1 1 14 28 15 o 19.70397 2.168212  3.854681       0.7084278 3.616156       0.8041130 4.681812       1.497397  -1.826012      4.336423  
1 1 1 14 28 16 o 20.39063 2.007081  4.602313       0.6804395 4.847661       0.7972331 3.944101       1.305799  2.861649       4.014163  
1 1 1 14 28 17 o 22.53385 1.804339  4.965071       0.7547070 4.312712       0.8912730 6.618086       1.418749  -4.464638      3.608678  
1 1 1 14 28 18 o 9.513149 2.721644  0.7357526      0.8164170 1.029084       1.094637  0.3680284      1.225608  1.126101       5.443288  
1 1 1 14 28 19 o 13.38636 2.908240  2.263424       0.8887865 3.107968       1.289104  1.498222       1.227058  4.395630       5.816479  
1 1 1 14 29 0  o 7.167683 3.077358  -0.4318721     0.9945345 1.413878       1.365111  -2.519669      1.451863  0.000000       0.000000  
1 1 1 14 29 1  o 85.97192 1.102870  73.99802       1.896306  74.32439       2.687119  73.67422       2.676475  0.3777313      2.205741  
1 1 1 14 29 2  f 10.84785 2.840187  0.9174350      0.8041438 0.8974860      1.293219  0.9300107      1.026789  0.6176949      5.680374  
1 1 1 14 29 3  o 52.88472 1.140033  27.99122       1.203424  27.78672       1.648016  28.22483       1.761436  -0.4095078     2.280066  
1 1 1 14 29 4  o 117.9686 1.141278  139.2929       2.691505  136.8955       3.739861  141.8687       3.876541  -2.101585      2.282556  
1 1 1 14 29 5  o 89.13458 0.9737693 79.54643       1.735827  80.77895       2.465421  78.33485       2.444375  1.370026       1.947539  
1 1 1 14 29 6  o 74.11198 0.9169113 54.79655       1.355723  52.14393       1.839929  57.94740       2.005291  -3.905876      1.833823  
1 1 1 14 29 7  o 76.95985 1.154085  59.28819       1.646764  59.13908       1.985149  59.61722       2.948838  -0.2373886     2.308171  
1 1 1 14 29 8  o 106.4574 1.058628  113.5632       2.252949  117.2643       3.245392  110.1205       3.130040  3.343941       2.117257  
1 1 1 14 29 9  o 97.27245 1.122872  94.78568       2.148415  93.94626       2.790180  96.00816       3.367136  -0.9919739     2.245743  
1 1 1 14 29 10 o 91.68016 1.192665  84.53154       1.958055  84.59508       2.304493  84.36658       3.713238  0.3318558      2.385331  
1 1 1 14 29 11 o 34.56313 1.237784  12.08889       0.8459502 12.40004       1.123831  11.68209       1.285013  1.074108       2.475569  
1 1 1 14 29 12 o 22.57618 1.917564  5.950823       0.7149450 7.011738       0.8710962 3.761215       1.251437  7.587677       3.835128  
1 1 1 14 29 13 o 38.56502 1.160427  15.01588       0.8637858 15.04623       1.088457  14.96427       1.419634  0.1954765      2.320855  
1 1 1 14 29 14 o 13.08899 2.467014  2.145355       0.6872956 2.632253       0.7689758 0.2117622      1.532415  5.903071       4.934028  
1 1 1 14 29 15 o 21.79014 1.856522  4.852962       0.7933640 4.611444       1.015967  5.230401       1.270069  -1.250040      3.713044  
1 1 1 14 29 16 o 18.78668 2.229135  4.048617       0.7226301 4.339684       0.8649749 3.376042       1.314854  3.385464       4.458271  
1 1 1 14 29 17 o 40.53708 1.138256  17.13605       0.8417508 17.59084       1.011333  16.11061       1.518587  2.211838       2.276511  
1 1 1 14 29 18 o 15.79661 3.298339  2.916068       0.9755024 2.490527       1.107344  4.390719       2.061372  -3.161105      6.596677  
1 1 1 14 29 19 o 11.38799 3.092274  1.528115       1.001517  2.729579       1.600413  0.7547578      1.284005  4.132211       6.184548  
1 1 1 14 30 0  o 43.68383 1.808333  19.33991       1.438262  19.38393       1.723222  19.23884       2.611210  0.000000       0.000000  
1 1 1 14 30 1  o 134.1682 1.534656  179.3751       3.868035  177.3118       4.707468  183.6635       6.786641  -2.245911      3.069311  
1 1 1 14 30 2  f 147.7612 1.355954  218.7607       4.006674  216.8851       5.614704  220.7068       5.719329  -1.287460      2.711909  
1 1 1 14 30 3  o 115.6104 1.131498  133.8324       2.615491  132.3118       3.647125  135.4424       3.752867  -1.348610      2.262995  
1 1 1 14 30 4  o 80.01717 1.044185  64.07645       1.649140  64.46720       2.550465  63.79571       2.161883  0.3983841      2.088371  
1 1 1 14 30 5  o 72.58183 1.010643  52.88630       1.448211  52.08830       2.225486  53.47243       1.907293  -0.9739075     2.021285  
1 1 1 14 30 6  o 68.60567 0.9780259 47.44058       1.328350  49.47047       1.779953  44.88896       1.995633  3.352997       1.956052  
1 1 1 14 30 7  o 93.44714 0.9879648 87.53011       1.846354  88.50398       2.627046  86.57947       2.595517  1.026955       1.975930  
1 1 1 14 30 8  o 34.25575 1.233376  11.67507       0.8131000 12.19267       1.361340  11.38802       1.013798  1.130497       2.466752  
1 1 1 14 30 9  o 85.76675 1.015404  73.66286       1.673539  73.29604       2.092036  74.31477       2.788965  -0.5138245     2.030808  
1 1 1 14 30 10 o 45.73675 1.062965  21.55534       0.9068757 22.63091       1.114990  19.45311       1.558805  3.539127       2.125930  
1 1 1 14 30 11 o 50.47740 1.011109  25.10338       0.9525998 24.23121       1.146527  27.04759       1.711813  -2.682869      2.022218  
1 1 1 14 30 12 o 22.85335 1.642194  4.858280       0.7078871 4.051413       0.8463242 6.737456       1.291575  -5.719667      3.284388  
1 1 1 14 30 13 o 32.52964 1.508210  10.31934       0.9163712 9.577077       1.096228  12.04129       1.669670  -3.548174      3.016420  
1 1 1 14 30 14 o 18.52333 2.570091  3.695035       0.8244675 3.680934       0.9590279 3.734979       1.614025  0.7516842      5.140181  
1 1 1 14 30 15 o 13.12710 2.836682  1.831614       0.7918113 1.569946       0.9942909 2.285249       1.309156  -2.227596      5.673363  
1 1 1 14 30 16 o 14.37127 2.538188  2.473773       0.7051015 2.686968       0.8536756 2.016101       1.250780  2.545062       5.076376  
1 1 1 14 30 17 f 15.49922 2.645305  3.199633       0.7906901 3.657766       0.9135596 1.831817       1.578536  6.028407       5.290610  
1 1 1 14 30 18 o 18.18069 2.755770  4.119216       1.000507  5.409777       1.430171  2.882236       1.400168  6.918718       5.511540  
1 1 1 14 31 0  o 6.831704 3.112959  -0.2528664     1.040500  0.7631565      1.368538  -1.644804      1.601825  0.000000       0.000000  
1 1 1 14 31 1  o 14.27730 2.698916  2.138186       0.7869706 2.287788       1.075553  1.965808       1.154528  0.9753590      5.397832  
1 1 1 14 31 2  o 84.15948 1.042958  71.11086       1.741878  72.35034       2.334249  69.55335       2.616640  1.677475       2.085916  
1 1 1 14 31 3  o 84.27050 0.9630675 71.11649       1.622867  70.56617       2.269976  71.69185       2.321036  -0.6649170     1.926135  
1 1 1 14 31 4  o 21.72149 1.716156  4.773632       0.7370318 5.636858       1.047447  3.927102       1.037268  3.934507       3.432313  
1 1 1 14 31 5  o 43.45212 1.063967  18.86882       0.9213514 18.32491       1.244114  19.52943       1.371098  -1.376762      2.127935  
1 1 1 14 31 6  o 32.39602 1.152647  10.57259       0.7436253 11.48615       1.039606  9.615453       1.064113  2.889742       2.305295  
1 1 1 14 31 7  o 41.48701 1.217487  16.97034       0.9463097 18.17926       1.686283  16.41461       1.143310  2.060196       2.434975  
1 1 1 14 31 8  o 27.15142 1.390651  7.151993       0.7402955 8.842033       1.200439  6.114830       0.9404061 4.983099       2.781303  
1 1 1 14 31 9  o 67.68959 1.020969  45.88933       1.368259  45.26320       1.805399  46.73425       2.097254  -1.047684      2.041939  
1 1 1 14 31 10 o 66.16558 1.018868  44.08333       1.331136  44.45612       1.752808  43.57537       2.046050  0.7202148      2.037735  
1 1 1 14 31 11 o 25.27352 1.485568  5.951256       0.7004430 5.137313       0.8298352 7.968049       1.306247  -5.447214      2.971137  
1 1 1 14 31 12 o 32.78864 1.324717  11.03341       0.8117328 11.33839       0.9937351 10.42187       1.407182  1.523483       2.649435  
1 1 1 14 31 13 o 14.39804 2.761012  2.257175       0.8108367 2.101553       1.082695  2.455932       1.223579  -1.064210      5.522024  
1 1 1 14 31 14 o 35.25967 1.599622  13.00668       1.072866  13.65406       1.346995  11.88335       1.774350  2.752857       3.199244  
1 1 1 14 31 15 o 37.17858 1.492236  14.71679       0.9175923 15.15349       1.048498  13.28815       1.896430  3.045246       2.984473  
1 1 1 14 31 16 o 18.62702 1.861596  3.674067       0.6727716 3.602029       0.8516884 3.793613       1.097147  -0.2106743     3.723193  
1 1 1 14 31 17 o 16.15498 2.702938  3.091557       0.7652663 3.053692       0.8699522 3.221095       1.609074  1.260637       5.405876  
1 1 1 14 31 18 o 22.34440 1.999291  5.469170       0.8239232 5.318980       0.9887551 5.810405       1.490371  -0.1045742     3.998581  
1 1 1 14 32 0  o 7.797018 3.318861  0.4632265      1.011282  1.225835       1.281017  -0.7981274     1.647489  0.000000       0.000000  
1 1 1 14 32 1  o 128.0353 1.313762  164.0175       3.321285  161.7957       4.349038  167.1264       5.144558  -2.014046      2.627524  
1 1 1 14 32 2  o 156.6881 1.434322  246.4204       4.494492  244.6092       6.310099  248.2855       6.403269  -1.164398      2.868643  
1 1 1 14 32 3  o 29.86273 1.358432  8.823062       0.8055605 7.695335       1.070353  10.29633       1.223393  -4.341175      2.716864  
1 1 1 14 32 4  o 45.86095 1.069773  20.93639       0.9691861 20.18866       1.264983  21.99918       1.508123  -1.954151      2.139547  
1 1 1 14 32 5  o 43.67431 1.224058  18.96982       0.9884826 18.68539       1.185429  19.61894       1.790811  -1.001495      2.448116  
1 1 1 14 32 6  o 66.32836 0.9477477 43.84803       1.244699  45.89229       1.917919  42.36051       1.636036  2.635132       1.895495  
1 1 1 14 32 7  o 20.73741 1.692662  4.367020       0.6945657 4.106001       1.042882  4.575093       0.9311204 -1.151075      3.385323  
1 1 1 14 32 8  o 69.61098 0.8863714 48.54836       1.233403  47.00645       1.712088  50.21200       1.778391  -2.294876      1.772743  
1 1 1 14 32 9  o 115.1385 1.080401  133.1186       2.471208  131.5297       3.299755  135.1479       3.729136  -1.490425      2.160801  
1 1 1 14 32 10 o 17.45989 2.233954  3.026096       0.7181349 2.729988       0.8645594 3.685045       1.289720  -2.206314      4.467908  
1 1 1 14 32 11 o 44.75541 1.096840  20.46741       0.9241845 21.07515       1.139618  19.29993       1.579529  2.086246       2.193679  
1 1 1 14 32 12 o 12.64897 2.431453  1.795747       0.6243080 2.020701       0.7636830 1.342514       1.083993  2.201519       4.862907  
1 1 1 14 32 13 o 27.43850 1.934398  7.416706       1.035455  6.027472       1.304653  9.781150       1.702049  -6.587244      3.868796  
1 1 1 14 32 14 o 28.95750 1.366657  8.719247       0.7525144 9.113865       0.9427868 8.026484       1.249157  2.042652       2.733315  
1 1 1 14 32 15 o 12.43565 2.844519  1.803738       0.7608356 1.951941       0.8632707 1.288062       1.610297  1.397973       5.689039  
1 1 1 14 32 16 o 19.13806 2.174872  4.082096       0.7568128 4.105899       0.9266838 4.034423       1.311458  1.101753       4.349744  
1 1 1 14 32 17 o 9.936277 2.869466  0.7074388      0.8248653 0.3721556      0.9731303 1.563196       1.554678  -3.400261      5.738933  
1 1 1 14 32 18 o 18.75645 2.773017  4.419335       0.9752539 3.934138       1.213723  5.303392       1.638327  -2.050989      5.546034  
1 1 1 14 33 0  o 5.377114 2.654643  -1.153683      0.9863008 -0.5619114     1.258472  -2.095916      1.587983  0.000000       0.000000  
1 1 1 14 33 1  o 78.74652 1.130469  62.70081       1.714621  64.20757       2.166296  60.17372       2.805471  2.613777       2.260937  
1 1 1 14 33 2  o 11.64664 2.801883  1.239603       0.7654947 1.072393       0.9751325 1.508118       1.235714  -1.733177      5.603766  
1 1 1 14 33 3  o 25.17303 1.462585  6.492948       0.7200080 5.048787       1.035466  7.844875       1.001855  -5.558035      2.925169  
1 1 1 14 33 4  o 66.08386 1.025632  43.29296       1.320176  41.68037       1.671642  45.96578       2.152119  -3.194939      2.051263  
1 1 1 14 33 5  o 87.86042 1.167511  76.88612       1.943030  79.42075       3.359578  75.61218       2.381791  2.050064       2.335022  
1 1 1 14 33 6  o 53.68703 0.9629588 28.69544       1.025758  30.49553       1.570218  27.35541       1.354788  2.902233       1.925918  
1 1 1 14 33 7  o 32.75429 1.144043  10.82619       0.7458431 11.42749       1.025121  10.14989       1.087175  1.959360       2.288086  
1 1 1 14 33 8  o 76.51041 0.9763391 58.94492       1.485556  60.39433       2.011621  57.20627       2.203212  2.113136       1.952678  
1 1 1 14 33 9  o 89.01201 1.036661  79.81948       1.830198  80.76329       2.444467  78.61551       2.760908  1.268234       2.073323  
1 1 1 14 33 10 o 56.68261 1.200055  32.20322       1.280935  31.81194       1.562813  33.00415       2.235930  -0.8837967     2.400111  
1 1 1 14 33 11 o 11.85444 2.731176  1.429014       0.8501815 2.247407       1.034649  -0.2723329     1.491793  5.077549       5.462351  
1 1 1 14 33 12 o 37.52725 1.294488  14.37833       0.9252691 14.63411       1.151660  13.91260       1.554004  1.106590       2.588976  
1 1 1 14 33 13 o 31.79744 1.486160  10.16595       0.9308513 9.403900       1.199212  11.32110       1.476457  -2.865629      2.972321  
1 1 1 14 33 14 o 27.18402 1.761212  7.447725       0.8368568 7.224568       0.9659560 8.119216       1.675604  -1.131241      3.522425  
1 1 1 14 33 15 f 38.44721 1.270839  15.28231       0.9023777 15.35429       1.088194  15.12385       1.614597  0.7445946      2.541678  
1 1 1 14 33 16 o 33.85815 1.524392  11.40620       0.9344275 10.56630       1.092108  13.70123       1.805281  -3.759413      3.048784  
1 1 1 14 33 17 o 12.34347 2.709409  2.020478       0.8308145 2.678549       1.008283  0.6287506      1.466302  5.194169       5.418818  
1 1 1 14 34 0  o 38.63557 1.942707  14.48610       1.319228  13.68437       1.527050  16.84496       2.619322  0.000000       0.000000  
1 1 1 14 34 1  o 61.70666 1.045765  38.19460       1.290426  37.85986       1.835549  38.52171       1.814507  -0.5383949     2.091530  
1 1 1 14 34 2  o 18.92805 1.788865  3.523678       0.6672661 2.829373       0.8737116 4.495411       1.033633  -4.372936      3.577730  
1 1 1 14 34 3  f 45.44773 1.161112  20.72580       1.048986  20.64538       1.406813  20.82649       1.574248  -0.1793175     2.322224  
1 1 1 14 34 4  o 45.48384 1.023065  20.67794       0.9255410 21.43456       1.393889  20.08129       1.237795  1.470814       2.046130  
1 1 1 14 34 5  o 59.26253 0.9715914 35.27586       1.141362  34.82893       1.727484  35.62211       1.520512  -0.6914520     1.943183  
1 1 1 14 34 6  o 41.24152 0.9886289 17.01851       0.8139855 15.70444       1.119755  18.49102       1.185342  -3.369991      1.977258  
1 1 1 14 34 7  o 44.39458 1.032928  19.79389       0.9084511 19.85443       1.383954  19.74806       1.204206  0.9101486E-01  2.065857  
1 1 1 14 34 8  o 76.93443 1.001945  59.57008       1.525998  58.97800       2.323694  60.01906       2.023491  -0.7316360     2.003890  
1 1 1 14 34 9  o 37.62688 1.097207  14.11843       0.8122428 15.03128       1.285281  13.51147       1.048051  1.964001       2.194414  
1 1 1 14 34 10 o 12.24170 2.665116  1.482066       0.7570171 0.7526670      1.038648  2.308619       1.105659  -4.694007      5.330232  
1 1 1 14 34 11 o 9.695517 2.654810  0.6659364      0.6982026 0.5665848      0.8501039 0.8718663      1.223895  -1.781394      5.309620  
1 1 1 14 34 12 f 28.24365 1.746135  7.545720       0.8836166 6.791774       1.020483  9.804527       1.766345  -4.870491      3.492270  
1 1 1 14 34 13 o 11.85672 2.775443  1.380975       0.7302305 1.106678       0.8883342 1.952544       1.282331  -2.866535      5.550886  
1 1 1 14 34 14 o 22.92514 1.751076  5.491754       0.7721734 5.396301       0.9656934 5.660982       1.285828  -0.2454987     3.502153  
1 1 1 14 34 15 o 12.63498 2.421021  1.956503       0.7451188 3.011741       0.9521703 0.2893791      1.196804  7.559712       4.842042  
1 1 1 14 34 16 o 29.71974 1.902802  10.40163       1.001904  11.85009       1.233354  7.591195       1.717994  7.950584       3.805605  
1 1 1 14 34 17 o 11.45667 3.151268  1.644727       1.019907  1.400916       1.312529  2.016313       1.620359  -1.354950      6.302536  
1 1 1 14 35 0  o 35.11812 1.591386  12.43512       1.102771  11.63187       1.472435  13.46125       1.664226  0.000000       0.000000  
1 1 1 14 35 1  o 39.44713 1.121293  15.43200       0.8753969 14.41145       1.143698  16.87565       1.360276  -3.097820      2.242586  
1 1 1 14 35 2  o 40.79087 1.234563  16.71745       0.9885642 16.72892       1.281294  16.70056       1.553892  0.7016373E-01  2.469127  
1 1 1 14 35 3  o 107.4928 1.091072  115.9174       2.345082  113.4588       3.273280  118.5100       3.361367  -2.339081      2.182144  
1 1 1 14 35 4  o 10.16499 2.567852  0.9058737      0.6523265 0.9255749      1.029188  0.8926443      0.8433709 0.5558491      5.135705  
1 1 1 14 35 5  o 32.60643 1.116724  10.61805       0.7255984 9.973762       0.9765252 11.41226       1.084203  -2.190117      2.233448  
1 1 1 14 35 6  o 45.68960 0.9363129 20.95652       0.8555261 21.28933       1.218491  20.63294       1.201481  0.7157135      1.872626  
1 1 1 14 35 7  o 15.61830 2.150718  2.582594       0.6473702 2.757827       0.9126984 2.405178       0.9183673 1.144958       4.301436  
1 1 1 14 35 8  o 21.30120 1.559116  4.612852       0.6614175 4.104510       0.9301360 5.132833       0.9407252 -2.410223      3.118231  
1 1 1 14 35 9  o 22.37487 1.549234  5.033534       0.6895931 4.411097       0.9283574 5.799743       1.030008  -3.068184      3.098469  
1 1 1 14 35 10 o 21.39292 2.521165  5.136109       0.8247058 5.319955       0.9272720 4.440252       1.804013  2.977570       5.042330  
1 1 1 14 35 11 f 30.16644 1.802307  9.278854       1.034067  9.135681       1.274930  9.554132       1.767820  -0.4379215     3.604614  
1 1 1 14 35 12 o 8.626886 2.530230  0.2855234      0.6933320 0.1930003      0.8694674 0.4471016      1.148999  -1.488734      5.060460  
1 1 1 14 35 13 o 24.99423 1.715268  6.701944       0.8031814 7.225560       1.002813  5.765039       1.341408  3.174179       3.430536  
1 1 1 14 35 14 o 17.27514 2.280028  3.296302       0.7505755 3.191405       0.9552418 3.465569       1.213440  -0.7192230E-01 4.560056  
1 1 1 14 35 15 o 21.35698 2.281584  4.897198       0.8451366 4.614530       0.9848202 5.687047       1.646231  -1.029169      4.563168  
1 1 1 14 35 16 o 30.04291 1.771485  9.820492       1.001755  9.807703       1.230426  9.845634       1.725226  0.8033638      3.542969  
1 1 1 14 35 17 o 15.85566 3.059326  3.506775       0.9955266 3.509021       1.350154  3.504099       1.473721  0.3946486      6.118653  
1 1 1 14 36 0  o 30.84274 2.483605  9.745192       1.512637  9.745192       1.512637  9.745192       1.512637  0.000000       0.000000  
1 1 1 14 36 1  o 66.38797 0.9924194 44.35093       1.310506  45.58765       1.777914  42.87960       1.939250  2.059059       1.984839  
1 1 1 14 36 2  o 76.82650 1.014430  59.42542       1.552287  61.71251       2.127173  56.82011       2.270344  3.202484       2.028861  
1 1 1 14 36 3  o 42.25799 1.038251  18.00076       0.8734506 16.95592       1.274033  18.92738       1.199798  -2.342659      2.076502  
1 1 1 14 36 4  o 40.45370 1.144296  16.57621       0.9065579 17.11582       1.179689  15.79793       1.416755  1.666897       2.288593  
1 1 1 14 36 5  o 16.00842 2.028134  2.717073       0.6235031 2.156466       0.9099742 3.213183       0.8560293 -3.573472      4.056269  
1 1 1 14 36 6  o 33.48170 1.095816  11.18054       0.7301012 12.30972       1.102131  10.29752       0.9746242 2.978909       2.191632  
1 1 1 14 36 7  o 12.47867 2.355479  1.682393       0.6797654 2.671675       0.9083677 0.4232633      1.024795  6.829364       4.710958  
1 1 1 14 36 8  o 41.72795 1.080839  17.60748       0.8910751 18.01445       1.180103  17.06768       1.359114  1.176620       2.161678  
1 1 1 14 36 9  o 47.86513 0.9499515 23.07875       0.9071060 25.18952       1.292599  21.03054       1.273302  4.339691       1.899903  
1 1 1 14 36 10 o 23.74229 1.376698  5.705282       0.6498767 5.878245       0.9793944 5.569217       0.8686654 0.6076260      2.753397  
1 1 1 14 36 11 o 30.71875 1.504920  10.13090       0.8567765 11.16227       1.066834  8.257222       1.437928  4.929115       3.009840  
1 1 1 14 36 12 o 34.53480 1.292240  12.11958       0.8583618 12.05692       1.074998  12.22979       1.425791  -0.7754517E-01 2.584479  
1 1 1 14 36 13 o 35.28532 1.411963  12.97692       0.9539877 13.24743       1.197329  12.50665       1.578687  1.372040       2.823925  
1 1 1 14 36 14 o 22.98560 2.110717  5.829423       0.8643327 5.925474       1.024121  5.591624       1.611413  1.592239       4.221433  
1 1 1 14 36 15 o 15.84769 3.014037  2.904467       0.9122494 2.355206       1.083277  4.243782       1.691575  -4.035892      6.028073  
1 1 1 14 36 16 o 8.582897 2.711323  -0.3052050     1.034173  0.9596944      1.398018  -1.833929      1.536912  3.056544       5.422647  
1 1 1 14 37 0  o 16.76440 3.304448  3.439710       0.9670721 2.759773       1.326405  4.211315       1.412991  0.000000       0.000000  
1 1 1 14 37 1  o 66.21227 1.079079  44.08776       1.424796  43.48354       2.088513  44.61378       1.948679  -0.8750229     2.158158  
1 1 1 14 37 2  o 27.66101 1.683492  6.989892       0.8686731 9.976483       1.628911  5.802980       1.026878  7.384888       3.366983  
1 1 1 14 37 3  o 35.22729 1.086592  12.49533       0.7647961 12.98176       1.073826  11.99459       1.089515  1.404171       2.173184  
1 1 1 14 37 4  o 26.62466 1.556698  7.137136       0.7929432 7.039955       0.9841042 7.317008       1.338856  -0.4201698     3.113396  
1 1 1 14 37 5  o 39.34536 1.069768  15.57151       0.8402777 14.32011       1.172348  16.89356       1.204988  -3.263378      2.139536  
1 1 1 14 37 6  o 49.43684 0.9405268 24.57398       0.9297600 24.36417       1.324230  24.77797       1.305724  -0.4222260     1.881054  
1 1 1 14 37 7  o 35.77260 1.112764  12.91022       0.7951391 12.29675       1.132009  13.50767       1.117132  -1.696156      2.225527  
1 1 1 14 37 8  o 46.77035 1.131596  21.86116       1.008114  21.38343       1.242137  22.78311       1.725578  -1.357903      2.263191  
1 1 1 14 37 9  f 40.11558 1.038388  16.22689       0.8329521 16.58158       1.191764  15.88815       1.164649  0.8562317      2.076775  
1 1 1 14 37 10 o 6.947957 2.212703  -0.4400310     0.6629080 -0.9424930     0.9994382 -0.4533375E-01 0.8858014 -0.9665179     4.425406  
1 1 1 14 37 11 o 23.37315 1.806822  5.212483       0.8056362 4.224916       0.9761698 7.321959       1.426688  -6.297827      3.613643  
1 1 1 14 37 12 o 46.51233 1.156238  21.82408       1.015355  21.31283       1.239444  22.86722       1.770436  -1.338730      2.312476  
1 1 1 14 37 13 o 28.12720 1.677496  8.436001       0.9192619 8.875334       1.195511  7.800513       1.437839  2.179684       3.354993  
1 1 1 14 37 14 o 11.29213 2.853354  0.7655921      0.8423561 -0.1710901     1.004645  2.982904       1.545717  -7.794507      5.706707  
1 1 1 14 37 15 o 13.66118 3.457571  2.540322       1.136607  2.570107       2.216214  2.529692       1.323987  -0.4020357     6.915141  
1 1 1 14 37 16 o 30.16459 2.484019  10.88798       1.379906  11.86322       2.489919  10.45568       1.657773  -0.3013802     4.968038  
1 1 1 14 38 0  o 27.35986 2.181220  7.843318       1.142728  8.158479       1.452827  7.332008       1.850509  0.000000       0.000000  
1 1 1 14 38 1  o 87.60303 1.066035  77.26338       1.850476  77.71638       2.459772  76.67273       2.808752  0.6635056      2.132071  
1 1 1 14 38 2  o 46.25054 0.9818023 21.50175       0.9080543 21.76076       1.279138  21.23861       1.289288  0.5663185      1.963605  
1 1 1 14 38 3  o 38.53285 1.004610  14.78572       0.7703031 13.11272       1.034290  16.86952       1.154312  -4.850826      2.009219  
1 1 1 14 38 4  o 14.80151 2.549729  2.234188       0.7573899 3.350403       1.191274  1.476873       0.9812413 5.796398       5.099458  
1 1 1 14 38 5  o 8.015961 2.450192  -0.5207039     0.7418865 0.6551438      1.196015  -1.256090      0.9458424 4.202372       4.900384  
1 1 1 14 38 6  o 14.21056 2.220549  2.192607       0.6455819 1.168175       0.9277720 3.154257       0.8988939 -6.736442      4.441098  
1 1 1 14 38 7  o 42.63645 1.179821  18.24127       0.9602170 17.95818       1.187831  18.77512       1.631183  -0.8239288     2.359641  
1 1 1 14 38 8  o 17.48356 1.938818  3.249448       0.6472864 2.620208       0.9392675 3.818563       0.8932664 -3.698578      3.877637  
1 1 1 14 38 9  f 46.88223 1.049972  22.16210       0.9748596 22.55196       1.491940  21.87163       1.287797  0.6534958      2.099943  
1 1 1 14 38 10 f 36.22128 1.074735  13.27809       0.7783749 13.68522       1.106697  12.87955       1.094973  1.107456       2.149469  
1 1 1 14 38 11 o 44.55592 1.174415  19.54033       0.9973832 18.18798       1.218593  22.28468       1.735944  -4.340309      2.348830  
1 1 1 14 38 12 o 30.02983 1.641494  9.499053       0.9520130 9.592937       1.205648  9.343569       1.551554  0.7843857      3.282989  
1 1 1 14 38 13 o 13.23898 3.238458  2.157443       1.023764  2.192303       1.275174  2.094228       1.717172  0.2450781      6.476916  
1 1 1 14 38 14 o 10.64915 3.022273  0.8824706      1.039070  -0.1168579     1.412911  2.059519       1.533408  -4.110526      6.044547  
1 1 1 14 38 15 o 24.20824 3.068942  0.000000       0.000000  ?              ?         6.705972       1.485874  ?              ?         
1 1 1 14 39 0  o 24.37842 3.645247  7.684577       1.240627  8.427151       1.436246  5.501933       2.462354  0.000000       0.000000  
1 1 1 14 39 1  o 46.44199 1.125434  21.58823       1.021348  21.06514       1.304406  22.41710       1.641975  -1.373806      2.250869  
1 1 1 14 39 2  o 69.00789 1.004756  47.75568       1.370519  46.91958       1.798401  48.91391       2.116672  -1.376862      2.009511  
1 1 1 14 39 3  o 23.30061 1.554443  5.545945       0.7186590 6.202806       1.002583  4.851758       1.030674  2.908293       3.108886  
1 1 1 14 39 4  o 51.02895 0.9617417 26.19817       0.9800206 26.37557       1.351580  26.00150       1.423101  0.3815308      1.923483  
1 1 1 14 39 5  o 21.80875 1.688388  4.849924       0.7288274 4.874438       0.9657776 4.817494       1.110808  0.1877041      3.376777  
1 1 1 14 39 6  o 61.90670 1.081035  38.67118       1.291389  38.67735       1.625913  38.66062       2.125446  0.1591415      2.162070  
1 1 1 14 39 7  o 21.40238 1.638808  4.717929       0.6950544 4.095739       0.9992458 5.301136       0.9674363 -2.830812      3.277615  
1 1 1 14 39 8  o 13.94780 2.504976  2.130742       0.7002382 2.268405       1.016355  2.006350       0.9661261 0.8439941      5.009951  
1 1 1 14 39 9  o 37.30613 1.256224  14.06918       0.9052695 14.42250       1.494617  13.86446       1.137697  0.5872154      2.512447  
1 1 1 14 39 10 o 46.15191 0.9948483 21.52681       0.9182014 21.45072       1.289016  21.60519       1.308264  -0.1600266     1.989697  
1 1 1 14 39 11 f 25.31387 1.705864  6.442501       0.8369437 5.644183       1.039532  7.913491       1.411092  -4.097145      3.411728  
1 1 1 14 39 12 o 19.43769 2.450011  4.669042       0.8479999 5.590712       1.062925  3.055293       1.406478  7.251082       4.900021  
1 1 1 14 39 13 o 8.707544 2.772438  -0.1010144     0.9923760 -0.1223150     1.266256  -0.6710355E-01 1.597698  -0.9204626     5.544877  
1 1 1 14 39 14 o 26.78485 1.981532  7.821731       1.050037  9.578065       1.603981  6.504546       1.389054  5.312551       3.963063  
1 1 1 14 39 15 o 6.977067 3.369283  -1.343307      1.416948  -1.343307      1.416948  ?              ?         ?              ?         
1 1 1 14 40 0  f 10.67011 4.151401  1.476529       1.086168  1.223395       1.232780  2.354912       2.296427  0.000000       0.000000  
1 1 1 14 40 1  o 37.03691 1.209150  14.04715       0.8809612 15.40102       1.183481  12.36474       1.319288  4.134872       2.418299  
1 1 1 14 40 2  o 16.24192 2.311364  2.791973       0.7229663 2.497250       0.9719334 3.157032       1.081712  -1.954878      4.622727  
1 1 1 14 40 3  o 58.25618 1.037276  34.30476       1.197923  35.19702       1.603961  33.17930       1.801416  1.779858       2.074552  
1 1 1 14 40 4  o 47.07048 1.122496  22.34019       1.025797  22.27527       1.302265  22.44632       1.665101  -0.7702637E-01 2.244993  
1 1 1 14 40 5  o 12.80069 2.716621  1.892704       0.8022245 2.453835       0.9489088 0.4868070      1.501997  4.551568       5.433241  
1 1 1 14 40 6  o 20.32162 1.788980  4.054742       0.7060531 5.754307       1.123493  2.945376       0.9076932 6.803194       3.577960  
1 1 1 14 40 7  o 35.32788 1.229269  12.46483       0.8537292 13.72968       1.361853  11.64594       1.095776  2.835789       2.458538  
1 1 1 14 40 8  o 41.19494 1.098960  17.07525       0.8978826 16.41775       1.185842  17.95866       1.374550  -1.795563      2.197921  
1 1 1 14 40 9  o 55.37329 0.9686392 30.97218       1.072696  30.98760       1.523634  30.95702       1.510495  0.2275085E-01  1.937278  
1 1 1 14 40 10 o 18.60694 2.023278  3.676541       0.7480829 3.889244       1.135027  3.513179       0.9947039 0.8432522      4.046556  
1 1 1 14 40 11 o 17.63311 2.774684  3.761292       0.9596863 4.300196       1.237748  2.948998       1.519613  4.424314       5.549369  
1 1 1 14 40 12 o 10.63368 3.223205  0.6981447      0.9634418 0.5983364      1.053993  1.205282       2.375840  -3.162951      6.446410  
1 1 1 14 40 13 o 10.95342 2.927614  1.146973       0.9716811 2.301917       1.362710  -0.4763535E-01 1.385913  4.713057       5.855228  
1 1 1 14 40 14 o 10.58529 3.164316  1.149147       1.206702  1.743769       1.418734  -0.4062413     2.294563  1.873888       6.328632  
1 1 1 14 41 0  o 51.02161 1.806232  25.68105       1.624607  24.73232       1.885606  28.41421       3.200466  0.000000       0.000000  
1 1 1 14 41 1  o 47.97957 1.175345  23.53125       1.083530  24.29713       1.368471  22.24429       1.773942  2.264935       2.350691  
1 1 1 14 41 2  o 35.96243 1.135476  13.05079       0.8159646 13.84913       1.173043  12.30239       1.135756  2.138714       2.270952  
1 1 1 14 41 3  o 47.63484 1.006650  22.84933       0.9570177 23.30407       1.405338  22.45608       1.306875  0.8615532      2.013299  
1 1 1 14 41 4  o 35.73093 1.335560  12.85271       0.9209399 12.58417       1.154067  13.32353       1.528115  -0.8930817     2.671120  
1 1 1 14 41 5  o 19.70866 1.825449  3.971694       0.7155142 4.173945       1.080218  3.813588       0.9550776 0.8472919      3.650897  
1 1 1 14 41 6  o 42.51752 1.118234  18.31127       0.9359773 18.35481       1.458435  18.28077       1.220471  -0.1258850E-01 2.236467  
1 1 1 14 41 7  o 37.17127 1.107908  14.00425       0.8229877 13.57853       1.174785  14.41453       1.153274  -1.133282      2.215816  
1 1 1 14 41 8  o 27.85204 1.487383  7.966628       0.8167245 7.789148       1.257244  8.096207       1.074266  -0.6544285     2.974766  
1 1 1 14 41 9  o 11.07080 2.817929  1.279557       0.7906896 1.183100       1.244235  1.344897       1.024057  -0.1446247     5.635857  
1 1 1 14 41 10 o 10.22084 2.705039  1.033489       0.7520128 0.8066285      1.102728  1.230718       1.028193  -0.9734364     5.410077  
1 1 1 14 41 11 o 15.74613 3.041055  2.960215       0.8874279 2.842256       1.016133  3.339385       1.821806  -0.1112309     6.082111  
1 1 1 14 41 12 o 12.66614 3.483362  1.985318       1.164503  2.085235       1.300800  1.582080       2.613202  0.2953405      6.966724  
1 1 1 14 41 13 o 27.58817 2.060103  8.586720       1.120313  9.761527       1.552818  7.311359       1.617909  4.570501       4.120206  
1 1 1 14 42 0  o 65.00203 1.784397  44.18481       2.083614  45.94476       2.492351  40.09968       3.797199  0.000000       0.000000  
1 1 1 14 42 1  o 39.36868 1.196867  15.67202       0.9370601 15.63121       1.259552  15.72260       1.402321  -0.6772232E-01 2.393733  
1 1 1 14 42 2  o 41.89825 1.183019  17.72703       0.9892877 18.12682       1.452834  17.38139       1.350854  0.8553047      2.366037  
1 1 1 14 42 3  o 42.66684 1.421480  18.51962       1.212135  17.62702       1.705539  19.43062       1.723031  -2.106094      2.842960  
1 1 1 14 42 4  o 22.67704 1.848773  5.534486       0.7996128 4.383847       1.247311  6.337294       1.041864  -4.439659      3.697545  
1 1 1 14 42 5  o 26.43505 1.977054  7.288123       1.042322  7.707513       1.453091  6.843611       1.495977  1.664865       3.954109  
1 1 1 14 42 6  o 14.25542 2.344647  1.952438       0.7338517 3.884584       1.162196  0.6712444      0.9463826 9.942004       4.689294  
1 1 1 14 42 7  o 18.19098 2.065261  3.443799       0.7122040 4.820209       1.083638  2.397137       0.9449607 6.796428       4.130523  
1 1 1 14 42 8  o 21.05877 1.851450  4.688393       0.7768457 4.203059       1.089365  5.190587       1.108127  -2.324541      3.702900  
1 1 1 14 42 9  o 11.64664 2.613201  1.560836       0.7072744 1.050157       1.059964  1.970698       0.9495879 -2.772202      5.226401  
1 1 1 14 42 10 o 32.82786 3.055655  14.30605       1.164984  14.89088       1.253623  10.60366       3.154219  10.41775       6.111310  
1 1 1 14 42 11 o 18.06768 3.050609  3.908304       1.007926  3.533643       1.191584  4.850546       1.889672  -1.684526      6.101217  
1 1 1 14 42 12 o 8.498842 2.688355  -0.1593642     0.9726518 -0.9561207     1.378999  0.6294421      1.372102  -2.128578      5.376709  
1 1 1 14 42 13 o 16.99405 3.645718  4.110686       1.219912  3.493932       1.412785  5.918262       2.418622  -2.403731      7.291437  
1 1 1 14 43 0  o 44.09442 2.099899  19.20757       1.645537  18.09518       1.916812  22.32451       3.208589  0.000000       0.000000  
1 1 1 14 43 1  o 26.56735 2.017612  7.522724       0.9885767 7.813432       1.203284  6.919027       1.733999  2.074781       4.035224  
1 1 1 14 43 2  o 8.231536 2.436129  0.1964894      0.6771249 -0.3685716E-03 0.9439837 0.4051290      0.9718214 -0.9731903     4.872257  
1 1 1 14 43 3  o 52.75266 1.021311  28.11880       1.076445  28.01377       1.487990  28.23413       1.559148  -0.1827278     2.042622  
1 1 1 14 43 4  o 63.93010 1.042567  41.28290       1.323958  41.92713       1.998594  40.77911       1.767372  0.8058395      2.085133  
1 1 1 14 43 5  o 40.39743 1.377116  16.92124       1.041404  17.44386       1.278829  15.89235       1.794332  2.192162       2.754231  
1 1 1 14 43 6  o 25.14866 1.501291  6.442127       0.7512906 7.086899       1.134356  5.938291       1.002746  2.197781       3.002582  
1 1 1 14 43 7  o 33.39561 1.311980  11.44193       0.8741820 11.00791       1.187865  11.95470       1.291142  -1.336796      2.623959  
1 1 1 14 43 8  o 29.38215 1.659589  9.146429       0.9627322 8.675589       1.458057  9.510376       1.281907  -1.618132      3.319179  
1 1 1 14 43 9  o 9.244184 2.812069  0.4006538      0.8846988 0.6481714      1.022028  -0.3391980     1.766983  -0.2494850     5.624138  
1 1 1 14 43 10 f 7.334217 2.443733  -0.7639951     0.8452200 -0.7119435     1.005954  -0.8889690     1.558728  -1.552811      4.887466  
1 1 1 14 43 11 o 11.45499 3.102116  1.477987       1.057854  2.301896       1.437838  0.5057456      1.561915  3.446449       6.204233  
1 1 1 14 43 12 o 17.46804 3.429055  4.276644       1.188955  5.207313       2.061023  3.812455       1.455570  1.508442       6.858109  
1 1 1 14 44 0  o 24.97658 3.802386  7.499833       1.309413  7.572691       1.473910  7.226993       2.852240  0.000000       0.000000  
1 1 1 14 44 1  o 51.86503 1.188295  27.15384       1.222272  28.64470       1.872445  26.04692       1.613436  2.381321       2.376590  
1 1 1 14 44 2  o 23.04816 1.783192  5.442086       0.8163524 6.409752       1.223462  4.665517       1.096017  3.692928       3.566385  
1 1 1 14 44 3  o 30.09812 1.340261  9.237782       0.8037819 8.231603       1.122903  10.29505       1.151059  -3.413460      2.680521  
1 1 1 14 44 4  o 17.61059 2.212474  3.346055       0.7567238 3.764068       1.060066  2.911718       1.080567  2.728159       4.424949  
1 1 1 14 44 5  o 7.902508 2.445549  -0.1166959     0.7499169 0.2872516      1.067601  -0.5101342     1.053622  1.432457       4.891098  
1 1 1 14 44 6  f 13.25362 2.681026  2.039600       0.7463710 2.153102       1.075995  1.934340       1.036186  0.6688328      5.362051  
1 1 1 14 44 7  o 22.11565 1.767357  5.192998       0.7780620 5.745668       1.101085  4.641809       1.099608  2.493910       3.534714  
1 1 1 14 44 8  o 11.45521 3.065793  1.198088       0.8568407 0.8733200      0.9875211 2.187363       1.723528  -3.737271      6.131587  
1 1 1 14 44 9  o 22.13756 2.736090  7.114097       1.009129  8.940603       1.218973  3.135946       1.798972  13.99529       5.472180  
1 1 1 14 44 10 o 39.32005 1.701930  16.61048       1.301077  16.36284       1.655324  17.01074       2.104511  -0.8928680E-01 3.403861  
1 1 1 14 44 11 o 29.53278 1.951499  9.666681       1.139644  11.73548       1.681637  7.909499       1.549820  6.200483       3.902998  
1 1 1 14 45 0  o 66.85838 1.977036  45.37750       2.638531  45.37750       2.638531  45.37750       2.638531  0.000000       0.000000  
1 1 1 14 45 1  o 32.72056 1.424195  11.01389       0.9304474 10.48855       1.330788  11.51630       1.301407  -1.590254      2.848389  
1 1 1 14 45 2  o 27.00074 1.534467  7.535219       0.8279813 7.208230       1.144864  7.893796       1.198887  -1.225700      3.068934  
1 1 1 14 45 3  o 13.18965 2.891033  1.861971       0.8367858 2.804450       1.371559  1.303161       1.056113  4.288852       5.782067  
1 1 1 14 45 4  o 24.80102 1.941085  6.764619       0.8977261 5.865938       1.509506  7.256409       1.116663  -3.256054      3.882169  
1 1 1 14 45 5  o 12.10734 2.560756  1.523314       0.7149099 0.6981946      0.9373265 2.670886       1.105407  -6.015654      5.121511  
1 1 1 14 45 6  o 29.91165 1.585200  9.458260       0.9379032 10.23473       1.275022  8.542684       1.384525  2.943838       3.170399  
1 1 1 14 45 7  o 18.68828 2.763935  4.652708       0.9515060 5.484102       1.149424  2.842485       1.696067  7.877343       5.527871  
1 1 1 14 45 8  o 13.76251 3.171601  2.457591       0.9691863 2.548809       1.137561  2.216039       1.851133  1.270774       6.343203  
1 1 1 14 45 9  o 12.04442 3.218479  1.740694       1.041597  1.453618       1.334730  2.187814       1.665740  -1.699250      6.436958  
1 1 1 14 45 10 o 9.207433 2.901390  0.1589510      1.088800  -0.2557625     1.497194  0.6244696      1.586253  -1.375076      5.802780  
1 1 1 14 45 11 o 9.265587 3.037402  -0.4218742     1.160302  1.751954       2.241097  -1.217971      1.356223  4.674551       6.074804  
1 1 1 14 46 0  o 23.18729 3.842822  5.610547       1.331167  4.696768       1.494250  9.124649       2.930285  0.000000       0.000000  
1 1 1 14 46 1  o 9.297048 2.687219  0.3237322E-01  0.8582165 -0.9986511     1.113703  1.539693       1.346597  -5.156941      5.374439  
1 1 1 14 46 2  o 29.21813 1.543744  8.747249       0.8930148 7.448701       1.173715  10.53230       1.376127  -5.066622      3.087488  
1 1 1 14 46 3  o 23.03584 1.752460  5.630003       0.8047652 6.095528       1.134477  5.158467       1.141778  2.042553       3.504921  
1 1 1 14 46 4  o 28.31898 1.636607  8.470743       0.9196820 8.913585       1.248934  7.946160       1.359320  1.827986       3.273214  
1 1 1 14 46 5  o 30.19400 1.498972  9.521316       0.8956331 9.324817       1.179442  9.788960       1.376502  -0.5455456     2.997944  
1 1 1 14 46 6  o 7.869869 2.490680  -0.2799250     0.8445931 0.4097269      1.016316  -1.819399      1.518448  1.348226       4.981360  
1 1 1 14 46 7  o 10.69723 3.039326  0.9426009      0.9509360 0.4451348      1.158778  1.968511       1.664076  -3.664362      6.078652  
1 1 1 14 46 8  o 12.82101 3.224380  2.193744       1.062071  2.525505       1.326228  1.600569       1.773360  2.115922       6.448761  
1 1 1 14 46 9  f 12.19926 3.201931  1.876399       1.040499  1.478746       1.382552  2.395833       1.580138  -2.048759      6.403862  
1 1 1 14 46 10 o 31.73123 2.269145  11.37615       1.399205  14.76213       2.343425  9.500311       1.744245  6.521936       4.538291  
1 1 1 14 47 0  o 6.228503 3.141918  -1.160792      1.232435  -0.8939933     1.366956  -2.319699      2.848966  0.000000       0.000000  
1 1 1 14 47 1  o 15.06763 2.832709  2.862410       0.8853453 3.335289       1.109067  2.031694       1.469972  4.079198       5.665418  
1 1 1 14 47 2  o 13.11124 2.774404  2.098625       0.8178352 2.619558       1.079827  1.397805       1.252468  3.602268       5.548808  
1 1 1 14 47 3  o 18.47238 2.318965  3.922921       0.8174118 4.275556       1.082607  3.455312       1.246666  2.819817       4.637930  
1 1 1 14 47 4  o 11.76503 3.025861  1.613832       0.9121642 1.840972       1.087262  1.074006       1.676156  1.272492       6.051722  
1 1 1 14 47 5  o 19.00558 3.503406  4.103146       1.080805  3.645859       1.182357  6.427384       2.665597  -2.795614      7.006813  
1 1 1 14 47 6  o 13.86268 2.981318  2.838978       1.021966  3.456569       1.119972  -0.2337029     2.498131  6.590303       5.962636  
1 1 1 14 47 7  o 14.88186 3.882159  3.357816       1.556759  4.122537       2.188178  2.574055       2.215251  2.830764       7.764317  
1 1 1 14 47 8  o 10.38682 3.194185  0.2945261      1.379957  2.213289       1.893247  -1.880259      2.015602  4.476196       6.388370  
1 1 1 14 47 9  o 9.013639 3.016062  -0.6447615     1.430272  -1.360962      1.914520  0.2597919      2.151591  -1.773332      6.032124  
1 1 1 14 48 0  o 39.96264 2.484843  17.93837       1.693327  18.57779       1.991690  16.27081       3.216404  0.000000       0.000000  
1 1 1 14 48 1  o 26.21185 2.119583  7.347301       1.088577  6.398925       1.380279  8.907798       1.770549  -4.096216      4.239167  
1 1 1 14 48 2  o 24.03061 2.084779  6.457060       0.9811626 7.769663       1.381410  5.120768       1.393820  5.533607       4.169557  
1 1 1 14 48 3  o 11.55414 3.292755  1.463765       1.162453  1.535719       1.511192  1.359485       1.819253  0.3447056E-01  6.585510  
1 1 1 14 48 4  o 8.413944 2.773923  -0.6873609     1.138762  -0.5947372     1.523943  -0.8044727     1.713594  -0.2458687     5.547847  
1 1 1 14 48 5  o 27.20916 2.717959  7.969028       1.365949  12.78708       2.467768  5.840836       1.640112  10.83933       5.435919  
1 1 1 14 48 6  f 35.91751 2.608896  15.52727       1.829805  17.48293       2.482350  13.20026       2.707792  6.525391       5.217793  
1 1 1 14 48 7  o 28.49962 2.551001  9.701414       1.431936  12.26964       2.241171  7.929788       1.861420  6.406374       5.102001  
1 1 1 14 49 0  o 12.92797 4.562879  3.351113       1.664454  4.219249       2.004746  1.424878       2.986208  0.000000       0.000000  
1 1 1 14 49 1  o 26.76406 3.535603  9.265456       1.519836  9.010690       1.723160  10.15794       3.225187  3.044827       7.071206  
1 1 1 14 49 2  f 10.13358 3.204163  0.4523089      1.275756  0.7027377      1.515908  -0.1556436     2.361922  -0.3570271     6.408326  
1 1 1 14 49 3  o 14.81749 3.208030  3.222265       1.258352  4.535720       1.544554  0.6296516      2.170024  8.028318       6.416060  
1 1 1 14 49 4  o 17.43655 3.842047  4.514353       1.581531  6.342775       2.286962  2.838501       2.189467  6.921261       7.684094  
1 1 1 14 49 5  o 26.65118 3.318860  9.879164       1.658322  14.71329       2.392206  5.407006       2.300902  17.05015       6.637721  
1 1 1 14 49 6  o 10.61281 3.366205  0.9079415      1.539386  1.832607       2.000036  -0.4359863     2.411203  1.981625       6.732409  
1 1 1 14 50 0  o 11.59988 6.689587  2.834218       2.452802  2.834218       2.452802  2.834218       2.452802  0.000000       0.000000  
1 1 1 14 50 1  o 30.22840 3.284155  12.12358       1.982605  12.46876       2.775163  11.76377       2.833398  1.370401       6.568310  
1 1 1 14 50 2  o 33.33059 3.128551  14.77082       1.872105  19.62337       2.625218  9.749522       2.670474  15.33725       6.257102  
1 1 1 14 50 3  o 18.25487 3.220417  5.299313       1.484270  7.911330       1.952485  1.723235       2.284564  13.25560       6.440835  
1 1 1 14 50 4  o 14.03495 3.816464  3.337628       1.600863  4.658086       2.231375  1.937117       2.298020  4.421947       7.632929  
1 1 1 14 51 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15 0  1  o 189.6911 2.808199  362.6710       10.12839  353.1094       17.08498  367.8522       12.57667  0.000000       0.000000  
1 1 1 15 0  2  o 420.3256 6.191307  1773.904       49.07233  1768.868       84.71500  1776.447       60.20109  0.000000       0.000000  
1 1 1 15 0  3  o 292.9857 3.533641  858.5969       20.67076  835.3964       28.45277  884.5285       30.08087  0.000000       0.000000  
1 1 1 15 0  4  o 426.7675 6.314808  1813.506       50.19877  1787.876       60.64428  1869.289       89.46719  0.000000       0.000000  
1 1 1 15 0  5  o 118.8456 1.853862  138.8897       4.023886  147.8684       7.487754  135.2438       4.771424  0.000000       0.000000  
1 1 1 15 0  6  o 22.05666 2.593142  5.122788       1.046420  6.143248       1.551937  4.272094       1.416977  0.000000       0.000000  
1 1 1 15 0  7  o 144.6090 2.566766  209.2975       7.399962  216.0930       10.85649  203.4006       10.11325  0.000000       0.000000  
1 1 1 15 0  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15 0  9  o 68.35159 1.604126  46.87454       2.185533  44.13925       3.054574  49.74358       3.128367  0.000000       0.000000  
1 1 1 15 0  10 o 202.8739 4.998965  413.7382       20.25587  413.7382       20.25587  413.7382       20.25587  0.000000       0.000000  
1 1 1 15 0  11 o 34.39174 2.781964  12.07454       1.889127  12.07454       1.889127  12.07454       1.889127  0.000000       0.000000  
1 1 1 15 0  12 o 9.170588 3.935027  0.4814483      1.310347  1.775156       2.128964  -0.3075140     1.662564  0.000000       0.000000  
1 1 1 15 0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15 0  14 o 152.2187 2.284922  226.6307       5.693123  243.9490       12.53231  222.1275       6.390584  0.000000       0.000000  
1 1 1 15 0  15 o 57.61523 1.619644  31.80725       1.386205  35.96399       3.486845  31.02696       1.510719  0.000000       0.000000  
1 1 1 15 0  16 o 30.04162 1.446617  9.101753       0.8648728 9.101753       0.8648728 9.101753       0.8648728 0.000000       0.000000  
1 1 1 15 0  17 o 25.26573 3.119365  6.882811       1.048532  7.291549       2.505182  6.796001       1.154522  0.000000       0.000000  
1 1 1 15 0  18 o 24.99920 4.043447  10.16704       0.9670734 4.695962       2.978623  10.81171       1.022463  0.000000       0.000000  
1 1 1 15 0  19 o 11.03052 4.446912  0.9551865      0.8460536 3.695652       3.153732  0.7426625      0.8782470 0.000000       0.000000  
1 1 1 15 0  20 o 9.554318 4.251225  1.369510       0.8541000 1.369510       0.8541000 1.369510       0.8541000 0.000000       0.000000  
1 1 1 15 0  21 o 7.816493 3.392033  0.8161340      0.8292377 -2.278638      3.108071  1.053312       0.8604270 0.000000       0.000000  
1 1 1 15 0  22 o 9.884884 4.068603  1.409729       0.9484383 2.300931       2.821048  1.296158       1.007059  0.000000       0.000000  
1 1 1 15 0  23 o 6.560677 4.742924  -2.568056      2.858695  -2.568056      2.858695  -2.568056      2.858695  0.000000       0.000000  
1 1 1 15 1  0  o 406.7214 4.882906  1656.450       39.67302  1691.001       57.24321  1624.514       55.03420  0.000000       0.000000  
1 1 1 15 1  1  o 292.0267 3.514271  849.6157       20.44578  808.6385       27.49451  900.3076       30.58045  -15.65671      7.028543  
1 1 1 15 1  2  f 526.5099 4.831505  2766.004       50.03335  2709.177       64.79489  2849.932       78.74269  -13.11090      9.663011  
1 1 1 15 1  3  o 190.7045 1.634362  363.6457       6.231673  358.0376       8.682976  369.6024       8.948871  -3.030319      3.268725  
1 1 1 15 1  4  o 401.5182 3.936326  1615.111       31.60643  1598.360       44.28778  1632.497       45.12034  -4.236023      7.872653  
1 1 1 15 1  5  o 77.10619 0.9470251 60.69708       1.383019  55.47070       2.316459  63.59196       1.724009  -5.269356      1.894050  
1 1 1 15 1  6  f 109.2812 1.418262  119.4391       3.098737  118.1063       4.317043  120.8556       4.450557  -1.256439      2.836523  
1 1 1 15 1  7  o 95.39590 1.302501  91.00255       2.484475  93.33237       3.558796  88.78749       3.470041  2.381004       2.605001  
1 1 1 15 1  8  o 154.1807 1.916840  237.8597       5.907397  233.3410       8.189086  242.7625       8.529980  -3.047073      3.833679  
1 1 1 15 1  9  o 93.37413 1.286640  87.24853       2.402743  87.91304       3.403345  86.58819       3.392663  0.7092133      2.573280  
1 1 1 15 1  10 o 61.82203 1.699540  37.90248       2.089760  43.82059       3.124884  33.11443       2.810748  8.648457       3.399080  
1 1 1 15 1  11 o 151.3216 2.685062  229.9432       8.120164  224.8597       11.22676  235.5201       11.75902  -3.486450      5.370124  
1 1 1 15 1  12 o 45.55136 1.225975  20.67140       1.113219  19.56910       1.501805  22.01571       1.658489  -2.680092      2.451951  
1 1 1 15 1  13 o 213.3624 2.402606  456.3311       9.992668  464.2780       16.10109  451.3527       12.74395  2.753265       4.805212  
1 1 1 15 1  14 o 22.04425 1.282243  4.885292       0.5612178 5.629161       0.8009867 4.167953       0.7865734 3.313305       2.564486  
1 1 1 15 1  15 o 24.87281 1.361558  5.871312       0.6556242 4.915644       0.8118767 7.662791       1.111584  -5.488962      2.723116  
1 1 1 15 1  16 o 50.08585 1.075474  25.12471       1.074329  24.55225       1.458827  25.80306       1.588045  -1.233803      2.150948  
1 1 1 15 1  17 o 53.17362 0.8623581 28.36911       0.9157717 28.16423       1.259607  28.59884       1.333766  -0.3971939     1.724716  
1 1 1 15 1  18 o 18.20994 1.537405  3.364851       0.5596421 3.278025       0.7964978 3.449512       0.7865036 -0.4741325     3.074809  
1 1 1 15 1  19 o 53.16768 0.9235008 28.45417       0.9818539 28.97569       1.403607  27.95445       1.373969  0.9525795      1.847002  
1 1 1 15 1  20 o 11.10763 2.288221  1.253520       0.5868350 0.5196759      0.8096406 2.065745       0.8517821 -5.263619      4.576442  
1 1 1 15 1  21 o 17.66243 1.768462  3.305475       0.6236584 3.076110       0.8769432 3.540191       0.8871173 -1.301716      3.536923  
1 1 1 15 1  22 o 14.32921 2.267694  2.406027       0.6216639 2.466660       0.7943555 2.310203       0.9986200 0.9562778      4.535387  
1 1 1 15 1  23 o 10.82600 3.581432  0.4223060      1.953915  1.972827       2.812744  -1.023694      2.716285  2.391249       7.162865  
1 1 1 15 2  0  o 92.00745 1.212119  84.45109       2.222456  88.53498       3.295359  81.04377       3.010038  0.000000       0.000000  
1 1 1 15 2  1  o 109.6921 1.264166  120.7008       2.727185  122.3673       3.560676  118.3359       4.241751  1.840683       2.528331  
1 1 1 15 2  2  o 413.2753 4.051208  1708.463       33.44576  1761.392       48.74788  1661.389       45.97289  12.05539       8.102417  
1 1 1 15 2  3  o 136.0778 1.191422  185.1301       3.241584  182.3289       4.518910  188.0996       4.652597  -2.119690      2.382844  
1 1 1 15 2  4  o 226.1871 2.228640  511.6435       10.07697  520.9061       14.52278  503.0432       13.99390  3.943314       4.457281  
1 1 1 15 2  5  o 80.84377 0.9144747 65.34799       1.478377  64.26962       2.069551  66.47168       2.112596  -1.361687      1.828949  
1 1 1 15 2  6  o 56.48008 0.9344075 31.49061       0.9808920 30.80701       1.179343  33.02481       1.766786  -1.959042      1.868815  
1 1 1 15 2  7  o 331.6975 4.005610  1104.476       26.56166  1124.896       38.24437  1085.447       36.91843  5.894958       8.011219  
1 1 1 15 2  8  o 102.3503 1.381700  104.8321       2.828226  105.8321       3.996332  103.8286       4.003108  0.9788818      2.763401  
1 1 1 15 2  9  o 150.6471 1.885106  227.2475       5.678448  225.1899       7.933082  229.4095       8.131677  -1.394775      3.770213  
1 1 1 15 2  10 o 68.17082 1.682908  46.40128       2.277724  45.40016       3.028106  47.70580       3.456640  -1.676926      3.365815  
1 1 1 15 2  11 o 59.81036 1.544037  35.83768       1.846486  36.02782       2.585246  35.63968       2.638210  0.3265305      3.088074  
1 1 1 15 2  12 o 42.49085 1.329407  18.12210       1.125827  18.66012       1.543301  17.51010       1.645973  1.357155       2.658815  
1 1 1 15 2  13 o 38.08392 1.142074  15.43744       0.7509280 12.67896       1.429240  16.48927       0.8825591 -5.022755      2.284148  
1 1 1 15 2  14 o 100.6651 1.218031  102.5495       2.314770  98.51714       3.957213  104.6470       2.853973  -3.114616      2.436061  
1 1 1 15 2  15 o 25.33952 1.438441  6.647873       0.6625159 6.951060       0.7971345 5.970624       1.191382  1.979963       2.876881  
1 1 1 15 2  16 o 19.71060 1.486654  3.858301       0.5740641 4.167004       0.9232333 3.663712       0.7329932 1.246336       2.973308  
1 1 1 15 2  17 o 51.70635 0.8256117 26.81391       0.8532325 26.44122       1.182217  27.21910       1.232670  -0.7446671     1.651223  
1 1 1 15 2  18 o 17.86401 1.722247  3.150018       0.5746619 4.748090       0.9105579 2.092164       0.7408362 7.563617       3.444494  
1 1 1 15 2  19 o 14.30799 2.077280  2.168793       0.5848658 1.747239       0.8229205 2.599075       0.8313950 -3.192298      4.154560  
1 1 1 15 2  20 o 47.02827 0.9136165 22.28830       0.8579606 21.69919       1.174911  22.96132       1.255803  -1.312283      1.827233  
1 1 1 15 2  21 o 10.23350 2.321316  1.096796       0.5864559 1.734323       0.8172266 0.4199033      0.8420794 4.195787       4.642632  
1 1 1 15 2  22 o 24.46507 1.310176  6.244302       0.6403033 6.675685       0.9188900 5.837133       0.8927279 1.682623       2.620353  
1 1 1 15 2  23 o 17.77765 4.159214  5.849554       1.882858  3.632094       2.654663  8.094283       2.670937  -7.719148      8.318428  
1 1 1 15 3  0  o 410.5573 4.935739  1681.993       40.36917  1774.006       60.09817  1606.340       54.49368  0.000000       0.000000  
1 1 1 15 3  1  o 69.41163 0.7936913 48.29969       1.091825  49.09049       1.456035  47.28380       1.650292  1.302002       1.587383  
1 1 1 15 3  2  o 186.5681 1.731298  348.5684       6.405859  351.1524       8.541206  345.2461       9.684658  1.590683       3.462596  
1 1 1 15 3  3  o 188.2870 1.745666  355.0918       6.517803  351.2017       9.854865  358.1165       8.689805  -1.844925      3.491331  
1 1 1 15 3  4  o 351.8368 3.864526  1238.614       26.57691  1248.377       42.41118  1232.301       34.10349  2.136017       7.729053  
1 1 1 15 3  5  o 147.6895 1.489631  218.1416       4.399082  215.4233       6.143667  221.0017       6.301833  -1.887131      2.979263  
1 1 1 15 3  6  o 95.39474 1.179095  91.28281       2.183774  92.09687       2.779637  89.97016       3.529655  1.121758       2.358189  
1 1 1 15 3  7  o 192.9954 2.151852  373.3898       8.139484  375.1600       10.52472  370.7554       12.83916  1.190094       4.303704  
1 1 1 15 3  8  o 143.1123 1.798149  205.0462       5.146117  204.5767       7.217712  205.5317       7.339225  -0.3308105     3.596299  
1 1 1 15 3  9  o 98.01897 1.350065  96.16087       2.646385  97.64713       3.741115  94.67233       3.743995  1.517525       2.700130  
1 1 1 15 3  10 o 26.02603 1.660935  6.923099       0.8390749 7.466780       1.090417  6.133808       1.313830  2.568113       3.321871  
1 1 1 15 3  11 o 49.05916 1.629208  24.13228       1.596419  24.52721       2.212126  23.70306       2.306164  0.8437958      3.258417  
1 1 1 15 3  12 o 41.77373 0.9825360 16.46534       0.7209924 19.57238       1.467584  15.47687       0.8277730 4.884010       1.965072  
1 1 1 15 3  13 o 59.97558 1.096855  35.52930       1.269863  37.82868       2.120049  34.24277       1.585812  2.969234       2.193711  
1 1 1 15 3  14 o 110.9952 1.388273  122.9282       3.005290  126.4071       4.848252  120.7572       3.829840  2.468430       2.776546  
1 1 1 15 3  15 o 54.96841 0.8192954 30.04873       0.8806636 29.27444       1.125655  31.27047       1.413970  -1.795586      1.638591  
1 1 1 15 3  16 o 31.67771 1.217893  9.727499       0.7501625 8.685107       0.9376940 11.58074       1.250293  -4.529020      2.435786  
1 1 1 15 3  17 o 32.61161 1.150827  9.993342       0.6918944 8.995936       0.8147554 12.57278       1.310249  -5.379805      2.301653  
1 1 1 15 3  18 o 27.30949 1.154814  7.558486       0.6273344 6.896914       0.9065120 8.166499       0.8690434 -2.333712      2.309628  
1 1 1 15 3  19 o 19.17824 1.602396  3.730912       0.6093061 3.587293       0.8039541 3.924738       0.9339653 -0.8205795     3.204791  
1 1 1 15 3  20 o 10.88967 2.390141  1.254543       0.5698206 1.130657       0.7510980 1.422531       0.8746308 -1.126685      4.780281  
1 1 1 15 3  21 o 12.47104 2.519581  1.672011       0.6294112 1.382483       0.7652141 2.277622       1.106711  -2.821104      5.039163  
1 1 1 15 3  22 o 10.51528 2.349902  1.275480       0.5617834 1.004979       0.7896137 1.552756       0.7994407 -1.924192      4.699804  
1 1 1 15 3  23 o 10.34968 3.465619  0.8164202E-01  1.917057  -0.1651151     2.775773  0.3066801      2.650800  -0.2152748     6.931238  
1 1 1 15 4  0  o 124.5103 1.917654  152.0278       4.383648  163.4775       8.101524  147.2878       5.212640  0.000000       0.000000  
1 1 1 15 4  1  o 147.4286 1.390030  215.8906       4.022435  225.0585       6.388628  209.8692       5.177546  5.145004       2.780060  
1 1 1 15 4  2  o 99.75175 1.106525  101.0292       2.140987  106.3758       2.755802  92.88865       3.400430  6.763199       2.213051  
1 1 1 15 4  3  o 334.6892 3.376894  1114.603       20.22678  1137.752       38.63322  1105.861       23.74066  4.550140       6.753789  
1 1 1 15 4  4  o 128.8102 1.395297  165.8596       3.386364  166.2758       5.877940  165.6528       4.143003  0.2304382      2.790593  
1 1 1 15 4  5  o 113.9825 1.248606  130.6609       2.705732  127.6673       4.580683  132.2651       3.353229  -2.026405      2.497211  
1 1 1 15 4  6  o 288.9420 2.843558  836.4016       16.43174  841.5305       23.37192  831.3887       23.10633  1.748749       5.687117  
1 1 1 15 4  7  o 84.13420 0.9567446 70.79154       1.607978  70.54867       2.218626  71.06029       2.333792  -0.3029327     1.913489  
1 1 1 15 4  8  o 171.5251 1.927088  295.0050       6.492833  292.5425       10.16823  296.7003       8.436768  -1.255997      3.854176  
1 1 1 15 4  9  o 66.96574 1.011633  45.14425       1.337916  42.95078       2.032969  46.82008       1.776965  -2.893082      2.023265  
1 1 1 15 4  10 o 97.20118 1.462678  0.000000       0.000000  ?              ?         94.53894       2.843480  ?              ?         
1 1 1 15 4  11 o 91.28761 1.525100  83.16079       2.602818  84.34656       4.599412  82.60214       3.156951  0.9010849      3.050200  
1 1 1 15 4  12 o 84.76344 1.219919  0.000000       0.000000  ?              ?         71.89294       2.068091  ?              ?         
1 1 1 15 4  13 o 91.43436 1.149362  83.23286       1.949608  84.99136       3.501137  82.44250       2.347192  1.348145       2.298724  
1 1 1 15 4  14 o 116.5218 1.358783  134.9890       2.941991  139.3728       5.280493  133.0158       3.542791  2.596275       2.717566  
1 1 1 15 4  15 o 41.26152 0.7875834 17.20166       0.6432548 18.40894       0.8699470 15.74540       0.9554523 3.233498       1.575167  
1 1 1 15 4  16 o 24.37099 1.262151  5.974863       0.6117061 6.820465       0.8770686 5.173955       0.8535758 3.374750       2.524301  
1 1 1 15 4  17 o 54.83891 0.8322028 30.14123       0.9040859 29.89459       1.196607  30.46929       1.380071  -0.4960136     1.664406  
1 1 1 15 4  18 o 37.29498 0.9219533 13.95046       0.6866528 12.94103       0.9483297 15.06288       0.9955366 -2.835228      1.843907  
1 1 1 15 4  19 o 11.91909 2.362886  1.532246       0.5847291 1.596779       0.7843415 1.451508       0.8773102 0.4971199      4.725772  
1 1 1 15 4  20 o 36.54057 1.000342  13.53689       0.7261131 13.81045       0.9777299 13.20046       1.084273  0.8773689      2.000684  
1 1 1 15 4  21 o 28.87867 1.097140  8.531163       0.6335512 8.295271       0.8893381 8.774234       0.9027665 -0.8192368     2.194280  
1 1 1 15 4  22 o 21.58656 1.327333  4.827746       0.5683869 5.770439       0.8453074 4.049802       0.7678979 3.891191       2.654666  
1 1 1 15 4  23 o 9.636650 3.311728  -1.297202      2.020279  -1.882737      2.840231  -0.6975425     2.874285  -0.7034044     6.623456  
1 1 1 15 5  0  o 197.1337 2.395605  389.0839       9.438842  389.0569       13.35987  389.1108       13.33723  0.000000       0.000000  
1 1 1 15 5  1  o 94.59526 1.031083  89.36308       1.947281  87.42879       2.664109  91.58194       2.853364  -2.194450      2.062165  
1 1 1 15 5  2  o 107.4323 1.387771  113.2867       2.939986  103.4223       3.793368  128.1252       4.652462  -11.49195      2.775542  
1 1 1 15 5  3  o 165.4947 1.476138  274.9217       4.752653  269.7621       7.631663  278.1903       6.074321  -2.556534      2.952275  
1 1 1 15 5  4  f 132.8540 1.811776  185.0905       4.110507  160.1548       8.075850  193.8093       4.775362  -12.69404      3.623553  
1 1 1 15 5  5  o 178.3794 1.984468  318.4575       6.936022  318.2981       10.96826  318.5637       8.953576  -0.1012726     3.968935  
1 1 1 15 5  6  o 245.8289 2.428008  604.2138       11.92202  587.4255       16.36727  623.1891       17.40071  -7.252762      4.856015  
1 1 1 15 5  7  o 120.8180 1.256441  146.0474       3.035779  146.9414       4.275114  145.1380       4.311599  0.7468109      2.512881  
1 1 1 15 5  8  o 150.2288 1.524562  225.8119       4.578672  223.4278       6.368225  228.3633       6.587797  -1.638123      3.049124  
1 1 1 15 5  9  o 88.87211 1.002267  79.03535       1.780957  81.18673       2.517712  76.88073       2.519597  2.422607       2.004535  
1 1 1 15 5  10 o 51.71399 0.9709038 25.60385       0.9556946 30.48362       1.681744  23.27635       1.161461  6.957722       1.941808  
1 1 1 15 5  11 o 157.0762 2.364639  251.9643       7.234657  226.6698       11.27639  269.6598       9.431671  -13.79247      4.729278  
1 1 1 15 5  12 o 80.34644 1.244594  64.63876       1.999391  66.76015       2.840351  62.55514       2.814951  2.615852       2.489188  
1 1 1 15 5  13 o 72.68352 1.113572  53.11921       1.611149  49.88553       2.349066  55.99160       2.213950  -4.205772      2.227144  
1 1 1 15 5  14 o 36.63620 1.249321  13.38714       0.8644860 13.66965       1.499609  13.24652       1.057973  0.5452347      2.498641  
1 1 1 15 5  15 o 42.82979 1.281962  15.60738       0.8047518 14.47522       0.8653374 22.85375       2.189235  -9.630005      2.563923  
1 1 1 15 5  16 o 53.72359 0.8943306 28.50106       0.9431624 31.14206       1.510399  26.81303       1.207529  3.998108       1.788661  
1 1 1 15 5  17 o 20.75261 1.392852  4.538495       0.5514208 5.241042       0.7196061 3.539188       0.8582358 4.134510       2.785703  
1 1 1 15 5  18 o 14.73747 1.817438  2.279524       0.5108947 2.394741       0.6668364 2.115777       0.7949620 1.249881       3.634877  
1 1 1 15 5  19 o 28.58554 1.206462  8.476027       0.6719505 9.805504       0.9065088 6.854697       1.001076  5.192972       2.412923  
1 1 1 15 5  20 o 22.43273 1.315719  5.193589       0.5801325 5.559443       0.7708533 4.715715       0.8809974 1.937344       2.631438  
1 1 1 15 5  21 f 24.19601 1.307212  6.208964       0.6098931 6.845092       0.7932380 5.289183       0.9538358 3.354261       2.614425  
1 1 1 15 5  22 o 7.125746 2.211028  0.3278533E-01  0.5926487 0.1974955      0.7319019 -0.2808618     1.009981  -0.7594776E-01 4.422055  
1 1 1 15 5  23 o 9.172315 4.503744  -2.075904      2.828225  -2.075904      2.828225  ?              ?         ?              ?         
1 1 1 15 6  0  o 378.0189 4.545355  1429.720       34.30024  1474.344       50.02218  1390.118       47.12325  0.000000       0.000000  
1 1 1 15 6  1  o 276.4994 2.721134  765.1523       15.04741  769.0589       21.37888  761.3170       21.18297  1.397766       5.442268  
1 1 1 15 6  2  o 262.2463 2.582242  687.8381       13.53660  701.6714       19.52752  675.0416       18.78154  5.068939       5.164485  
1 1 1 15 6  3  o 280.1589 2.932227  781.0131       15.34778  799.0340       27.21415  772.6083       18.58535  4.602173       5.864453  
1 1 1 15 6  4  o 396.3715 3.472381  1577.874       26.75837  1557.069       43.10413  1590.918       34.13139  -4.434296      6.944763  
1 1 1 15 6  5  o 180.3514 2.456960  327.6601       7.129823  322.3120       15.75330  329.0378       7.995608  -1.995193      4.913920  
1 1 1 15 6  6  o 195.1940 1.944658  381.3074       7.590978  385.4248       10.82754  377.3273       10.64531  2.071091       3.889315  
1 1 1 15 6  7  o 125.7940 1.306420  158.0201       3.279969  153.8846       4.473184  162.8291       4.823787  -3.550201      2.612840  
1 1 1 15 6  8  o 104.7645 1.129999  109.8132       2.367354  112.1958       3.355714  107.4526       3.340228  2.263481       2.259998  
1 1 1 15 6  9  o 55.22506 0.8512669 30.64161       0.9334564 31.77352       1.260990  29.26941       1.388402  2.269009       1.702534  
1 1 1 15 6  10 o 126.6641 1.414052  158.2297       3.329057  167.1273       6.005119  154.2820       3.999971  5.008514       2.828105  
1 1 1 15 6  11 o 130.5585 2.048056  169.0786       4.962544  176.0191       8.944518  165.9921       5.964779  3.688004       4.096112  
1 1 1 15 6  12 o 41.72171 1.125329  17.43987       0.9353797 17.26674       1.381422  17.58645       1.271106  -0.3869743     2.250657  
1 1 1 15 6  13 o 108.3251 1.263462  118.4425       2.621234  114.3316       4.352553  120.7819       3.283423  -3.025635      2.526925  
1 1 1 15 6  14 o 120.8171 1.469547  147.0540       3.508808  142.8900       5.350990  150.1950       4.647460  -3.087044      2.939094  
1 1 1 15 6  15 o 62.83780 0.7914755 39.65302       0.9814203 40.19742       1.291828  38.90992       1.509280  1.040447       1.582951  
1 1 1 15 6  16 o 33.98880 0.9747634 11.76601       0.6524988 13.37147       0.8937193 9.933383       0.9548569 5.064655       1.949527  
1 1 1 15 6  17 o 42.92245 0.8661251 18.60101       0.7273433 19.03201       0.9420516 17.96488       1.144485  1.274895       1.732250  
1 1 1 15 6  18 o 25.41721 1.139113  6.442431       0.5692546 6.146914       0.7330520 6.891356       0.9035065 -1.420870      2.278225  
1 1 1 15 6  19 o 29.59106 1.092004  8.936976       0.6092159 9.140532       0.7509397 8.545059       1.041983  1.095419       2.184008  
1 1 1 15 6  20 o 8.893308 2.084145  0.6795818      0.5658104 1.429006       0.6538576 -1.554567      1.128952  5.173409       4.168290  
1 1 1 15 6  21 o 24.07880 1.331998  6.236486       0.6131207 7.317065       0.8100391 4.787021       0.9381709 5.364017       2.663997  
1 1 1 15 6  22 o 16.90875 1.723497  3.075316       0.5786113 3.035060       0.7720308 3.126905       0.8739797 -0.1096497     3.446994  
1 1 1 15 6  23 o 11.31092 5.234872  1.196877       2.806631  1.196877       2.806631  ?              ?         ?              ?         
1 1 1 15 7  0  o 312.3820 4.340175  980.7451       23.55101  972.6146       46.70350  983.5175       27.27238  0.000000       0.000000  
1 1 1 15 7  1  o 63.28219 0.7543463 40.10770       0.9290680 39.79361       1.494645  40.30547       1.186039  -0.4054184     1.508693  
1 1 1 15 7  2  o 115.2512 1.347116  126.9639       2.887392  148.7920       5.315814  117.8286       3.438916  13.42178       2.694232  
1 1 1 15 7  3  o 308.0248 3.712888  950.4654       22.87154  957.6871       32.58550  943.4529       32.11021  2.302124       7.425775  
1 1 1 15 7  4  o 399.3034 3.501916  1600.931       27.17192  1583.752       43.85559  1611.634       34.61674  -3.679016      7.003832  
1 1 1 15 7  5  o 172.4968 1.612510  297.1523       5.487107  301.1289       8.517623  294.3313       7.174081  1.953705       3.225021  
1 1 1 15 7  6  o 227.7499 2.378228  524.9294       10.39586  499.4952       17.11099  539.8109       13.08844  -8.937439      4.756456  
1 1 1 15 7  7  o 182.2872 2.051923  330.2141       7.270808  343.3242       11.86542  322.3315       9.200536  5.695221       4.103845  
1 1 1 15 7  8  o 91.08377 1.040346  83.04962       1.891519  83.85913       2.602550  82.14323       2.753884  0.9441910      2.080691  
1 1 1 15 7  9  o 30.79072 1.281899  9.383538       0.7757393 10.03663       1.233089  8.955765       0.9979632 1.749859       2.563798  
1 1 1 15 7  10 o 96.71391 1.232130  92.50291       2.326523  98.69221       3.771901  88.70229       2.955753  5.141106       2.464260  
1 1 1 15 7  11 o 162.7284 1.863826  264.1770       5.920847  271.3480       9.524619  259.6606       7.558790  3.497742       3.727653  
1 1 1 15 7  12 o 100.2184 1.185282  101.3271       2.287216  97.68317       3.750396  103.4850       2.886044  -2.926582      2.370565  
1 1 1 15 7  13 o 33.35939 1.428873  11.12599       0.9493286 9.771294       1.309881  12.62482       1.377800  -4.273325      2.857746  
1 1 1 15 7  14 o 136.7964 1.545788  184.2749       3.916288  197.6440       7.133415  178.5068       4.685574  6.754135       3.091576  
1 1 1 15 7  15 o 113.9243 1.070564  130.1524       2.435480  129.5238       3.348466  130.8584       3.548840  -0.5651779     2.141129  
1 1 1 15 7  16 o 49.21385 0.8427471 24.22468       0.8279026 23.43464       1.129632  25.14149       1.216894  -1.724979      1.685494  
1 1 1 15 7  17 o 28.52216 1.062986  8.308962       0.5814940 8.661552       0.7346286 7.717410       0.9515428 1.696939       2.125973  
1 1 1 15 7  18 o 34.42104 0.9573446 11.92896       0.6360323 11.95885       0.8014272 11.87810       1.045405  0.1703529      1.914689  
1 1 1 15 7  19 o 26.65170 1.108950  7.417189       0.5623650 8.112473       0.7155989 6.294328       0.9093924 3.472811       2.217900  
1 1 1 15 7  20 o 14.19229 2.073344  2.122894       0.5421175 2.016798       0.6613976 2.340096       0.9463378 -0.8296452     4.146688  
1 1 1 15 7  21 o 29.82898 1.372088  10.12338       0.7050077 11.41500       0.8467283 7.204150       1.272953  7.413986       2.744176  
1 1 1 15 7  22 o 6.753280 2.047609  0.1271404      0.4523076 0.1088836      0.5329224 0.1741664      0.8553061 -1.414100      4.095218  
1 1 1 15 7  23 o 11.13229 5.121245  1.101444       2.635442  1.101444       2.635442  ?              ?         ?              ?         
1 1 1 15 8  0  o 150.3026 2.271444  227.9076       6.507687  220.8215       10.90303  231.8291       8.110901  0.000000       0.000000  
1 1 1 15 8  1  o 112.1448 1.095537  125.5158       2.429651  124.0310       3.196131  127.5486       3.739612  -1.565681      2.191074  
1 1 1 15 8  2  o 103.8501 1.102587  107.8582       2.289427  108.1703       3.279193  107.5613       3.197818  0.2928085      2.205174  
1 1 1 15 8  3  o 151.8069 1.891861  0.000000       0.000000  ?              ?         230.5133       5.743950  ?              ?         
1 1 1 15 8  4  o 276.6868 2.546767  768.4509       14.01745  745.8359       20.76049  787.3994       19.00321  -7.540253      5.093535  
1 1 1 15 8  5  o 151.5498 1.427744  230.3842       4.298203  224.2827       6.417998  235.3464       5.787876  -3.657516      2.855487  
1 1 1 15 8  6  o 154.4807 1.395613  239.1227       4.188769  237.2753       6.769362  240.2690       5.332198  -0.9881897     2.791226  
1 1 1 15 8  7  o 127.8560 1.333225  163.2286       3.401273  158.8516       4.629576  168.3619       5.013596  -3.712852      2.666450  
1 1 1 15 8  8  o 183.1940 1.837982  336.0169       6.732503  333.6885       9.404165  338.4650       9.642710  -1.297226      3.675963  
1 1 1 15 8  9  o 106.7255 1.418134  114.0568       3.024224  114.8614       4.195907  113.1869       4.362769  0.7888641      2.836268  
1 1 1 15 8  10 o 127.8646 1.344527  163.6904       3.435592  163.4570       4.762611  163.9437       4.960768  -0.1837311     2.689054  
1 1 1 15 8  11 o 26.92004 1.790633  7.378345       0.9170486 10.43109       1.337053  4.666605       1.260165  10.70326       3.581266  
1 1 1 15 8  12 o 53.60287 1.355878  29.62808       1.400370  37.96433       1.956079  20.86353       2.005698  15.95349       2.711756  
1 1 1 15 8  13 o 61.86296 1.033831  37.74474       1.248487  40.86718       2.030483  35.84664       1.583115  4.039719       2.067663  
1 1 1 15 8  14 o 58.88517 0.7883804 34.93404       0.9153857 36.14592       1.209870  33.31150       1.399930  2.416443       1.576761  
1 1 1 15 8  15 o 75.37843 0.8436727 56.66739       1.255425  55.34722       1.639476  58.53888       1.952020  -2.091187      1.687345  
1 1 1 15 8  16 f 20.87659 1.339320  4.527987       0.5289880 4.886231       0.6654629 3.913025       0.8718851 2.365374       2.678639  
1 1 1 15 8  17 o 15.44284 1.947772  2.997728       0.4986370 3.640421       0.5946808 1.475931       0.9150826 7.147933       3.895545  
1 1 1 15 8  18 o 22.32535 1.362338  5.380646       0.5569568 6.082430       0.6930330 4.100801       0.9359035 4.511906       2.724676  
1 1 1 15 8  19 o 9.027594 2.321146  0.4171788      0.4982600 0.9561076E-01  0.5720037 1.428687       1.014488  -5.294823      4.642292  
1 1 1 15 8  20 o 8.978649 2.249893  0.7810155      0.4948468 0.9260052      0.5857419 0.4195410      0.9248612 0.7778559      4.499787  
1 1 1 15 8  21 o 15.74183 1.819977  2.662342       0.5375729 2.651800       0.6761301 2.680458       0.8863328 0.4121580      3.639954  
1 1 1 15 8  22 o 17.02925 2.425702  3.303826       0.7591923 3.690940       1.359532  3.128410       0.9151778 0.3069172      4.851404  
1 1 1 15 9  0  o 291.6138 4.023031  868.9443       20.94045  814.8328       39.22612  890.5115       24.76443  0.000000       0.000000  
1 1 1 15 9  1  o 295.1362 2.720044  871.0771       15.86965  866.5048       20.88580  877.3228       24.41025  -1.788055      5.440088  
1 1 1 15 9  2  o 119.7800 1.329957  141.6860       2.961632  138.6785       3.562060  148.4206       5.330343  -4.055168      2.659914  
1 1 1 15 9  3  o 203.3980 1.887909  415.1570       7.643262  400.0671       11.25623  428.0672       10.41153  -6.892334      3.775818  
1 1 1 15 9  4  o 87.47668 1.069651  77.52081       1.806672  72.61796       2.919202  80.56459       2.300099  -4.546928      2.139301  
1 1 1 15 9  5  o 152.0602 1.443572  231.9430       4.378638  218.9760       6.302205  244.0435       6.088006  -8.245270      2.887143  
1 1 1 15 9  6  o 122.9352 1.202698  151.2704       2.934632  150.5699       4.426341  151.8198       3.920024  -0.5146027     2.405396  
1 1 1 15 9  7  o 230.8083 2.142535  534.1154       9.810450  529.6932       14.81478  537.5692       13.09245  -1.754028      4.285071  
1 1 1 15 9  8  o 158.4565 1.614458  251.3583       5.115171  251.0378       7.152975  251.6938       7.317729  -0.2029572     3.228917  
1 1 1 15 9  9  o 95.82883 1.329137  91.04205       2.513060  86.89032       3.263553  97.09012       3.938979  -5.304764      2.658274  
1 1 1 15 9  10 o 58.29282 1.150733  33.53845       1.173266  33.04806       1.356866  34.99161       2.335749  -1.639366      2.301466  
1 1 1 15 9  11 o 124.1578 1.519456  153.5870       3.600559  151.6698       4.454682  157.1994       6.114870  -2.159828      3.038912  
1 1 1 15 9  12 o 122.8670 1.467993  151.1344       3.542405  151.9703       5.569595  150.5667       4.590582  0.5238419      2.935986  
1 1 1 15 9  13 o 67.60037 0.9979386 45.95740       1.287904  45.05529       2.162665  46.45313       1.603182  -1.056831      1.995877  
1 1 1 15 9  14 o 47.00817 1.012490  21.91472       0.9465137 24.32267       1.434747  20.05920       1.259462  4.523216       2.024979  
1 1 1 15 9  15 o 80.04805 1.100687  63.55714       1.683829  66.79418       2.868408  61.85515       2.079909  2.997566       2.201374  
1 1 1 15 9  16 o 74.42353 0.9995871 55.33474       1.417538  56.43943       2.413423  54.75291       1.751498  1.047745       1.999174  
1 1 1 15 9  17 o 8.148412 2.331214  0.2760643      0.5990423 0.5644103      0.8590524 0.3133293E-02  0.8357746 1.474779       4.662428  
1 1 1 15 9  18 o 29.52185 1.252977  9.497252       0.6307144 10.27231       0.7406635 7.452454       1.203037  4.908201       2.505955  
1 1 1 15 9  19 o 33.51014 0.9758794 11.48005       0.6236089 11.84223       0.7800649 10.83870       1.038039  1.584431       1.951759  
1 1 1 15 9  20 f 17.61784 1.957738  3.381226       0.5719722 3.472373       0.6635663 3.117732       1.128229  1.669662       3.915476  
1 1 1 15 9  21 o 26.55370 1.210718  7.653082       0.5743807 8.264264       0.6919865 6.299195       1.029919  3.972446       2.421436  
1 1 1 15 9  22 o 8.004461 2.521244  -0.1463179     0.8113624 0.5211112      1.266264  -0.6112072     1.056809  2.363992       5.042487  
1 1 1 15 10 0  o 140.4090 2.158420  198.6104       5.766033  193.7825       9.716663  201.2347       7.163707  0.000000       0.000000  
1 1 1 15 10 1  o 231.4504 1.985640  535.9427       9.190860  531.7759       12.90270  540.2346       13.09511  -1.825409      3.971281  
1 1 1 15 10 2  o 288.3616 2.660177  830.6416       15.14089  821.4338       19.81740  843.5533       23.46723  -3.781158      5.320354  
1 1 1 15 10 3  o 66.98696 0.8255499 45.04108       1.099393  43.21483       1.627683  46.57322       1.490865  -2.507507      1.651100  
1 1 1 15 10 4  o 70.23128 0.8969997 48.53614       1.246512  44.17984       1.624633  54.77098       1.943607  -7.537895      1.793999  
1 1 1 15 10 5  o 127.6861 1.239861  162.6716       3.124187  160.5157       4.085013  165.7095       4.849137  -2.025177      2.479721  
1 1 1 15 10 6  o 299.6887 2.560669  899.8043       15.34609  910.5676       21.91871  889.4551       21.49286  3.510315       5.121338  
1 1 1 15 10 7  o 222.7639 2.079650  494.7440       9.099072  485.0963       11.74958  509.1988       14.38189  -5.334763      4.159301  
1 1 1 15 10 8  o 184.3906 1.732361  341.3347       6.335918  347.6579       8.478569  333.3377       9.534831  3.912308       3.464722  
1 1 1 15 10 9  o 72.92935 0.8281129 53.19903       1.207745  52.12927       1.697080  54.29679       1.719152  -1.485680      1.656226  
1 1 1 15 10 10 o 49.76360 0.9216794 24.96042       0.9031867 23.66690       1.385301  25.91680       1.191166  -2.265068      1.843359  
1 1 1 15 10 11 o 94.35583 0.9213720 89.11868       1.737682  92.86374       2.460808  85.39398       2.454113  3.958130       1.842744  
1 1 1 15 10 12 f 201.3998 2.030457  406.9752       8.176098  417.0018       11.74318  397.5420       11.39039  4.806992       4.060914  
1 1 1 15 10 13 o 31.33353 1.111516  9.844510       0.6948743 10.00852       0.9547630 9.659792       1.013244  0.5594120      2.223032  
1 1 1 15 10 14 o 35.72466 1.201003  12.69239       0.8545748 14.16328       1.277487  11.50106       1.149692  3.715691       2.402006  
1 1 1 15 10 15 o 65.86223 1.041234  43.81021       1.314562  42.47118       2.180690  44.57457       1.647574  -1.653938      2.082469  
1 1 1 15 10 16 o 62.26063 0.9755628 38.82846       1.193890  39.30663       1.875116  38.50246       1.548275  0.6033363      1.951126  
1 1 1 15 10 17 o 39.41383 1.031846  15.67790       0.8093972 17.52129       1.147876  13.85502       1.141472  4.649586       2.063691  
1 1 1 15 10 18 o 11.85293 2.502864  1.500788       0.6441332 1.252876       0.9504811 1.711349       0.8759592 -1.489333      5.005728  
1 1 1 15 10 19 o 19.99872 1.760727  4.588536       0.4893338 4.810843       0.5404317 3.576901       1.152858  3.691847       3.521455  
1 1 1 15 10 20 f 17.04593 1.811251  3.302623       0.5026782 3.538167       0.5862227 2.648371       0.9770110 3.200700       3.622501  
1 1 1 15 10 21 o 6.774522 2.105440  0.3746792E-02  0.4834485 0.6504053E-02  0.5568939 -0.4687289E-02 0.9739853 -1.681401      4.210880  
1 1 1 15 10 22 o 11.06614 2.838402  1.450015       0.8087538 1.661144       1.206003  1.277473       1.090239  1.049397       5.676804  
1 1 1 15 11 0  o 234.6927 3.278614  558.8194       13.59893  537.1029       26.04999  566.9545       15.94385  0.000000       0.000000  
1 1 1 15 11 1  f 96.58008 1.132138  90.94431       2.020113  87.38967       2.407647  99.39809       3.712968  -6.208199      2.264276  
1 1 1 15 11 2  o 66.03416 0.8462888 43.61884       1.109130  43.67528       1.480345  43.54662       1.674660  0.9850311E-01  1.692578  
1 1 1 15 11 3  o 170.9033 1.726517  291.6159       5.891224  302.9082       8.642573  281.8149       8.051673  6.163376       3.453034  
1 1 1 15 11 4  o 255.0449 2.358478  652.6359       11.94833  662.9204       16.05943  639.8847       17.88211  4.552612       4.716956  
1 1 1 15 11 5  o 84.28622 1.046962  70.63643       1.648977  69.88006       1.997110  72.25671       2.923010  -1.400475      2.093923  
1 1 1 15 11 6  o 130.3035 1.211098  167.9646       3.004745  163.8127       3.696729  176.0479       5.158130  -4.673737      2.422196  
1 1 1 15 11 7  o 165.4817 1.488705  276.0313       4.816695  283.8493       6.239072  264.4970       7.578221  5.875717       2.977411  
1 1 1 15 11 8  o 144.6510 1.321750  209.4077       3.691934  209.3817       4.650715  209.4520       6.071024  0.7705688E-02  2.643500  
1 1 1 15 11 9  o 126.1406 1.143992  159.1410       2.882455  157.3110       3.967992  161.1856       4.194223  -1.530205      2.287983  
1 1 1 15 11 10 o 44.62330 0.8166944 20.05082       0.7241634 21.85380       1.001973  18.07911       1.047807  4.230438       1.633389  
1 1 1 15 11 11 o 21.76814 1.349119  5.144696       0.5291494 5.895344       0.6538386 3.719800       0.9008330 5.006189       2.698238  
1 1 1 15 11 12 o 76.32230 0.8470115 58.07582       1.277898  56.92195       1.676100  59.67771       1.974873  -1.796638      1.694023  
1 1 1 15 11 13 o 26.17944 1.317734  6.864535       0.6889896 6.372137       0.9600101 7.387557       0.9894122 -1.937405      2.635467  
1 1 1 15 11 14 o 47.86502 1.142076  23.02489       1.089766  22.22490       1.590041  23.73355       1.496531  -1.583817      2.284152  
1 1 1 15 11 15 o 90.22795 1.115460  81.81166       1.950489  81.30884       3.173140  82.11702       2.472821  -0.5294647     2.230920  
1 1 1 15 11 16 o 90.79776 1.022825  82.80627       1.857251  82.10086       2.635939  83.50172       2.617259  -0.7742233     2.045650  
1 1 1 15 11 17 o 23.50023 1.702421  5.304869       0.6679653 5.064569       0.7515472 6.208539       1.457419  -2.182163      3.404842  
1 1 1 15 11 18 o 12.59323 2.235799  1.545882       0.5381111 1.197592       0.6501535 2.303395       0.9588264 -3.984405      4.471597  
1 1 1 15 11 19 o 33.34107 1.151257  11.27864       0.7668628 11.06862       1.103958  11.47447       1.066051  -0.6247940     2.302515  
1 1 1 15 11 20 o 18.26176 1.732556  3.560796       0.6162967 3.875010       0.8111774 3.131787       0.9478447 2.167480       3.465111  
1 1 1 15 11 21 o 17.90384 1.602491  3.107070       0.5073726 2.816490       0.5824780 4.020932       1.032969  -2.804131      3.204982  
1 1 1 15 11 22 o 15.22862 2.889484  2.972467       0.8936517 2.887690       1.384066  3.033078       1.170290  -0.8704739     5.778968  
1 1 1 15 12 0  o 160.7434 2.314442  258.6114       7.437171  258.6114       7.437171  258.6114       7.437171  0.000000       0.000000  
1 1 1 15 12 1  o 156.7020 1.489134  246.3654       4.645378  254.0151       6.332057  237.4498       6.835955  5.290848       2.978267  
1 1 1 15 12 2  o 116.9231 1.161246  136.8938       2.692666  135.6183       4.071545  137.8853       3.589798  -0.9736633     2.322493  
1 1 1 15 12 3  o 90.23129 1.165537  82.13950       2.077422  76.35796       3.130105  86.69110       2.777276  -5.729294      2.331074  
1 1 1 15 12 4  o 176.3034 1.812271  315.1907       5.876589  321.7990       7.080950  300.5668       10.53361  6.077560       3.624543  
1 1 1 15 12 5  o 133.9246 1.242281  177.8429       3.177872  174.1810       3.927840  184.7823       5.407106  -3.938324      2.484562  
1 1 1 15 12 6  o 140.1873 1.509430  199.1821       4.082473  206.7839       5.190157  186.8468       6.611413  7.138535       3.018861  
1 1 1 15 12 7  o 117.3008 1.111999  137.6304       2.514725  137.5306       3.160152  137.8028       4.152378  -0.9966278E-01 2.223998  
1 1 1 15 12 8  f 123.3529 1.309578  153.6315       2.951790  155.6349       3.531862  148.9901       5.375737  2.736664       2.619155  
1 1 1 15 12 9  f 38.90967 0.9266986 16.46117       0.6444100 18.72581       0.7897372 11.94903       1.114742  8.715096       1.853397  
1 1 1 15 12 10 o 34.23611 0.9013257 11.68607       0.5733132 11.61551       0.6916462 11.84099       1.024907  -0.3217735     1.802651  
1 1 1 15 12 11 o 103.7943 1.008411  108.2751       2.028792  109.6818       2.578666  105.9897       3.286774  1.800323       2.016821  
1 1 1 15 12 12 o 54.73263 0.7995025 30.19328       0.8280910 30.66233       1.022058  29.29702       1.412819  1.258175       1.599005  
1 1 1 15 12 13 o 40.47456 1.023932  16.39784       0.8282911 16.70496       1.197968  16.11655       1.146488  0.7239113      2.047864  
1 1 1 15 12 14 o 38.96960 1.085499  15.53823       0.7856742 16.10600       0.9584884 14.37546       1.371659  2.257172       2.170998  
1 1 1 15 12 15 o 24.12677 1.563089  5.997451       0.6840317 6.195874       0.8190148 5.539847       1.243776  1.427914       3.126177  
1 1 1 15 12 16 o 26.58412 1.302441  6.763600       0.6312290 6.294593       0.7406569 8.008424       1.206649  -3.121243      2.604881  
1 1 1 15 12 17 o 24.43747 1.449041  6.302728       0.6323400 6.663722       0.7551563 5.455669       1.156761  2.588692       2.898081  
1 1 1 15 12 18 o 21.76562 1.751523  5.151825       0.7042251 5.856330       0.8853855 3.938570       1.161895  4.537783       3.503047  
1 1 1 15 12 19 o 30.40020 1.231421  9.350802       0.7472649 10.16317       1.092147  8.635729       1.024663  2.482397       2.462843  
1 1 1 15 12 20 o 21.16490 1.642951  4.954409       0.6514291 6.038336       0.8578916 3.478324       1.001124  6.180449       3.285901  
1 1 1 15 12 21 o 9.273527 2.469461  0.8361265      0.6225910 0.9263735      0.8161455 0.7105080      0.9628934 0.3290777      4.938923  
1 1 1 15 12 22 o 10.60654 2.877727  1.199851       0.8579054 1.640790       1.293670  0.8537138      1.146195  1.977905       5.755455  
1 1 1 15 13 0  o 286.2337 4.898321  821.0958       28.02294  821.0958       28.02294  821.0958       28.02294  0.000000       0.000000  
1 1 1 15 13 1  o 209.7710 1.811934  440.1490       7.598901  447.6811       10.93053  433.1036       10.57141  3.469467       3.623867  
1 1 1 15 13 2  o 52.53930 0.8381441 26.83086       0.8512485 24.79295       1.057834  30.57518       1.433877  -5.500145      1.676288  
1 1 1 15 13 3  o 66.77756 0.8620026 44.63362       1.137508  44.81577       1.499035  44.38635       1.746540  0.3234329      1.724005  
1 1 1 15 13 4  o 236.5974 2.100063  560.9208       9.630144  562.2621       12.20526  558.7084       15.67476  0.8235626      4.200127  
1 1 1 15 13 5  o 80.24910 1.016117  63.50480       1.424583  62.56480       1.646374  66.30564       2.841894  -2.316742      2.032234  
1 1 1 15 13 6  o 99.85924 1.141745  101.8485       2.229322  113.3367       2.971931  87.06663       3.371147  13.15981       2.283489  
1 1 1 15 13 7  o 153.0282 1.466762  233.6345       4.420081  230.1151       5.746994  238.7312       6.915951  -2.787979      2.933523  
1 1 1 15 13 8  o 145.9826 1.672180  211.9680       4.738420  207.5105       5.986197  219.4472       7.753992  -4.031342      3.344360  
1 1 1 15 13 9  o 220.0249 2.052617  485.4206       8.933426  484.5844       11.78874  486.5485       13.69118  -0.3480225     4.105233  
1 1 1 15 13 10 f 136.9388 1.330958  187.7323       3.604586  187.5188       4.754808  188.0207       5.527261  -0.1562653     2.661916  
1 1 1 15 13 11 o 127.5925 1.248055  163.5854       3.173849  173.2586       4.401801  153.1107       4.580534  7.902557       2.496110  
1 1 1 15 13 12 o 116.9275 1.176893  134.3694       2.664033  127.3392       3.330633  146.8553       4.438652  -8.296440      2.353786  
1 1 1 15 13 13 o 37.14056 0.9886439 13.70451       0.7136734 13.35179       0.9025500 14.29301       1.165818  -1.250721      1.977288  
1 1 1 15 13 14 o 30.79409 1.228146  9.926922       0.6958151 10.67869       0.8524647 8.426220       1.204428  3.695700       2.456292  
1 1 1 15 13 15 o 31.96109 1.122673  10.52113       0.6991930 12.20878       0.9441788 8.471873       1.040430  5.857956       2.245347  
1 1 1 15 13 16 o 19.63028 1.553911  3.790339       0.5816557 3.552763       0.7117230 4.268135       1.009323  -1.737568      3.107821  
1 1 1 15 13 17 o 45.06603 0.9908231 20.85049       0.8288720 21.62236       1.011066  19.26861       1.447432  2.701382       1.981646  
1 1 1 15 13 18 o 9.059837 2.370609  0.7116559      0.5694293 0.9518825      0.6768643 0.1299078      1.053316  1.175963       4.741218  
1 1 1 15 13 19 f 24.43727 1.347893  5.948963       0.6430637 5.489120       0.8124602 6.720209       1.052190  -2.396206      2.695786  
1 1 1 15 13 20 f 29.85486 1.238702  9.538733       0.7070362 11.42562       0.9430643 7.116844       1.068430  7.309584       2.477404  
1 1 1 15 13 21 o 15.50777 2.161085  2.778333       0.6388689 3.077752       0.8278532 2.337445       1.004565  2.933964       4.322169  
1 1 1 15 13 22 o 12.02481 3.385995  1.799596       1.141913  1.695245       2.331653  1.832522       1.309734  0.1560068      6.771990  
1 1 1 15 14 0  o 78.19199 1.789867  61.24769       2.795805  61.24769       2.795805  61.24769       2.795805  0.000000       0.000000  
1 1 1 15 14 1  o 27.39608 1.234607  7.486019       0.6730594 7.298314       0.9025586 7.721171       1.010213  -0.7705994     2.469215  
1 1 1 15 14 2  o 36.95639 0.9657266 13.72187       0.7068959 14.14019       0.9448645 13.19008       1.065348  1.286499       1.931453  
1 1 1 15 14 3  o 214.9056 2.004889  461.9346       8.517359  459.5854       11.20990  465.1430       13.10062  -1.255890      4.009778  
1 1 1 15 14 4  o 165.3948 1.676901  273.2318       5.539222  284.1296       8.099545  263.6562       7.592320  6.179779       3.353802  
1 1 1 15 14 5  o 105.6881 1.032122  112.0459       2.112091  112.9658       2.676707  110.5281       3.438141  1.163429       2.064244  
1 1 1 15 14 6  o 17.68902 1.966077  2.130055       0.6202122 0.5330279      0.7099944 7.273852       1.274209  -18.53079      3.932154  
1 1 1 15 14 7  o 28.54582 1.043234  7.562779       0.5464047 6.779853       0.6406168 9.652961       1.046719  -5.025053      2.086467  
1 1 1 15 14 8  o 111.0713 1.126114  120.9709       2.415598  114.4343       3.008352  132.8343       4.052828  -8.258064      2.252228  
1 1 1 15 14 9  o 107.8745 1.169491  116.3843       2.520398  114.5116       3.472319  118.4698       3.664176  -1.828987      2.338983  
1 1 1 15 14 10 o 130.7171 1.225738  170.1498       3.075244  167.8507       3.829994  174.3217       5.159252  -2.430481      2.451476  
1 1 1 15 14 11 o 117.4829 1.122953  138.7962       2.560904  140.7821       3.263547  135.6140       4.131314  2.231651       2.245906  
1 1 1 15 14 12 o 51.15570 1.060923  26.93284       0.8978422 27.53191       1.021983  24.90657       1.879557  2.601376       2.121847  
1 1 1 15 14 13 o 66.82867 1.131849  44.62212       1.414696  44.36142       1.716954  45.17333       2.496584  -0.5507507     2.263699  
1 1 1 15 14 14 o 47.43861 0.9479243 22.04220       0.8470296 21.08615       1.026297  24.08471       1.500079  -3.116982      1.895849  
1 1 1 15 14 15 o 41.96943 0.9336204 17.68532       0.7627658 17.74274       0.9738007 17.59417       1.226983  0.2062302      1.867241  
1 1 1 15 14 16 o 49.16998 0.9546179 24.52963       0.8971266 25.13548       1.122697  23.45941       1.492170  1.767910       1.909236  
1 1 1 15 14 17 o 25.03519 1.307861  6.206209       0.6329378 5.859919       0.7893049 6.830006       1.059367  -1.858931      2.615722  
1 1 1 15 14 18 f 9.782290 2.398974  0.9225588      0.6107276 1.330456       0.7360961 0.2151337E-01  1.094038  2.744848       4.797947  
1 1 1 15 14 19 o 35.46829 1.136836  12.98371       0.7919862 14.97184       1.086290  10.72780       1.157140  6.014774       2.273672  
1 1 1 15 14 20 o 18.06278 1.890255  3.433656       0.6692725 3.239027       0.8557257 3.740259       1.074034  -1.110538      3.780510  
1 1 1 15 14 21 o 12.37146 2.941459  1.896165       0.9041305 1.142995       1.376129  2.468211       1.199300  -3.369041      5.882919  
1 1 1 15 14 22 o 12.33921 3.665016  2.036804       1.473483  3.121825       2.468285  1.436043       1.836651  2.471975       7.330031  
1 1 1 15 15 0  o 11.91750 3.364970  1.923574       0.8065445 1.376618       1.085887  2.596633       1.204577  0.000000       0.000000  
1 1 1 15 15 1  o 153.1815 1.470879  233.0908       4.417779  226.5508       5.673701  243.1616       7.040634  -5.402847      2.941758  
1 1 1 15 15 2  o 278.6362 2.581337  775.0770       14.16741  762.2939       18.42609  793.5619       22.15750  -5.514679      5.162673  
1 1 1 15 15 3  o 132.6325 1.242518  176.2406       3.194716  176.9907       4.052030  175.0083       5.193541  0.7627716      2.485037  
1 1 1 15 15 4  o 129.3132 1.215827  166.9273       3.030749  165.8956       3.802908  168.7233       5.017485  -1.075119      2.431653  
1 1 1 15 15 5  o 129.5546 1.222697  165.4247       3.003408  160.2986       3.672926  175.7694       5.217663  -5.944298      2.445394  
1 1 1 15 15 6  o 203.8855 1.828134  415.5883       7.192883  413.5836       9.042521  419.0422       11.86910  -1.258408      3.656269  
1 1 1 15 15 7  o 93.58836 1.504764  80.52000       1.999314  77.76530       2.149221  98.22604       5.448835  -10.84225      3.009528  
1 1 1 15 15 8  o 84.48891 1.068608  70.58932       1.562848  69.76088       1.799000  73.13805       3.155463  -1.964790      2.137217  
1 1 1 15 15 9  o 45.05747 1.039338  19.79016       0.8321526 19.20010       0.9675667 21.46676       1.630984  -2.498196      2.078675  
1 1 1 15 15 10 o 75.11729 1.049032  56.88556       1.450550  57.53535       1.744532  55.42999       2.611020  1.427612       2.098065  
1 1 1 15 15 11 o 34.75019 1.290595  11.82838       0.6975386 11.67517       0.7706192 12.52316       1.641046  -1.183544      2.581190  
1 1 1 15 15 12 o 49.82852 1.103235  24.15674       0.9627650 23.43349       1.110363  26.34762       1.932553  -2.882755      2.206470  
1 1 1 15 15 13 o 40.28725 1.167350  16.71620       0.9006379 18.05730       1.148976  14.57900       1.450452  4.339836       2.334700  
1 1 1 15 15 14 o 17.25097 2.369932  2.935436       0.7457982 2.588002       0.8978482 3.708686       1.339451  -3.025196      4.739864  
1 1 1 15 15 15 f 37.69126 1.058999  13.86217       0.7364622 13.26248       0.8762122 15.30538       1.359285  -2.644173      2.117998  
1 1 1 15 15 16 o 26.11093 1.266368  6.852234       0.6449345 6.761947       0.8230030 6.995902       1.038173  -0.3949337     2.532735  
1 1 1 15 15 17 o 65.36916 0.8733242 43.00095       1.131441  43.36225       1.505970  42.53273       1.714419  0.6769028      1.746648  
1 1 1 15 15 18 o 37.96802 0.9906903 14.70213       0.7407850 15.71969       0.9878010 13.39436       1.119834  3.100780       1.981381  
1 1 1 15 15 19 o 33.93835 1.184291  11.80912       0.7941700 12.67556       1.070373  10.74801       1.184536  2.891205       2.368582  
1 1 1 15 15 20 f 29.10983 1.295042  8.587860       0.7352256 8.072343       0.9298247 9.447896       1.200985  -2.126091      2.590084  
1 1 1 15 15 21 o 17.43922 2.310012  3.828138       0.7526842 5.097377       0.9942635 2.124298       1.151978  8.823711       4.620025  
1 1 1 15 15 22 o 11.20935 3.392312  1.279189       1.175730  2.820084       2.409303  0.7975408      1.347007  3.477228       6.784624  
1 1 1 15 16 0  o 101.2070 1.957600  102.5725       3.959147  102.5725       3.959147  102.5725       3.959147  0.000000       0.000000  
1 1 1 15 16 1  o 108.2138 1.106547  116.9853       2.361593  116.1925       3.087681  118.1028       3.665843  -0.8758545     2.213095  
1 1 1 15 16 2  o 179.4770 1.703363  320.3406       6.001500  311.9700       7.730202  333.0415       9.522004  -5.835831      3.406727  
1 1 1 15 16 3  o 154.5779 1.482531  239.2680       4.537770  240.1364       6.014381  238.1203       6.914007  0.6686096      2.965063  
1 1 1 15 16 4  o 102.3169 1.131231  104.5896       2.310052  102.5459       3.153384  106.9565       3.393646  -2.151627      2.262462  
1 1 1 15 16 5  o 84.73820 0.9209480 71.92326       1.503344  72.17513       1.889152  71.48835       2.482446  0.4133072      1.841896  
1 1 1 15 16 6  o 34.08512 1.015166  11.73302       0.6513104 11.95520       0.8002480 11.29705       1.120968  0.9710007      2.030331  
1 1 1 15 16 7  o 76.09451 0.9040248 57.53729       1.337779  56.29536       1.694811  59.59009       2.178939  -2.156044      1.808050  
1 1 1 15 16 8  o 160.0044 1.465737  256.2942       4.529075  255.9724       5.704551  256.8430       7.449194  -0.2079620     2.931474  
1 1 1 15 16 9  o 47.93128 0.8790933 22.55428       0.7856027 21.83052       0.9449576 24.17403       1.413641  -2.433971      1.758187  
1 1 1 15 16 10 o 79.56587 0.9521921 63.28640       1.485806  62.99331       1.919123  63.72494       2.347514  -0.4469299     1.904384  
1 1 1 15 16 11 o 150.6539 1.459081  227.9223       4.356007  231.0498       5.803459  223.8870       6.592318  2.418289       2.918162  
1 1 1 15 16 12 o 39.68546 1.003282  15.41453       0.7354003 14.86927       0.8770244 16.70586       1.349669  -2.288223      2.006563  
1 1 1 15 16 13 o 57.23642 1.050424  32.08149       1.103637  30.99236       1.310296  34.74073       2.047419  -3.215462      2.100847  
1 1 1 15 16 14 o 17.78031 1.989805  2.564492       0.6191252 1.721970       0.7098900 5.241755       1.265453  -9.967976      3.979610  
1 1 1 15 16 15 o 31.98799 1.059823  10.13244       0.6602123 9.674761       0.8344722 10.89837       1.079499  -1.876822      2.119647  
1 1 1 15 16 16 o 46.30259 0.8891298 21.55406       0.8095782 21.60704       1.053788  21.47775       1.264683  0.1797523      1.778260  
1 1 1 15 16 17 o 43.28188 0.9892390 18.89771       0.8547627 19.69479       1.191253  18.05183       1.227181  1.906963       1.978478  
1 1 1 15 16 18 f 10.57447 2.479386  1.145888       0.5881540 1.188273       0.7098073 1.053033       1.050603  -0.4809189E-01 4.958773  
1 1 1 15 16 19 o 34.78167 1.108441  12.57322       0.7514356 14.59022       1.016219  10.13989       1.116182  6.441553       2.216882  
1 1 1 15 16 20 o 32.14323 1.273070  10.67205       0.8128322 12.21326       1.160107  9.185842       1.139215  4.691593       2.546139  
1 1 1 15 16 21 o 8.983730 2.626095  0.5668992      0.7541209 0.4170731      0.9693182 0.7966395      1.200303  -1.318404      5.252189  
1 1 1 15 16 22 o 7.144433 3.362019  0.000000       0.000000  ?              ?         -0.7034616     1.251064  ?              ?         
1 1 1 15 17 0  o 18.01319 2.754745  3.682756       0.8574583 2.622141       1.196869  4.801138       1.229029  0.000000       0.000000  
1 1 1 15 17 1  o 105.7106 1.308384  112.6616       2.728948  106.1212       4.147895  117.6531       3.623643  -5.462761      2.616768  
1 1 1 15 17 2  o 77.72701 0.8939107 59.88572       1.328089  58.62222       1.642689  62.27019       2.256668  -2.339676      1.787821  
1 1 1 15 17 3  o 49.01627 0.9039460 24.28908       0.8752394 26.14278       1.178949  22.01296       1.306389  4.214275       1.807892  
1 1 1 15 17 4  o 47.97875 1.111761  22.96152       1.042499  23.35744       1.668012  22.70773       1.335460  0.6716881      2.223522  
1 1 1 15 17 5  o 130.1819 1.288366  169.0962       3.301832  166.7981       4.291325  172.4309       5.169263  -2.145111      2.576733  
1 1 1 15 17 6  o 109.7413 1.271631  120.4480       2.625652  120.2779       3.207860  120.7934       4.570341  -0.2026062     2.543262  
1 1 1 15 17 7  o 47.06863 0.9355825 21.93476       0.8478912 21.33622       1.057081  23.01456       1.419822  -1.774975      1.871165  
1 1 1 15 17 8  o 88.83347 1.186275  79.21283       2.088415  77.28783       3.153929  80.71589       2.786932  -1.940376      2.372550  
1 1 1 15 17 9  o 85.32887 0.9821301 71.55631       1.625242  67.82070       2.037435  78.09208       2.694957  -6.000748      1.964260  
1 1 1 15 17 10 o 45.79446 0.9591407 21.65557       0.8447710 24.04823       1.094998  18.13776       1.327731  6.460472       1.918281  
1 1 1 15 17 11 o 32.79435 1.299232  9.818062       0.7052451 9.154320       0.7868685 12.52865       1.590135  -5.104631      2.598465  
1 1 1 15 17 12 o 114.1179 1.176990  131.0345       2.659170  134.1858       3.542911  126.9689       4.024162  3.197876       2.353981  
1 1 1 15 17 13 o 41.80930 1.168337  17.46585       0.8795674 17.36874       1.037093  17.71469       1.660117  -0.3494949     2.336675  
1 1 1 15 17 14 o 14.37440 2.099507  1.885345       0.5387387 1.490653       0.6290358 2.971725       1.043608  -4.929096      4.199015  
1 1 1 15 17 15 o 37.84279 0.9907684 14.05230       0.7310009 12.99048       0.9212831 15.85701       1.201073  -3.740860      1.981537  
1 1 1 15 17 16 o 21.90874 1.513260  4.950898       0.6349317 5.189928       0.8024935 4.550819       1.038218  1.532841       3.026519  
1 1 1 15 17 17 o 31.52147 1.176136  10.01963       0.7344534 9.864767       0.9707152 10.22699       1.123248  -0.5243797     2.352273  
1 1 1 15 17 18 o 10.83294 2.601075  1.130309       0.6957378 0.6309106      0.9556292 1.693562       1.014886  -3.222174      5.202150  
1 1 1 15 17 19 o 8.742189 2.483603  0.3253587      0.6983501 -0.2868410     0.9538882 1.032508       1.025195  -3.148975      4.967207  
1 1 1 15 17 20 o 13.16325 2.661790  1.871951       0.7034379 1.463746       0.8521621 2.745023       1.246258  -3.757577      5.323581  
1 1 1 15 17 21 o 16.89942 2.653042  3.571259       0.8464375 3.777198       1.034430  3.153977       1.472472  3.091244       5.306084  
1 1 1 15 18 0  o 51.00252 1.312724  25.50285       1.309415  29.24223       2.115779  23.18153       1.667014  0.000000       0.000000  
1 1 1 15 18 1  o 25.31421 1.225234  6.437532       0.6156524 6.181791       0.9186888 6.646007       0.8294605 -0.9183941     2.450467  
1 1 1 15 18 2  o 46.38589 0.8723152 21.20907       0.7952837 19.94280       1.020900  23.16361       1.268354  -3.468712      1.744630  
1 1 1 15 18 3  o 47.77158 1.044268  22.96562       0.9287165 23.20312       1.126988  22.46303       1.639425  0.7823372      2.088536  
1 1 1 15 18 4  f 121.8709 1.304839  148.3274       3.173977  144.0621       4.328721  153.2870       4.667797  -3.777710      2.609678  
1 1 1 15 18 5  o 27.82063 1.246744  7.815581       0.6489987 7.947311       0.7924935 7.547339       1.130877  0.7263660      2.493489  
1 1 1 15 18 6  o 20.12339 1.591010  4.096030       0.6033052 4.179873       0.7424216 3.933024       1.035190  0.6228542      3.182020  
1 1 1 15 18 7  o 86.49679 0.9567716 74.00477       1.564056  72.30203       1.909604  77.47499       2.726136  -2.970703      1.913543  
1 1 1 15 18 8  o 93.37463 1.034324  86.94147       1.887905  85.79761       2.418105  88.72723       3.021327  -1.552742      2.068647  
1 1 1 15 18 9  o 62.90625 0.8878271 39.84958       1.059227  40.40477       1.309829  38.80034       1.800626  1.288204       1.775654  
1 1 1 15 18 10 o 56.06231 0.8848807 31.57730       0.9379405 31.83716       1.154341  31.07239       1.609052  0.6956482      1.769761  
1 1 1 15 18 11 o 53.00825 1.503630  27.44512       0.9966633 27.24344       1.054564  29.13192       3.049806  -1.659576      3.007260  
1 1 1 15 18 12 o 46.69065 1.092204  21.09638       0.9706749 19.55946       1.182894  24.26490       1.698432  -5.002228      2.184409  
1 1 1 15 18 13 o 21.82783 1.592283  4.548504       0.6688572 3.949678       0.8210992 5.729529       1.153121  -4.025236      3.184566  
1 1 1 15 18 14 f 19.17057 1.549739  3.487202       0.5350727 3.231655       0.6222059 4.212766       1.048422  -2.479603      3.099478  
1 1 1 15 18 15 o 64.03282 0.8910609 41.17506       1.127366  41.19705       1.483956  41.14505       1.733689  0.8132935E-01  1.782122  
1 1 1 15 18 16 o 32.79102 1.098149  10.70867       0.6995123 10.33771       0.8823900 11.33613       1.147587  -1.460453      2.196299  
1 1 1 15 18 17 o 56.75049 0.9679688 32.54770       1.054233  32.79798       1.320148  32.10713       1.751511  0.7276001      1.935938  
1 1 1 15 18 18 o 10.89927 2.462575  1.163713       0.6050650 0.8176999      0.7746881 1.704979       0.9689147 -3.175893      4.925150  
1 1 1 15 18 19 o 15.57450 2.232590  3.014747       0.6559092 3.848326       0.8261610 1.593485       1.078768  7.348490       4.465179  
1 1 1 15 18 20 o 25.89991 1.404342  7.156291       0.7060118 7.880125       0.9279016 6.161123       1.088004  3.490479       2.808684  
1 1 1 15 18 21 o 12.30186 3.548624  1.747110       1.263419  1.526689       1.477174  2.347713       2.438363  -1.779994      7.097249  
1 1 1 15 19 0  o 41.56375 1.761587  16.93419       1.367021  15.97204       1.650644  19.03497       2.439060  0.000000       0.000000  
1 1 1 15 19 1  f 180.2485 1.579763  325.0387       5.692583  331.6175       8.196869  318.9097       7.911757  3.518463       3.159525  
1 1 1 15 19 2  o 164.8761 1.577374  272.0569       5.145005  272.6242       7.881409  271.6357       6.791834  0.2739105      3.154749  
1 1 1 15 19 3  o 164.4424 1.512056  271.0067       4.815256  271.9542       6.097013  269.4360       7.850113  0.8078918      3.024112  
1 1 1 15 19 4  o 112.7158 1.384344  128.0163       3.071952  132.3670       4.043921  122.0801       4.723639  4.579956       2.768689  
1 1 1 15 19 5  o 130.7570 1.851453  171.5911       3.630978  171.7400       3.984981  170.8632       8.812201  0.5005188      3.702906  
1 1 1 15 19 6  o 79.90991 1.094529  63.42631       1.599410  62.73103       1.903256  65.09750       2.950744  -1.453339      2.189058  
1 1 1 15 19 7  o 50.23364 1.077801  24.68151       0.9669578 24.01323       1.128409  26.52852       1.875961  -2.483753      2.155602  
1 1 1 15 19 8  o 55.96468 1.087610  32.22800       1.032566  33.05438       1.188740  29.68823       2.083990  3.032726       2.175221  
1 1 1 15 19 9  o 62.17741 1.051854  37.90921       1.110305  37.22837       1.264592  40.19986       2.319563  -2.354713      2.103708  
1 1 1 15 19 10 o 88.81226 0.9824252 79.92843       1.687752  83.06438       2.154467  74.94703       2.715386  4.589630       1.964850  
1 1 1 15 19 11 f 77.45053 0.9366769 59.41440       1.361599  58.22095       1.652235  61.94040       2.403736  -2.363762      1.873354  
1 1 1 15 19 12 o 46.87755 1.019124  20.76761       0.8386584 19.53009       0.9626552 24.66455       1.708268  -5.422573      2.038248  
1 1 1 15 19 13 o 47.53072 1.251746  22.81446       1.183021  25.20209       1.654897  20.31915       1.691802  5.141376       2.503491  
1 1 1 15 19 14 o 52.71298 0.8775610 27.61015       0.8517172 27.22073       1.018131  28.51798       1.554538  -1.170326      1.755122  
1 1 1 15 19 15 o 11.23909 2.331925  1.326870       0.5277233 1.378454       0.6221717 1.194597       0.9963005 0.3242035      4.663850  
1 1 1 15 19 16 o 15.20398 2.256444  2.447154       0.6465193 2.387267       0.8146999 2.549016       1.062511  -0.3411474     4.512887  
1 1 1 15 19 17 o 9.456764 2.543643  0.6712443      0.6264122 0.5815922      0.7547742 0.8696674      1.122879  -1.787302      5.087285  
1 1 1 15 19 18 o 9.323895 2.604606  0.5679334      0.7325304 0.1909175      1.047388  0.9289244      1.024887  -1.674262      5.209211  
1 1 1 15 19 19 o 21.88936 2.000050  5.908971       0.7209572 8.046402       0.9409684 2.870507       1.121905  12.24380       4.000099  
1 1 1 15 19 20 o 13.29400 3.113602  2.201948       0.9057955 2.296392       1.030331  1.880573       1.900614  1.154610       6.227205  
1 1 1 15 19 21 o 28.19489 2.584489  8.943060       1.382867  11.28973       2.454424  7.851689       1.673825  4.050617       5.168978  
1 1 1 15 20 0  o 8.959000 3.534195  1.095036       0.9401996 0.8360948      1.359934  1.332125       1.301290  0.000000       0.000000  
1 1 1 15 20 1  o 147.0146 1.427095  216.1932       4.147094  215.4178       5.458769  217.2517       6.377598  -0.6026306     2.854190  
1 1 1 15 20 2  o 11.36177 2.285512  1.328712       0.5497152 1.561255       0.7600650 1.073655       0.7960096 1.763248       4.571023  
1 1 1 15 20 3  o 111.5881 1.151535  124.7159       2.546601  123.7628       3.863466  125.4482       3.386383  -0.7651596     2.303070  
1 1 1 15 20 4  o 205.5975 2.206068  421.9150       8.499595  418.3679       10.32793  429.3593       14.96191  -2.475540      4.412136  
1 1 1 15 20 5  o 74.69715 0.9400732 56.41049       1.385789  60.24370       1.856037  51.58168       2.083174  5.802994       1.880146  
1 1 1 15 20 6  o 139.1023 1.314621  192.7330       3.503401  190.3029       4.354119  197.1951       5.900035  -2.426590      2.629243  
1 1 1 15 20 7  o 132.7154 1.325014  176.4393       3.475186  176.8764       4.578571  175.8453       5.337590  0.4144745      2.650028  
1 1 1 15 20 8  o 228.6359 2.051775  526.4829       9.116335  532.7404       11.63236  516.5212       14.67692  3.731979       4.103549  
1 1 1 15 20 9  o 77.55681 0.9904413 60.23447       1.501710  60.33767       1.930753  60.07642       2.389236  0.1836777      1.980883  
1 1 1 15 20 10 o 36.44548 1.149928  13.56562       0.7616279 13.95489       0.9116372 12.66600       1.385873  1.789654       2.299856  
1 1 1 15 20 11 o 96.92617 1.036535  94.96474       1.943002  97.56692       2.471223  90.75151       3.144489  3.559845       2.073069  
1 1 1 15 20 12 o 47.88234 0.9079499 22.31237       0.8124281 21.20418       0.9757665 24.81663       1.466828  -3.733154      1.815900  
1 1 1 15 20 13 o 84.38104 1.121551  70.49695       1.731394  69.10594       2.057099  73.87628       3.206310  -2.692612      2.243102  
1 1 1 15 20 14 o 39.05642 1.000510  15.48520       0.7024214 15.70982       0.8315894 14.92588       1.312245  1.070221       2.001020  
1 1 1 15 20 15 o 46.31580 0.9055424 20.97518       0.7626988 20.20307       0.8988976 22.95985       1.441165  -2.872269      1.811085  
1 1 1 15 20 16 o 38.11845 1.230435  14.74877       0.9328491 13.88530       1.367591  15.50010       1.275694  -2.145653      2.460870  
1 1 1 15 20 17 o 27.02057 1.238477  7.005837       0.6280841 6.338181       0.7518879 8.547481       1.142533  -3.937445      2.476954  
1 1 1 15 20 18 o 22.43478 1.550783  4.961672       0.6788319 4.290380       0.8528965 6.121902       1.121276  -3.921837      3.101566  
1 1 1 15 20 19 o 43.51751 1.201358  19.93595       0.9804099 20.97338       1.214123  17.99171       1.662101  3.781586       2.402717  
1 1 1 15 20 20 o 19.59753 2.084316  4.385709       0.7744172 5.109167       1.056953  3.547189       1.137905  4.396160       4.168633  
1 1 1 15 20 21 o 10.21921 3.248041  0.6910325      1.322817  0.7987881      2.334746  0.6400880      1.605345  1.048412       6.496081  
1 1 1 15 21 0  o 12.43150 3.424665  2.073150       0.9296618 3.225409       1.344353  1.017108       1.287002  0.000000       0.000000  
1 1 1 15 21 1  o 141.7946 1.283018  201.2036       3.638116  199.5859       5.100863  202.8787       5.190452  -1.159012      2.566035  
1 1 1 15 21 2  o 40.19592 0.9990466 15.81297       0.7865177 14.55243       0.9994019 17.86399       1.274812  -4.114067      1.998093  
1 1 1 15 21 3  o 71.95676 0.9382973 50.41706       1.294105  47.24960       1.592846  56.56762       2.219607  -6.462975      1.876595  
1 1 1 15 21 4  o 34.14130 1.055969  11.65502       0.7144537 11.59349       0.9472420 11.73620       1.088125  -0.2055855     2.111939  
1 1 1 15 21 5  o 137.4240 1.457457  189.1225       4.005601  191.3920       5.696279  186.9026       5.633787  1.631119       2.914915  
1 1 1 15 21 6  o 110.9722 1.166935  122.9114       2.548296  121.3127       3.309318  125.2404       3.994195  -1.749489      2.333870  
1 1 1 15 21 7  o 57.34655 0.9308267 33.32708       1.011010  34.26447       1.253236  31.58010       1.710867  2.352142       1.861653  
1 1 1 15 21 8  o 84.86861 1.020125  72.03394       1.695360  71.79453       2.183952  72.39700       2.689394  -0.3383331     2.040250  
1 1 1 15 21 9  o 77.02776 0.9510900 58.19474       1.374963  56.06720       1.662354  62.80259       2.446434  -4.345795      1.902180  
1 1 1 15 21 10 o 77.42413 0.9491161 60.32626       1.400770  61.05215       1.741173  58.99452       2.358376  1.356857       1.898232  
1 1 1 15 21 11 f 43.66420 1.135868  18.32661       0.8737650 17.51587       1.007954  20.77790       1.752667  -3.680775      2.271736  
1 1 1 15 21 12 f 55.06240 0.9689315 30.45700       1.026618  30.61913       1.288898  30.17562       1.697936  0.4409103      1.937863  
1 1 1 15 21 13 f 50.50111 0.9130694 24.96119       0.8443300 24.10047       1.000458  27.09159       1.573973  -2.901459      1.826139  
1 1 1 15 21 14 o 16.98240 1.946369  2.774216       0.5699435 2.551517       0.6564673 3.455946       1.148575  -2.189843      3.892738  
1 1 1 15 21 15 o 20.82607 1.597027  4.295034       0.6420450 4.013534       0.7978076 4.812438       1.081616  -1.822428      3.194054  
1 1 1 15 21 16 o 22.63252 1.532403  5.336251       0.6524285 5.602535       0.8092903 4.841906       1.102673  1.801998       3.064806  
1 1 1 15 21 17 o 38.16168 1.147781  14.72939       0.8728274 14.33851       1.178492  15.20432       1.299021  -1.082161      2.295563  
1 1 1 15 21 18 o 33.92176 1.406329  11.61941       0.8326868 11.44466       0.9631561 12.13655       1.656876  -0.6072464     2.812657  
1 1 1 15 21 19 o 36.86777 1.156190  14.05363       0.8314977 14.51904       1.075426  13.36185       1.311125  1.750015       2.312381  
1 1 1 15 21 20 o 30.37739 1.484276  9.673516       0.8812240 9.360546       1.125607  10.16908       1.416388  -0.9332542     2.968551  
1 1 1 15 21 21 o 11.41521 4.525882  0.000000       0.000000  ?              ?         1.768171       1.535029  ?              ?         
1 1 1 15 22 0  o 13.63465 3.429586  2.413365       0.8407682 2.187723       1.094867  2.737664       1.312577  0.000000       0.000000  
1 1 1 15 22 1  o 52.96521 0.8250970 28.01818       0.8731235 27.09324       1.201789  29.05217       1.270653  -1.848110      1.650194  
1 1 1 15 22 2  o 270.5276 2.332527  734.2850       12.62024  735.9245       17.86075  732.6502       17.83472  0.6038513      4.665054  
1 1 1 15 22 3  o 50.51199 1.484819  25.58658       1.074418  25.60130       1.166376  25.50410       2.760680  0.1487083      2.969638  
1 1 1 15 22 4  o 59.84548 0.9416562 35.86240       1.101167  35.95480       1.414810  35.72042       1.753802  0.2038422      1.883312  
1 1 1 15 22 5  o 156.9954 1.528501  247.2712       4.753618  249.7608       6.319494  244.0265       7.214280  1.860626       3.057001  
1 1 1 15 22 6  f 115.0000 1.293957  132.2341       2.973508  136.7421       4.316847  128.1642       4.101745  3.722046       2.587914  
1 1 1 15 22 7  o 93.77492 1.152964  88.01646       2.161763  87.14790       3.015403  88.93488       3.100772  -0.9497757     2.305928  
1 1 1 15 22 8  o 55.98693 1.006297  30.94771       1.099642  29.52317       1.395047  33.28518       1.786994  -3.346363      2.012593  
1 1 1 15 22 9  o 36.22377 1.317867  13.14553       0.9467682 13.13427       1.259845  13.16013       1.435067  -0.2654648E-01 2.635734  
1 1 1 15 22 10 o 39.60135 1.184778  15.92072       0.9069193 16.55888       1.156874  14.90321       1.460800  2.111958       2.369556  
1 1 1 15 22 11 o 47.50834 1.044507  22.90546       0.9724218 24.23968       1.277042  21.06425       1.500172  3.359886       2.089015  
1 1 1 15 22 12 o 59.27163 1.104570  35.05362       1.296211  36.65258       1.997584  33.89072       1.703562  2.295937       2.209140  
1 1 1 15 22 13 o 27.73558 1.311324  7.483213       0.7051235 6.769537       0.8780999 8.778907       1.183163  -3.570435      2.622648  
1 1 1 15 22 14 o 21.50944 1.555099  4.820021       0.5838181 4.974753       0.6831942 4.401156       1.124062  1.453491       3.110199  
1 1 1 15 22 15 o 45.06863 1.059192  20.46589       0.9507236 20.60785       1.289482  20.29679       1.407280  0.3722115      2.118384  
1 1 1 15 22 16 o 28.35076 1.933244  8.919358       0.7035407 9.142687       0.7547407 7.438854       1.943262  3.580273       3.866487  
1 1 1 15 22 17 o 12.15667 2.519711  1.695988       0.8012526 2.652703       0.9501933 -0.6585806     1.490652  6.992089       5.039422  
1 1 1 15 22 18 o 41.88070 1.060656  18.07337       0.8729498 19.24801       1.157142  16.52184       1.329879  3.359249       2.121311  
1 1 1 15 22 19 o 37.06905 1.130688  14.20007       0.8304678 14.82608       1.117586  13.42817       1.241003  1.991428       2.261376  
1 1 1 15 22 20 o 13.09157 3.044128  2.128948       0.8675063 1.958806       1.031486  2.540139       1.603540  -1.074512      6.088256  
1 1 1 15 23 0  o 195.9089 2.430166  384.7588       9.511320  379.3137       13.22664  390.5897       13.68726  0.000000       0.000000  
1 1 1 15 23 1  o 35.75587 0.9902029 12.81653       0.7064767 13.76626       0.9963934 11.85637       1.001847  2.670868       1.980406  
1 1 1 15 23 2  o 82.28010 0.9605696 67.38081       1.557980  65.67912       2.026168  69.84231       2.436880  -2.519974      1.921139  
1 1 1 15 23 3  o 80.37036 0.9888755 64.83373       1.564659  65.77943       2.048172  63.50837       2.424703  1.422211       1.977751  
1 1 1 15 23 4  o 81.13597 1.196675  64.06435       1.826481  60.76912       2.206566  71.23570       3.255180  -6.418556      2.393350  
1 1 1 15 23 5  o 160.0187 1.657666  256.5655       5.304420  255.2761       7.432187  257.9041       7.572958  -0.8149567     3.315332  
1 1 1 15 23 6  o 58.22276 0.9537038 34.19573       1.060642  34.86589       1.324201  32.99628       1.771553  1.618031       1.907408  
1 1 1 15 23 7  o 165.2447 1.534186  274.2193       4.909932  275.9310       6.222320  271.3950       7.992917  1.461517       3.068372  
1 1 1 15 23 8  o 137.2085 1.315279  188.4011       3.474525  187.8844       4.356314  189.3046       5.760077  -0.4515839     2.630558  
1 1 1 15 23 9  o 23.80356 1.629904  5.491870       0.7355633 5.112947       0.8930337 6.291297       1.297124  -2.443523      3.259808  
1 1 1 15 23 10 o 46.64681 1.158934  20.31089       0.9286894 19.02233       1.053619  24.79847       1.966239  -6.123192      2.317868  
1 1 1 15 23 11 o 55.33456 0.9524100 30.94255       0.9956515 31.47348       1.227410  29.92101       1.702564  1.444424       1.904820  
1 1 1 15 23 12 o 23.01342 1.464487  4.843348       0.6359899 3.953154       0.7604635 6.914831       1.160050  -6.371725      2.928973  
1 1 1 15 23 13 o 28.12707 1.260767  7.364509       0.6563874 6.504659       0.7738039 9.570581       1.239451  -5.365305      2.521534  
1 1 1 15 23 14 o 18.47247 1.872838  3.446107       0.6722919 3.329948       0.8490848 3.641300       1.100672  -0.7439137     3.745677  
1 1 1 15 23 15 o 8.884473 2.475383  0.5251234      0.6427773 0.8985549      0.7182691 -0.9764962     1.440329  1.341412       4.950767  
1 1 1 15 23 16 o 28.59749 1.417418  8.935105       0.6699480 9.517579       0.7728294 7.173847       1.343869  4.310766       2.834836  
1 1 1 15 23 17 o 24.63079 1.524760  6.138862       0.7283387 5.880356       0.9155084 6.584558       1.202118  -1.254934      3.049520  
1 1 1 15 23 18 o 13.17785 2.586136  2.060772       0.7098234 2.321061       0.9002376 1.632997       1.154082  2.340041       5.172272  
1 1 1 15 23 19 o 13.22516 2.588636  2.084803       0.7497570 2.881166       1.049353  1.254266       1.071631  5.030373       5.177273  
1 1 1 15 23 20 o 12.18060 3.211836  1.798066       1.005440  1.592774       1.230586  2.210299       1.743806  -1.443048      6.423672  
1 1 1 15 24 0  o 165.9095 2.560390  276.0208       7.986659  275.4879       9.762153  277.0994       13.88886  0.000000       0.000000  
1 1 1 15 24 1  o 120.6151 1.228532  145.2095       2.925779  143.0283       3.829493  148.2679       4.534674  -2.150314      2.457065  
1 1 1 15 24 2  o 130.3412 1.209886  170.0337       3.153520  168.2903       4.415303  171.8491       4.505567  -1.362457      2.419772  
1 1 1 15 24 3  o 75.33457 1.031245  56.84503       1.548791  57.43002       2.113493  56.16651       2.276186  0.8428802      2.062490  
1 1 1 15 24 4  o 89.49950 0.9515317 80.14453       1.702929  79.55808       2.382422  80.75717       2.435051  -0.6685486     1.903063  
1 1 1 15 24 5  o 38.62835 1.021716  14.93531       0.7892567 15.00241       1.109424  14.86655       1.123056  0.1762619      2.043431  
1 1 1 15 24 6  o 26.30031 1.667578  7.074564       0.7766951 7.244351       0.9134713 6.631502       1.475623  1.194427       3.335156  
1 1 1 15 24 7  o 150.3318 1.630129  227.5174       4.425678  228.7716       5.242648  224.4075       8.255661  1.617386       3.260257  
1 1 1 15 24 8  o 57.38549 1.087191  32.19596       1.092675  31.39619       1.261617  34.59674       2.185846  -2.747978      2.174381  
1 1 1 15 24 9  o 37.40245 1.135544  13.95693       0.8102327 13.81090       1.002395  14.23214       1.376133  -0.5374031     2.271089  
1 1 1 15 24 10 o 93.72727 1.046375  89.56000       1.905534  95.32958       2.468762  81.05676       2.997087  7.654617       2.092750  
1 1 1 15 24 11 o 20.32225 2.499080  4.242958       0.9932616 3.976659       1.343630  4.563830       1.474896  -1.712446      4.998160  
1 1 1 15 24 12 o 24.26868 1.735839  5.332323       0.7631255 4.603913       0.8832629 7.476976       1.515586  -5.782887      3.471678  
1 1 1 15 24 13 o 34.92822 1.402209  12.36172       0.8599660 12.40421       1.001613  12.24255       1.677401  0.3986969      2.804419  
1 1 1 15 24 14 o 24.28752 1.422146  5.888893       0.6370872 5.763137       0.7617115 6.181692       1.162279  -0.7430344     2.844293  
1 1 1 15 24 15 o 8.434392 2.313690  0.4033497      0.5437617 0.1642800      0.6754454 0.8436337      0.9166304 -2.726267      4.627379  
1 1 1 15 24 16 o 8.959201 2.569432  0.3327273      0.6510171 0.1291949      0.7619696 0.8829563      1.252831  -3.291564      5.138863  
1 1 1 15 24 17 o 31.98647 1.263133  10.41181       0.7824053 10.42678       0.9908399 10.38701       1.275164  0.1976986      2.526265  
1 1 1 15 24 18 o 10.61610 2.655383  1.097101       0.7028140 0.6857701      0.8981007 1.746978       1.128873  -3.283586      5.310767  
1 1 1 15 24 19 o 17.85299 2.222971  3.656513       0.7671919 4.111288       1.060632  3.157456       1.111071  3.061438       4.445942  
1 1 1 15 24 20 o 10.38719 3.017296  1.077865       0.9696394 0.8761604      1.206189  1.446326       1.630243  -1.542489      6.034592  
1 1 1 15 25 0  o 137.1422 1.784561  188.4816       4.890606  188.0173       6.865315  188.9599       6.968565  0.000000       0.000000  
1 1 1 15 25 1  o 74.99788 0.9515778 56.12190       1.411654  57.35861       2.173621  55.21978       1.856447  1.418144       1.903156  
1 1 1 15 25 2  o 81.15529 1.149218  65.87995       1.859540  59.04063       2.586922  73.19214       2.674855  -8.716133      2.298435  
1 1 1 15 25 3  o 61.47265 0.8713401 37.71542       1.069156  36.37701       1.457793  39.27330       1.572775  -2.352993      1.742680  
1 1 1 15 25 4  o 79.52747 0.9787332 63.02355       1.538171  65.02859       2.381915  61.58929       2.014548  2.151657       1.957466  
1 1 1 15 25 5  o 35.01277 1.101387  12.21952       0.7693094 13.47613       1.127588  11.12522       1.052251  3.354538       2.202774  
1 1 1 15 25 6  o 133.9541 1.301609  180.1184       3.370761  181.2593       4.260424  178.2089       5.511527  1.193787       2.603218  
1 1 1 15 25 7  o 170.1790 1.583897  290.0168       5.198559  288.9622       6.532214  291.8385       8.585358  -0.7212830     3.167795  
1 1 1 15 25 8  o 81.28691 1.002665  66.00064       1.552048  65.61109       1.918240  66.73904       2.641014  -0.6563797     2.005329  
1 1 1 15 25 9  o 64.87732 1.118176  41.64377       1.301613  40.97437       1.527260  43.42044       2.488132  -1.816425      2.236352  
1 1 1 15 25 10 o 23.99166 1.798420  5.677662       0.7981286 5.480327       0.9534279 6.139785       1.459029  -1.290850      3.596839  
1 1 1 15 25 11 o 35.78513 1.334582  12.84546       0.9540156 12.05973       1.316384  13.71468       1.384560  -2.302727      2.669165  
1 1 1 15 25 12 o 35.28359 1.040687  12.07936       0.6944496 11.28386       0.8413779 13.77947       1.230008  -3.483063      2.081375  
1 1 1 15 25 13 o 32.79171 1.262884  10.91583       0.7489637 11.01461       0.8892214 10.67467       1.389395  0.6341553      2.525768  
1 1 1 15 25 14 o 30.32333 1.459949  8.736251       0.7206515 8.347695       0.8029716 10.34511       1.633931  -3.034975      2.919899  
1 1 1 15 25 15 o 32.55796 1.378111  11.00796       0.7316259 11.19658       0.8278986 10.33549       1.563214  1.597574       2.756222  
1 1 1 15 25 16 o 16.27779 2.185107  2.655705       0.6298317 2.437797       0.7356521 3.253932       1.218903  -1.778983      4.370215  
1 1 1 15 25 17 o 10.16811 2.618315  0.8984488      0.6788948 0.5674120      0.8539822 1.466934       1.119104  -3.002534      5.236629  
1 1 1 15 25 18 o 7.727857 2.332762  0.8106814E-01  0.6657168 0.5442260      0.8519614 -0.6451120     1.066787  1.507266       4.665524  
1 1 1 15 25 19 o 14.23797 2.728377  2.614320       0.8052297 2.956360       1.003129  1.994610       1.350244  3.357809       5.456753  
1 1 1 15 25 20 o 15.97578 3.084110  3.448534       0.9511092 3.226599       1.127475  3.996188       1.771114  -0.9647751E-01 6.168221  
1 1 1 15 26 0  o 136.0139 1.782035  185.1207       4.837467  179.9448       6.638713  190.9801       7.063447  0.000000       0.000000  
1 1 1 15 26 1  o 114.4396 1.274239  130.9260       2.913928  136.2678       4.229850  126.1012       4.019989  4.434341       2.548478  
1 1 1 15 26 2  o 90.05345 0.9616339 81.11549       1.731486  79.27660       2.414457  83.06249       2.484424  -2.100052      1.923268  
1 1 1 15 26 3  o 19.13705 2.299966  4.033937       0.8056840 2.681302       1.259051  4.971922       1.048458  -6.267490      4.599931  
1 1 1 15 26 4  o 70.27042 0.9758756 49.36847       1.361103  49.85938       2.060216  48.98824       1.813148  0.6119614      1.951751  
1 1 1 15 26 5  f 88.37112 1.042000  78.19612       1.829690  78.00311       2.746883  78.35004       2.453111  -0.2067413     2.083999  
1 1 1 15 26 6  o 71.89264 0.9648404 51.83831       1.380175  50.66670       2.045871  52.81685       1.869725  -1.501709      1.929681  
1 1 1 15 26 7  o 164.7755 1.618578  272.0232       5.259749  269.8768       6.875214  275.0523       8.167389  -1.472183      3.237157  
1 1 1 15 26 8  o 18.95003 2.169954  3.544421       0.7870636 2.708431       1.017306  4.790972       1.242242  -5.714962      4.339907  
1 1 1 15 26 9  o 59.48389 0.9832425 34.73090       1.096337  33.44691       1.323901  37.53302       1.955773  -3.385921      1.966485  
1 1 1 15 26 10 o 56.46000 1.073912  31.54905       1.194201  29.65389       1.540543  34.40256       1.890339  -4.166912      2.147824  
1 1 1 15 26 11 o 38.77723 1.089526  15.10269       0.7829056 15.11195       0.9441792 15.08232       1.400636  0.9661484E-01  2.179052  
1 1 1 15 26 12 o 32.83580 1.107372  11.36716       0.6906660 13.20686       0.8987166 8.713242       1.079424  6.875654       2.214744  
1 1 1 15 26 13 o 14.56751 2.513140  2.570280       0.6728926 2.917320       0.7599921 1.311229       1.447576  4.766018       5.026280  
1 1 1 15 26 14 o 8.615146 2.485795  0.3255439      0.6225406 0.2590509      0.7362328 0.4923585      1.166122  -2.048256      4.971590  
1 1 1 15 26 15 o 22.58770 1.645076  5.150769       0.6923190 5.042885       0.8352053 5.387681       1.237685  -0.5770092     3.290151  
1 1 1 15 26 16 o 16.80742 2.169797  2.969594       0.6248329 2.912684       0.7248016 3.134271       1.232943  0.8822060E-01  4.339595  
1 1 1 15 26 17 o 9.411844 2.536065  0.7766259      0.6037697 0.7707210      0.6996090 0.7938584      1.195143  -1.145927      5.072131  
1 1 1 15 26 18 o 8.365116 2.537628  0.2111463      0.7696208 0.4690520      1.046970  -0.9205492E-01 1.135192  0.7890310      5.075256  
1 1 1 15 26 19 o 8.795254 2.693789  0.3091182      0.8811174 -0.1103978E-01 1.227619  0.6492953      1.265417  -1.205510      5.387577  
1 1 1 15 27 0  o 42.84483 2.029104  18.49678       1.730394  18.49678       1.730394  18.49678       1.730394  0.000000       0.000000  
1 1 1 15 27 1  o 63.61276 1.043663  40.13465       1.270520  39.26212       1.573568  41.76878       2.153475  -1.951107      2.087326  
1 1 1 15 27 2  o 147.8489 1.456244  219.4465       4.279018  215.0329       6.385994  223.0428       5.764505  -2.738205      2.912488  
1 1 1 15 27 3  o 81.51198 0.9432395 66.48606       1.536840  66.15565       2.135407  66.84109       2.213539  -0.4179916     1.886479  
1 1 1 15 27 4  o 70.83244 1.011921  49.07789       1.378751  46.28782       1.706740  54.31877       2.339170  -5.646912      2.023842  
1 1 1 15 27 5  o 135.4683 1.358516  184.3761       3.662036  178.3921       5.409229  189.4392       4.975695  -4.099365      2.717031  
1 1 1 15 27 6  o 88.22766 0.9602509 77.93781       1.693690  78.09875       2.362271  77.76757       2.429627  0.1906204      1.920502  
1 1 1 15 27 7  o 77.38605 1.040942  60.01954       1.574859  60.09612       2.024794  59.90226       2.505634  0.1559372      2.081884  
1 1 1 15 27 8  o 72.26653 1.004782  52.35466       1.409520  52.44331       1.790459  52.21020       2.285779  0.1951370      2.009564  
1 1 1 15 27 9  f 88.50959 1.023458  79.25050       1.754611  81.47050       2.237261  75.70316       2.828088  3.315201       2.046917  
1 1 1 15 27 10 o 59.36974 1.118483  35.66114       1.142307  35.93708       1.317512  34.82568       2.292518  1.047062       2.236966  
1 1 1 15 27 11 o 27.60554 1.641574  7.325470       0.7559108 7.042202       0.8510371 8.384329       1.645385  -2.263865      3.283148  
1 1 1 15 27 12 o 47.56730 1.017912  22.91473       0.8951311 23.19333       1.080736  22.30601       1.597469  1.026989       2.035823  
1 1 1 15 27 13 o 69.57150 0.9585748 48.21321       1.250781  47.37821       1.518024  49.97862       2.207292  -1.730530      1.917150  
1 1 1 15 27 14 o 36.64636 1.257937  12.75459       0.7804005 12.07324       0.8815489 15.22303       1.677936  -4.021740      2.515874  
1 1 1 15 27 15 o 10.69194 2.489145  1.216580       0.5941014 1.374515       0.6897814 0.7627926      1.169227  1.147979       4.978289  
1 1 1 15 27 16 o 6.686604 2.207481  -0.6621752     0.6167340 -0.6971409     0.7108880 -0.5557798     1.240059  -2.478487      4.414962  
1 1 1 15 27 17 o 8.517851 2.402244  0.5538715      0.6047065 0.7864576      0.7025453 -0.1111002     1.187911  0.6697016      4.804488  
1 1 1 15 27 18 o 16.03551 2.632987  3.076688       0.8265961 3.060163       1.122323  3.096278       1.221993  0.1000309      5.265975  
1 1 1 15 27 19 o 27.44131 1.927721  8.207906       1.051325  7.337199       1.396702  9.346151       1.596930  -3.279718      3.855441  
1 1 1 15 28 0  o 18.43500 3.094017  3.922270       1.000817  2.264628       1.316380  6.192920       1.540675  0.000000       0.000000  
1 1 1 15 28 1  o 49.42131 1.102029  24.20483       1.080553  20.29409       1.456018  28.99924       1.612147  -8.801254      2.204058  
1 1 1 15 28 2  o 82.00095 1.014032  67.18018       1.645474  66.43928       2.169113  68.18449       2.525418  -1.051704      2.028064  
1 1 1 15 28 3  o 93.69221 1.068590  87.68485       1.979316  86.60096       2.601159  89.17566       3.050606  -1.356926      2.137180  
1 1 1 15 28 4  o 20.67367 1.868822  4.316639       0.7529750 4.412588       0.9681607 4.169758       1.197881  0.6037846      3.737644  
1 1 1 15 28 5  o 172.2598 1.776865  297.9423       6.121488  296.8140       8.619831  299.0904       8.694839  -0.6546021     3.553731  
1 1 1 15 28 6  o 94.89500 1.069108  90.12002       2.004269  89.55724       2.632606  90.89597       3.091243  -0.6760406     2.138215  
1 1 1 15 28 7  o 76.85765 1.078382  59.52373       1.586661  60.34600       1.983307  58.06185       2.644482  1.532265       2.156765  
1 1 1 15 28 8  o 35.93247 1.430201  12.87092       0.8877484 12.76592       1.022000  13.19368       1.791813  -0.4992332     2.860402  
1 1 1 15 28 9  o 88.29703 1.135919  78.27094       2.005463  80.39901       2.839285  76.15222       2.833031  2.404091       2.271838  
1 1 1 15 28 10 o 43.79889 1.076431  19.54961       0.8744897 20.06137       1.062623  18.47574       1.539300  1.871941       2.152863  
1 1 1 15 28 11 o 27.23693 1.407926  7.584069       0.7122017 7.753425       0.8657615 7.229557       1.252605  1.052803       2.815853  
1 1 1 15 28 12 o 28.04522 1.380329  7.959564       0.7095393 7.964644       0.8487380 7.947774       1.293035  0.1588631      2.760657  
1 1 1 15 28 13 o 49.95497 1.013239  25.36675       0.9604012 25.92563       1.191234  24.32884       1.623366  1.697334       2.026478  
1 1 1 15 28 14 o 50.28876 1.008755  25.51763       0.9513274 25.55707       1.159958  25.43657       1.662685  0.2619591      2.017510  
1 1 1 15 28 15 o 7.439268 2.326169  -0.3238447     0.6277648 -0.5805246     0.7488687 0.2829044      1.151369  -3.210518      4.652338  
1 1 1 15 28 16 o 26.63167 1.555887  7.076441       0.7390193 6.765811       0.8600284 7.953185       1.444870  -1.765121      3.111773  
1 1 1 15 28 17 o 16.07263 2.435473  2.828447       0.6954470 2.715404       0.8111463 3.142098       1.351139  -0.1527328     4.870945  
1 1 1 15 28 18 o 13.10385 2.890873  1.585402       0.8224178 0.7385408      0.9635510 3.857849       1.578395  -8.078310      5.781745  
1 1 1 15 28 19 o 8.037558 3.657759  0.000000       0.000000  ?              ?         -0.9757149E-01 1.294761  ?              ?         
1 1 1 15 29 0  o 45.16790 1.849335  20.70296       1.484358  20.78071       1.749793  20.50341       2.803276  0.000000       0.000000  
1 1 1 15 29 1  o 56.76554 0.9956716 32.04384       1.113598  31.07343       1.445072  33.46272       1.747375  -2.093334      1.991343  
1 1 1 15 29 2  o 63.85132 0.8967024 40.80357       1.145015  40.06062       1.613122  41.55801       1.625540  -1.172127      1.793405  
1 1 1 15 29 3  o 46.11927 1.088045  21.13244       0.9908408 22.31817       1.545938  20.30575       1.290833  2.170036       2.176090  
1 1 1 15 29 4  o 72.66727 0.9188766 52.87374       1.335128  53.18097       1.871012  52.55499       1.905780  0.4322891      1.837753  
1 1 1 15 29 5  o 27.60903 1.344362  7.627821       0.7349133 6.241946       1.009160  9.192736       1.072366  -5.338720      2.688724  
1 1 1 15 29 6  o 80.21787 0.9963343 64.30486       1.575821  63.51855       2.056348  65.42357       2.452798  -1.161606      1.992669  
1 1 1 15 29 7  o 56.61752 0.8749408 32.11823       0.9905473 31.90704       1.412110  32.32281       1.389846  -0.3688354     1.749882  
1 1 1 15 29 8  o 52.90283 1.038563  27.89367       1.074654  27.23906       1.374958  28.92137       1.722776  -1.553493      2.077125  
1 1 1 15 29 9  o 60.75082 0.9571667 36.77987       1.108314  36.25820       1.368609  37.77377       1.889092  -1.193108      1.914333  
1 1 1 15 29 10 o 30.81444 1.279857  9.636447       0.7454853 9.812493       0.9200194 9.299876       1.272105  0.8916397      2.559713  
1 1 1 15 29 11 o 39.41516 1.158742  16.10965       0.8423012 16.94169       1.026471  14.39450       1.473758  3.323521       2.317485  
1 1 1 15 29 12 o 40.55936 1.086597  16.69717       0.8437042 17.03463       1.056761  16.10390       1.401166  1.225227       2.173194  
1 1 1 15 29 13 o 63.78168 1.124482  40.72253       1.247439  40.36660       1.441193  41.78578       2.490863  -0.8050270     2.248965  
1 1 1 15 29 14 o 14.09160 2.562622  2.233772       0.7240688 2.502890       0.9261844 1.810760       1.161187  2.283195       5.125244  
1 1 1 15 29 15 o 8.048147 2.450658  0.5130323E-01  0.6443213 -0.2187008E-01 0.7556522 0.2462078      1.233266  -2.273449      4.901316  
1 1 1 15 29 16 o 9.635809 2.513352  0.1062997      0.6644388 -0.6599804     0.7790653 2.150835       1.272557  -7.727586      5.026704  
1 1 1 15 29 17 o 15.38643 3.042997  2.954049       0.9706258 2.951169       1.444469  2.956420       1.310616  -0.2112637     6.085994  
1 1 1 15 29 18 o 8.810415 2.668416  -0.2481449     0.9453975 -1.790015      1.306124  1.448623       1.370161  -4.723702      5.336832  
1 1 1 15 29 19 o 11.06266 3.697181  0.8282615      1.502146  0.6918768      1.583419  2.055438       4.749703  -2.817989      7.394362  
1 1 1 15 30 0  o 151.6445 1.970447  230.7219       5.970612  228.5100       8.351842  233.0339       8.538701  0.000000       0.000000  
1 1 1 15 30 1  o 49.76919 1.174809  24.47839       1.104818  23.81831       1.347534  25.83201       1.929703  -1.991531      2.349617  
1 1 1 15 30 2  o 28.86301 1.324116  8.345463       0.7640666 8.569617       1.099233  8.135922       1.062795  0.7488899      2.648232  
1 1 1 15 30 3  o 39.64145 1.068272  15.73298       0.8461406 14.78808       1.181428  16.72810       1.212421  -2.445091      2.136543  
1 1 1 15 30 4  o 99.82198 1.225283  99.76315       2.442566  97.27119       3.348148  102.5983       3.571256  -2.650681      2.450565  
1 1 1 15 30 5  o 65.84475 1.059182  43.33793       1.389485  44.63172       2.069897  42.27672       1.874637  1.774643       2.118365  
1 1 1 15 30 6  o 44.48912 1.104251  19.05935       0.9398627 17.33719       1.149351  22.53520       1.632849  -5.796864      2.208501  
1 1 1 15 30 7  o 27.01990 1.342612  7.354393       0.7205317 7.187488       1.077664  7.489323       0.9689546 -0.5729828     2.685223  
1 1 1 15 30 8  o 21.09967 1.883184  4.532806       0.7777780 4.675315       1.011096  4.326256       1.217262  0.8679829      3.766369  
1 1 1 15 30 9  o 20.30070 1.811689  3.962458       0.6956115 3.575736       0.8389100 4.813437       1.244443  -2.953079      3.623379  
1 1 1 15 30 10 o 34.85544 1.214455  12.05994       0.7907786 11.74545       0.9544318 12.74851       1.412257  -1.338867      2.428910  
1 1 1 15 30 11 o 30.29626 1.296868  9.073934       0.7504727 8.632542       0.9224643 9.937919       1.290598  -2.051691      2.593736  
1 1 1 15 30 12 o 34.80889 1.239624  11.59843       0.8214296 10.31150       0.9961636 14.33258       1.451991  -5.645912      2.479249  
1 1 1 15 30 13 o 28.36284 1.449630  7.700928       0.7655057 6.953960       0.9095101 9.515621       1.417616  -4.304306      2.899260  
1 1 1 15 30 14 o 17.50527 2.276935  3.322504       0.7366390 3.412960       0.9120618 3.152788       1.249295  1.342251       4.553870  
1 1 1 15 30 15 o 7.110845 2.304532  -0.4657632     0.6850640 -0.2967142     0.8095402 -0.8922080     1.285770  -1.035824      4.609064  
1 1 1 15 30 16 o 30.44515 1.404476  9.415676       0.7883886 9.100920       0.9409357 10.15728       1.444308  -1.262304      2.808951  
1 1 1 15 30 17 o 23.03709 2.009937  5.857435       0.8119254 5.916176       0.9519245 5.700621       1.555340  1.447609       4.019874  
1 1 1 15 30 18 o 18.06340 3.773827  4.662928       1.085197  4.644016       1.115908  4.992400       4.657673  4.919858       7.547654  
1 1 1 15 31 0  o 4.884269 2.468850  -1.835075      0.9726456 -2.367179      1.294838  -1.146031      1.473467  0.000000       0.000000  
1 1 1 15 31 1  o 62.63986 0.9874314 39.26993       1.223440  39.06733       1.612917  39.54445       1.877471  -0.3644638     1.974863  
1 1 1 15 31 2  o 87.78488 1.049517  77.42995       1.830754  79.25024       2.469941  75.21056       2.727303  2.318352       2.099034  
1 1 1 15 31 3  o 81.05431 1.018594  65.25919       1.617722  63.13171       2.072934  68.57321       2.587206  -3.322571      2.037188  
1 1 1 15 31 4  o 47.32294 1.205555  21.81294       1.038680  20.95386       1.224384  24.01829       1.961738  -3.176277      2.411109  
1 1 1 15 31 5  o 41.10469 1.149913  16.80761       0.9196799 16.35139       1.164857  17.56263       1.498528  -1.439827      2.299826  
1 1 1 15 31 6  o 59.28849 0.9350206 35.18253       1.103006  35.76575       1.651746  34.71312       1.481823  0.8719864      1.870041  
1 1 1 15 31 7  o 29.93365 1.486356  8.720499       0.8206939 9.791962       1.520494  8.280015       0.9749016 2.440641       2.972712  
1 1 1 15 31 8  o 50.52815 0.9855666 25.74623       0.9785687 24.91069       1.520222  26.33739       1.278712  -1.441589      1.971133  
1 1 1 15 31 9  o 42.60200 1.236336  17.86580       0.9929119 17.10078       1.204374  19.48899       1.754335  -2.695454      2.472671  
1 1 1 15 31 10 o 35.66005 1.259137  12.83005       0.8915423 12.84883       1.192159  12.80621       1.342926  0.9667587E-01  2.518275  
1 1 1 15 31 11 o 23.98503 1.717697  5.997548       0.7919290 6.465438       1.015612  5.271784       1.264892  2.577671       3.435394  
1 1 1 15 31 12 o 29.73639 1.673431  8.738340       0.9196492 8.292447       1.094688  9.807911       1.695428  -2.278746      3.346862  
1 1 1 15 31 13 o 36.44395 1.328557  13.57109       0.9605752 14.40715       1.305881  12.58539       1.417944  2.544140       2.657114  
1 1 1 15 31 14 o 35.12173 1.357153  12.57187       0.9523173 11.79954       1.322705  13.40310       1.372219  -2.256374      2.714306  
1 1 1 15 31 15 o 9.885940 2.573989  0.9558282      0.6940468 1.320042       0.8321058 0.1231603      1.258161  2.052406       5.147978  
1 1 1 15 31 16 o 13.18230 2.970758  1.775988       0.7671635 1.454880       0.8695500 2.903738       1.629577  -3.819927      5.941516  
1 1 1 15 31 17 o 10.32137 3.758035  1.188951       1.006852  1.188951       1.006852  ?              ?         ?              ?         
1 1 1 15 31 18 o 16.47712 2.930210  3.582994       0.9330167 3.390237       1.156024  3.943175       1.580240  -0.1844807     5.860420  
1 1 1 15 32 0  o 79.38380 1.357863  63.23526       2.145236  63.20539       2.912425  63.27069       3.171785  0.000000       0.000000  
1 1 1 15 32 1  o 61.48069 0.9888262 37.52313       1.195210  36.08105       1.540754  39.70216       1.893960  -2.921234      1.977652  
1 1 1 15 32 2  o 61.89804 0.9789707 38.21368       1.200974  37.14708       1.585109  39.65112       1.840153  -2.004684      1.957941  
1 1 1 15 32 3  o 72.99738 0.9933630 53.52990       1.434180  54.25153       1.899452  52.57293       2.187357  1.173325       1.986726  
1 1 1 15 32 4  o 77.37372 1.158420  60.32236       1.673215  60.76517       2.034134  59.39583       2.942354  0.9812851      2.316840  
1 1 1 15 32 5  o 18.72081 1.909472  3.520215       0.7117563 4.023357       1.048135  3.089650       0.9695973 2.478628       3.818944  
1 1 1 15 32 6  o 78.15671 0.9876323 61.23981       1.535053  61.47663       2.298381  61.04911       2.062509  0.2489319      1.975265  
1 1 1 15 32 7  o 64.18070 0.8730829 41.29815       1.120660  41.76841       1.591861  40.83607       1.577936  0.7248383      1.746166  
1 1 1 15 32 8  o 93.98113 0.9948503 88.62521       1.868707  87.30431       2.588463  90.06304       2.700605  -1.451736      1.989701  
1 1 1 15 32 9  o 28.72832 1.364648  8.397666       0.7380371 8.530860       0.9066921 8.136120       1.270549  0.7762375      2.729297  
1 1 1 15 32 10 o 46.43996 1.050378  21.58271       0.9269614 21.30682       1.141403  22.11718       1.588665  -0.7736702     2.100757  
1 1 1 15 32 11 o 33.01649 1.581912  11.57860       0.8878976 12.08214       1.029555  10.11708       1.754005  3.230785       3.163824  
1 1 1 15 32 12 o 33.54671 1.376688  11.34166       0.9111037 10.93410       1.185171  11.93053       1.424610  -1.390934      2.753376  
1 1 1 15 32 13 o 31.54700 1.456587  10.37037       0.8913622 11.13845       1.157158  9.249583       1.397824  3.122482       2.913174  
1 1 1 15 32 14 o 16.36921 2.792982  2.617485       0.7930952 2.243174       0.9005302 3.911440       1.674334  -4.102419      5.585963  
1 1 1 15 32 15 o 14.27713 2.882299  2.318501       0.7611393 2.241423       0.8577557 2.603987       1.650794  -0.3643122     5.764597  
1 1 1 15 32 16 o 25.25413 2.070187  6.968097       0.8580753 6.966962       0.9736088 6.972045       1.816061  1.278038       4.140374  
1 1 1 15 32 17 o 19.00864 2.471010  3.988348       0.8505640 3.521047       1.009343  5.133137       1.579805  -2.473988      4.942019  
1 1 1 15 32 18 f 11.62487 3.012426  1.375608       0.9012155 0.5298325      1.082176  3.289510       1.627909  -6.174517      6.024851  
1 1 1 15 33 0  o 7.915823 3.287712  0.6825774      0.9066954 1.200548       1.232289  0.7115182E-01  1.338850  0.000000       0.000000  
1 1 1 15 33 1  o 34.45660 1.217649  11.94615       0.8261734 12.08141       1.081214  11.75635       1.280734  0.4939461      2.435297  
1 1 1 15 33 2  o 75.74485 0.9392963 57.50711       1.422756  58.76513       2.018911  56.26598       2.005321  1.648499       1.878593  
1 1 1 15 33 3  o 60.42463 0.9134438 36.58196       1.103635  35.55248       1.544391  37.65632       1.577694  -1.737862      1.826888  
1 1 1 15 33 4  o 33.78520 1.153744  11.39974       0.7772608 12.23888       1.155100  10.70541       1.050724  2.256870       2.307488  
1 1 1 15 33 5  o 77.00529 0.9130141 59.43353       1.405960  58.59710       1.969298  60.30310       2.007921  -1.103958      1.826028  
1 1 1 15 33 6  o 69.96831 0.8935256 49.07943       1.250091  48.47384       1.745817  49.71664       1.790832  -0.8831100     1.787051  
1 1 1 15 33 7  o 63.72627 0.9325956 40.70476       1.179579  40.39391       1.571346  41.10609       1.785442  -0.5310822     1.865191  
1 1 1 15 33 8  o 30.73100 1.203253  9.519840       0.7370449 9.577501       1.003738  9.452372       1.085766  0.2216663      2.406507  
1 1 1 15 33 9  o 27.76209 1.616669  7.860166       0.7795815 7.891711       0.9032980 7.768085       1.543307  0.4379807      3.233337  
1 1 1 15 33 10 o 61.19505 1.191078  38.07682       1.378937  38.71739       1.702864  36.85672       2.350165  1.689053       2.382156  
1 1 1 15 33 11 o 16.03868 2.718580  2.830142       0.8367794 2.871553       1.045529  2.756347       1.395689  0.5683317      5.437161  
1 1 1 15 33 12 o 30.52522 1.554431  9.470434       0.8894216 9.377248       1.081739  9.664892       1.562644  -0.2369766     3.108862  
1 1 1 15 33 13 o 10.17835 2.717164  0.9107682      0.7430157 1.084139       0.9061124 0.5549134      1.298166  0.4137077      5.434328  
1 1 1 15 33 14 o 27.60878 1.794278  8.402660       0.8824348 8.984269       1.059605  7.086385       1.594051  3.960999       3.588556  
1 1 1 15 33 15 o 9.761833 2.854824  0.5558369      0.7879333 0.3932184      0.8994492 1.092373       1.633771  -3.025170      5.709649  
1 1 1 15 33 16 o 14.44617 2.846783  2.869665       0.9103445 3.477791       1.092926  1.491790       1.645123  5.692989       5.693566  
1 1 1 15 33 17 o 19.24526 2.959800  4.650103       1.076749  4.290857       1.352761  5.271217       1.778738  -1.168913      5.919599  
1 1 1 15 34 0  o 11.00898 3.546979  1.751487       1.001742  2.676126       1.317522  0.4845674      1.542220  0.000000       0.000000  
1 1 1 15 34 1  o 84.06761 1.108539  70.92843       1.863835  70.67860       2.631060  71.18008       2.640688  -0.2971497     2.217077  
1 1 1 15 34 2  o 112.4848 1.301105  126.9618       2.921239  124.1332       3.988685  130.2344       4.290296  -2.670784      2.602210  
1 1 1 15 34 3  o 64.43867 1.070467  41.27654       1.321288  43.00717       2.235073  40.34682       1.638189  1.997154       2.140934  
1 1 1 15 34 4  o 37.04398 1.125027  13.66849       0.8211863 14.39840       1.290264  13.17152       1.064651  1.627396       2.250055  
1 1 1 15 34 5  o 10.37795 2.491555  1.003138       0.6467008 0.4266818      0.9918550 1.429421       0.8529318 -2.681440      4.983111  
1 1 1 15 34 6  o 13.08482 2.356927  1.878298       0.6501015 1.020093       0.9810255 2.550248       0.8680673 -5.027528      4.713854  
1 1 1 15 34 7  o 42.36526 1.019634  17.81647       0.8514181 19.34911       1.343302  16.78730       1.100768  2.978062       2.039268  
1 1 1 15 34 8  o 33.74213 1.180898  11.49694       0.7929808 11.30811       1.176084  11.65436       1.073774  -0.5386848     2.361795  
1 1 1 15 34 9  o 41.58736 1.157578  17.48673       0.9041988 17.58597       1.105291  17.28594       1.572171  0.4749031      2.315155  
1 1 1 15 34 10 f 13.10870 2.676343  1.806699       0.7126440 1.703456       0.8764533 2.008125       1.224213  -1.073720      5.352687  
1 1 1 15 34 11 o 34.77177 1.307410  12.14002       0.8776800 11.82198       1.099132  12.69964       1.458019  -1.129921      2.614820  
1 1 1 15 34 12 o 23.19457 2.206274  5.869026       0.8356944 6.027123       0.9636308 5.389385       1.678442  2.222586       4.412547  
1 1 1 15 34 13 o 21.12938 1.946367  4.693168       0.7680728 4.775630       0.9389353 4.526377       1.335356  0.8853149      3.892734  
1 1 1 15 34 14 o 14.07819 2.680845  2.419216       0.7735276 2.730532       0.9609575 1.846229       1.303693  2.974479       5.361690  
1 1 1 15 34 15 o 33.20293 1.635769  11.90846       0.9435660 12.18674       1.102387  11.14598       1.824757  2.445908       3.271537  
1 1 1 15 34 16 o 25.58682 1.985783  7.320978       0.9643015 7.496205       1.204576  7.008311       1.609072  1.721874       3.971565  
1 1 1 15 34 17 o 9.633558 2.933563  0.6327565      1.019035  -0.9873139E-02 1.316610  1.592902       1.609331  -2.936645      5.867126  
1 1 1 15 35 0  o 16.18595 3.300484  3.248928       0.9089695 3.316319       1.157002  3.140269       1.469153  0.000000       0.000000  
1 1 1 15 35 1  o 100.6433 1.382732  101.7024       2.686760  101.1332       3.379893  102.6795       4.428421  -0.6071243     2.765465  
1 1 1 15 35 2  o 72.86601 0.9313005 53.24802       1.357189  53.20579       1.914625  53.29065       1.924119  -0.5718231E-01 1.862601  
1 1 1 15 35 3  o 107.1669 1.088207  115.2845       2.331748  117.5108       3.346262  113.1832       3.250982  2.005882       2.176414  
1 1 1 15 35 4  o 56.59341 0.8893265 32.05354       1.004730  31.06250       1.371861  33.20014       1.475610  -1.876461      1.778653  
1 1 1 15 35 5  o 23.96788 1.383449  5.821692       0.6589505 5.101607       0.9359783 6.529353       0.9278682 -2.980225      2.766899  
1 1 1 15 35 6  o 37.39429 1.006612  14.07313       0.7495802 14.24276       1.017451  13.87178       1.108529  0.5127983      2.013224  
1 1 1 15 35 7  o 21.63459 1.505973  4.734476       0.6506666 5.108742       0.9417530 4.392639       0.9000276 1.641726       3.011946  
1 1 1 15 35 8  o 40.60292 1.009648  16.58546       0.8196771 16.53226       1.145305  16.64132       1.173610  -0.1282501     2.019295  
1 1 1 15 35 9  o 8.149070 2.513226  -0.8602594E-01 0.7529788 0.3808347      0.8596351 -1.625016      1.560768  0.4576211      5.026452  
1 1 1 15 35 10 o 41.69936 1.416515  18.15091       0.9973139 18.59959       1.146718  16.75774       2.020653  2.545559       2.833031  
1 1 1 15 35 11 o 41.00899 1.374140  16.78271       0.9883549 16.39625       1.143664  17.92283       1.964342  -1.455738      2.748280  
1 1 1 15 35 12 o 13.54494 2.721688  1.991112       0.7388080 1.877472       0.9013548 2.223775       1.289718  -1.017678      5.443376  
1 1 1 15 35 13 f 15.36002 2.802069  2.821955       0.8012209 2.934764       0.9249256 2.482810       1.603716  1.983132       5.604138  
1 1 1 15 35 14 o 15.33159 2.580964  2.459040       0.7624432 1.715431       0.9331483 3.952493       1.322435  -6.282249      5.161927  
1 1 1 15 35 15 o 9.088446 2.805743  0.2901185      0.8950055 0.1723092      1.073823  0.5581667      1.619755  -1.882060      5.611485  
1 1 1 15 35 16 o 9.975536 2.865513  0.8018171      0.9714723 1.588020       1.248892  -0.4027578     1.545875  2.939672       5.731025  
1 1 1 15 36 0  o 60.22144 1.774760  36.77579       1.944785  36.38747       3.553624  36.94181       2.323637  0.000000       0.000000  
1 1 1 15 36 1  o 12.93472 2.451569  1.557914       0.7200990 0.4556759      0.9551884 3.009149       1.096024  -7.909255      4.903138  
1 1 1 15 36 2  o 64.09541 0.9805023 41.11520       1.245715  40.37227       1.648181  42.10506       1.902470  -1.317905      1.961005  
1 1 1 15 36 3  o 65.69127 0.9755200 43.30095       1.270570  43.09615       1.687614  43.56895       1.930494  -0.3234787     1.951040  
1 1 1 15 36 4  o 33.93823 1.147159  11.55460       0.7729182 11.26965       1.026836  11.92710       1.174036  -0.9379311     2.294318  
1 1 1 15 36 5  o 41.36188 1.052023  17.28617       0.8656796 18.23205       1.186762  16.21053       1.265543  2.458923       2.104046  
1 1 1 15 36 6  o 37.36030 1.152637  14.07281       0.8611296 14.26535       1.213484  13.87748       1.222206  0.5212593      2.305275  
1 1 1 15 36 7  o 29.81777 1.296624  8.989653       0.7719040 9.155729       1.066744  8.807117       1.118359  0.5987511      2.593249  
1 1 1 15 36 8  o 35.21880 1.269778  13.00857       0.8606015 15.54958       1.155325  9.841033       1.289917  8.143631       2.539556  
1 1 1 15 36 9  o 29.66422 1.386207  8.856380       0.8037186 9.315554       1.294331  8.568222       1.025350  1.152493       2.772414  
1 1 1 15 36 10 o 11.38107 2.842262  1.260969       0.8068547 1.185789       1.096305  1.349816       1.191796  -0.5957708     5.684525  
1 1 1 15 36 11 o 43.51840 1.159302  18.92955       0.9547842 18.37311       1.166428  20.05947       1.662142  -1.726292      2.318603  
1 1 1 15 36 12 o 22.19741 1.941895  5.313693       0.7859262 5.570555       0.9515620 4.762396       1.394058  2.193295       3.883789  
1 1 1 15 36 13 f 10.75715 2.929024  1.004272       0.7647386 0.8545504      0.8638524 1.546729       1.644293  -2.757211      5.858047  
1 1 1 15 36 14 o 10.65930 2.864862  1.197919       0.8287776 1.433475       0.9695364 0.5587317      1.597098  1.001581       5.729725  
1 1 1 15 36 15 o 22.51049 2.663997  6.476207       1.042937  7.291128       1.281951  4.881038       1.793565  6.868235       5.327995  
1 1 1 15 36 16 o 30.91163 1.906443  10.83150       1.175288  10.83225       1.606673  10.83063       1.723709  0.2923717      3.812886  
1 1 1 15 37 0  o 14.88415 3.187999  2.689171       0.9208351 1.401962       1.193437  4.582923       1.447560  0.000000       0.000000  
1 1 1 15 37 1  o 101.2028 1.144239  103.0597       2.292824  103.4801       3.501422  102.7441       3.033722  0.2662811      2.288478  
1 1 1 15 37 2  o 54.53780 1.045476  29.85525       1.116112  30.19098       1.774677  29.63556       1.435553  0.4444275      2.090953  
1 1 1 15 37 3  o 48.34645 0.9703797 23.48764       0.9382777 23.36255       1.323304  23.61411       1.330576  -0.2588577     1.940759  
1 1 1 15 37 4  o 16.54797 2.119451  2.856472       0.6720899 1.885386       0.9129936 4.005199       0.9929954 -6.574465      4.238901  
1 1 1 15 37 5  o 38.91634 1.194977  15.27932       0.8955168 15.28838       1.124405  15.26360       1.480871  0.1223564      2.389953  
1 1 1 15 37 6  o 19.51405 1.803376  3.815106       0.6968073 4.647362       1.062574  3.187166       0.9229749 3.687410       3.606752  
1 1 1 15 37 7  o 64.63255 1.001166  42.03258       1.278860  41.90222       1.683162  42.21062       1.966990  -0.1709747     2.002331  
1 1 1 15 37 8  o 20.18654 1.681164  4.179968       0.6743980 4.751230       0.9595505 3.622330       0.9480392 2.790648       3.362328  
1 1 1 15 37 9  o 39.91896 1.204684  16.48795       0.9301285 14.50529       1.464610  17.82806       1.204119  -4.252102      2.409368  
1 1 1 15 37 10 o 27.80747 1.526653  7.308063       0.8100303 5.994310       0.9816310 10.11183       1.434043  -7.152973      3.053305  
1 1 1 15 37 11 o 20.33360 1.961527  4.237567       0.7580042 4.090475       0.9302022 4.528290       1.307742  -0.7970734     3.923054  
1 1 1 15 37 12 o 11.84941 2.863226  1.586976       0.8666282 2.120625       1.080302  0.6235440      1.451535  3.300264       5.726453  
1 1 1 15 37 13 o 26.31071 1.718573  7.334473       0.8479928 7.342206       1.036889  7.318852       1.473570  0.5669708      3.437147  
1 1 1 15 37 14 o 12.93895 3.180620  1.894729       0.9752976 1.267587       1.193964  3.152340       1.690758  -4.454209      6.361240  
1 1 1 15 37 15 o 13.22076 3.203269  2.291176       1.022337  1.987656       1.389720  2.649164       1.509274  -1.559815      6.406537  
1 1 1 15 38 0  o 26.43065 2.571692  7.295251       1.127683  7.130854       1.312780  7.758056       2.202641  0.000000       0.000000  
1 1 1 15 38 1  o 67.86391 0.9348496 46.29306       1.268762  45.80291       1.797755  46.77948       1.790866  -0.7208328     1.869699  
1 1 1 15 38 2  o 70.30568 0.9405597 49.68518       1.322410  50.58606       1.883590  48.80953       1.857032  1.258095       1.881119  
1 1 1 15 38 3  o 52.34869 0.9446183 27.54852       0.9887189 27.39589       1.380499  27.70925       1.416724  -0.2919579     1.889237  
1 1 1 15 38 4  o 21.95394 1.789073  5.011438       0.7688783 4.109917       1.133182  5.780574       1.046679  -3.836924      3.578146  
1 1 1 15 38 5  o 56.34689 1.144863  32.02955       1.289365  33.19308       1.818022  30.85207       1.828903  2.080097       2.289726  
1 1 1 15 38 6  o 35.12337 1.218310  12.45473       0.8546708 12.28186       1.175092  12.64889       1.245338  -0.5013084     2.436619  
1 1 1 15 38 7  o 15.47690 2.258571  2.575224       0.6761066 2.714675       0.9711488 2.444062       0.9418426 0.8547297      4.517142  
1 1 1 15 38 8  o 36.60740 1.164821  13.57922       0.8462778 13.29651       1.270671  13.80458       1.134506  -0.7396164     2.329641  
1 1 1 15 38 9  f 23.39157 1.487644  5.585220       0.6925237 6.386500       1.005139  4.861133       0.9554982 3.233242       2.975288  
1 1 1 15 38 10 o 70.47837 1.068666  50.51731       1.447497  51.09397       1.818202  49.51928       2.391980  1.356354       2.137331  
1 1 1 15 38 11 o 15.67519 2.692148  2.715894       0.7992934 2.437169       0.9756351 3.284818       1.393881  -1.983397      5.384296  
1 1 1 15 38 12 o 32.64705 1.553294  10.93312       1.004246  9.592762       1.314289  12.81359       1.556731  -4.681061      3.106588  
1 1 1 15 38 13 o 9.597996 2.837629  0.6117558      0.8330885 0.5773763      0.9742120 0.7053075      1.607051  -1.590836      5.675258  
1 1 1 15 38 14 o 16.60176 4.428265  0.000000       0.000000  ?              ?         3.635099       1.497893  ?              ?         
1 1 1 15 38 15 o 26.89320 2.643895  8.891714       1.345728  9.725327       2.315928  8.466762       1.653533  0.8987999E-01  5.287791  
1 1 1 15 39 0  o 25.57104 2.089975  6.649794       1.024001  5.765663       1.300462  8.092442       1.661191  0.000000       0.000000  
1 1 1 15 39 1  o 7.909958 2.372212  0.6435911E-01  0.6531723 -0.5263086E-01 0.9238154 0.1813034      0.9236349 -0.4984126     4.744423  
1 1 1 15 39 2  o 23.09492 1.628803  5.435956       0.7454417 5.548184       0.9956163 5.292778       1.124546  0.5979843      3.257606  
1 1 1 15 39 3  o 60.85706 0.9443406 37.15639       1.146313  36.11301       1.556286  38.39380       1.694823  -1.844662      1.888681  
1 1 1 15 39 4  o 56.40417 1.010961  31.82301       1.123020  30.88227       1.456219  33.20356       1.764072  -1.984249      2.021921  
1 1 1 15 39 5  o 41.32615 1.010409  17.19910       0.8337585 17.41086       1.217608  17.01215       1.144051  0.4624405      2.020817  
1 1 1 15 39 6  o 15.16398 2.555701  2.152197       0.7833831 1.096606       0.9655388 4.185635       1.340101  -9.079334      5.111403  
1 1 1 15 39 7  o 50.38158 1.019126  25.68022       1.022432  24.61454       1.498639  26.60816       1.398432  -2.008453      2.038252  
1 1 1 15 39 8  o 17.93645 2.201263  3.383279       0.7465732 3.615883       1.231903  3.248260       0.9385663 0.4776096      4.402526  
1 1 1 15 39 9  o 63.34512 1.033126  40.43518       1.285647  41.55735       2.029079  39.68249       1.661791  1.327595       2.066252  
1 1 1 15 39 10 o 12.32665 2.783604  1.626782       0.7565123 2.094105       1.240720  1.350222       0.9544641 2.332886       5.567208  
1 1 1 15 39 11 o 9.326664 2.662468  0.2476691      0.7421367 -0.3139653     0.8872906 1.555518       1.353997  -5.101660      5.324936  
1 1 1 15 39 12 o 7.208179 2.428607  -1.751943      0.8718407 -2.611133      1.055122  0.9721206E-01  1.547905  -4.339956      4.857213  
1 1 1 15 39 13 o 9.092946 2.907584  -0.1331394     1.138658  0.3509728      1.621755  -0.6038187     1.599096  1.239197       5.815167  
1 1 1 15 39 14 o 15.31672 3.069786  3.102076       1.107993  4.824582       1.571322  1.398653       1.562594  8.273698       6.139571  
1 1 1 15 40 0  o 10.02291 3.727828  1.527947       0.9552931 1.530989       1.183811  1.522267       1.617495  0.000000       0.000000  
1 1 1 15 40 1  o 18.02648 2.043002  3.378158       0.7115506 2.746398       0.9764023 4.093643       1.039090  -3.955191      4.086003  
1 1 1 15 40 2  o 45.26031 1.086775  20.56250       0.9736180 20.02485       1.280499  21.29928       1.498976  -1.348320      2.173549  
1 1 1 15 40 3  o 35.69234 1.206029  12.66697       0.8501729 11.60790       1.102158  14.22299       1.335940  -3.586788      2.412058  
1 1 1 15 40 4  o 27.65240 1.467084  7.843625       0.8040472 8.454196       1.096342  7.133008       1.182758  2.425163       2.934169  
1 1 1 15 40 5  o 38.00535 1.106834  14.59715       0.8384867 16.14904       1.196861  13.10134       1.175039  4.002735       2.213667  
1 1 1 15 40 6  o 17.12562 1.986538  3.026976       0.6497973 4.105734       0.9860970 2.199037       0.8638865 5.728737       3.973076  
1 1 1 15 40 7  o 8.167035 2.405998  0.1193628      0.6722131 0.6374274      0.9741712 -0.3515279     0.9287597 2.260525       4.811996  
1 1 1 15 40 8  f 20.77754 1.910850  4.379539       0.7668170 4.949403       1.290660  4.068642       0.9533132 1.860098       3.821700  
1 1 1 15 40 9  o 14.81449 2.508822  2.437264       0.7376312 3.022717       1.089994  1.942620       1.001901  3.358156       5.017644  
1 1 1 15 40 10 o 39.35189 1.114370  15.79761       0.8759009 14.90799       1.203809  16.79843       1.276836  -2.349098      2.228740  
1 1 1 15 40 11 o 39.37454 1.553505  16.86670       1.166846  19.11481       1.515864  13.59764       1.827945  7.343399       3.107010  
1 1 1 15 40 12 o 22.41073 3.124104  6.876282       1.129417  7.381016       1.287611  5.192451       2.351814  7.567036       6.248209  
1 1 1 15 40 13 o 19.46602 3.183948  5.325734       1.199080  5.923568       1.446942  4.015119       2.142389  6.596151       6.367897  
1 1 1 15 40 14 o 15.22416 3.032826  3.322420       1.089148  4.947350       1.521033  1.612523       1.560294  8.208649       6.065651  
1 1 1 15 41 0  o 32.71996 2.361753  11.67992       1.269327  12.18973       1.461567  10.11531       2.560463  0.000000       0.000000  
1 1 1 15 41 1  o 9.672821 2.668462  0.6540703      0.7524506 0.3976323      1.094489  0.8839027      1.036157  -1.008716      5.336924  
1 1 1 15 41 2  o 9.406354 2.607614  0.6094176      0.7156969 0.6851636      0.9979097 0.5291887      1.027014  0.2942104      5.215228  
1 1 1 15 41 3  o 52.42382 0.9807857 27.69054       1.028260  27.34045       1.444232  28.05044       1.464335  -0.6715813     1.961571  
1 1 1 15 41 4  o 9.685320 2.592925  0.7065805      0.7140567 0.2208752      1.042049  1.136536       0.9804234 -2.150537      5.185851  
1 1 1 15 41 5  f 39.70227 1.079693  15.93734       0.8567858 16.49839       1.238677  15.42268       1.186371  1.333725       2.159386  
1 1 1 15 41 6  o 19.04433 1.910751  3.863089       0.6914291 2.954473       0.9824023 4.754977       0.9733179 -4.968014      3.821501  
1 1 1 15 41 7  o 7.112584 2.223750  -0.1968851     0.6237702 -0.2865536     0.8689916 -0.1015746     0.8959129 -0.4630594     4.447501  
1 1 1 15 41 8  f 65.68857 1.048393  43.53318       1.359315  45.35896       2.117520  42.25345       1.772811  2.191345       2.096786  
1 1 1 15 41 9  o 40.04725 1.101508  16.38664       0.8822200 16.40262       1.243173  16.37043       1.252170  0.4646301E-01  2.203016  
1 1 1 15 41 10 o 14.27302 3.259217  2.209006       0.9322433 1.889217       1.061843  3.284423       1.947225  -3.155926      6.518435  
1 1 1 15 41 11 o 12.82326 2.912883  2.092961       0.8540034 2.378891       0.9970463 1.305379       1.654751  2.734020       5.825766  
1 1 1 15 41 12 o 9.681791 3.144518  -0.1666948E-01 1.130628  -0.1954054     1.269928  0.6665970      2.482951  -3.230462      6.289035  
1 1 1 15 41 13 o 9.671227 2.903507  0.7304899      1.016447  1.359913       1.367520  -0.4649631E-01 1.519390  2.029409       5.807014  
1 1 1 15 42 0  o 115.9375 1.671267  135.8589       3.859879  131.8677       5.227610  140.6431       5.723407  0.000000       0.000000  
1 1 1 15 42 1  o 57.81022 0.9913402 33.69198       1.145445  35.44920       1.641121  32.02279       1.599490  2.950432       1.982680  
1 1 1 15 42 2  o 44.02548 1.293167  19.65613       1.119689  19.46891       1.454091  19.92884       1.754966  -0.3888893     2.586335  
1 1 1 15 42 3  o 24.83627 1.576626  6.333889       0.7803084 5.658053       1.090703  7.042460       1.116805  -2.771582      3.153252  
1 1 1 15 42 4  o 41.28830 1.099187  17.12126       0.9039930 19.24196       1.346623  15.38158       1.219663  4.624451       2.198375  
1 1 1 15 42 5  o 12.14640 2.526320  1.571545       0.7094406 0.7128990      1.016883  2.385799       0.9902481 -5.126228      5.052640  
1 1 1 15 42 6  o 19.48720 1.837022  3.993227       0.7040028 3.480758       1.047927  4.414765       0.9504206 -2.463942      3.674044  
1 1 1 15 42 7  o 19.54838 1.898562  4.035402       0.7402516 3.826100       1.066004  4.230328       1.028738  -1.071026      3.797124  
1 1 1 15 42 8  o 15.36269 2.411040  2.652190       0.7210373 3.190901       1.083014  2.223304       0.9663337 2.900528       4.822081  
1 1 1 15 42 9  o 18.91636 2.769660  4.343260       0.9334850 4.607056       1.106979  3.693924       1.736759  3.721695       5.539321  
1 1 1 15 42 10 o 21.14172 3.335216  6.790702       1.027060  7.174237       1.094057  3.943794       2.980746  10.03139       6.670433  
1 1 1 15 42 11 o 19.11631 3.066775  4.638106       1.104155  4.582465       1.364994  4.743433       1.878022  0.9995155      6.133549  
1 1 1 15 42 12 o 8.978887 2.754518  -0.1287255     1.024759  1.342135       1.405656  -1.797232      1.497122  3.941020       5.509037  
1 1 1 15 43 0  o 11.77301 3.150033  2.024839       0.9760308 3.384097       1.252129  -0.8000433E-01 1.558145  0.000000       0.000000  
1 1 1 15 43 1  o 29.90171 1.882512  9.456097       0.9972953 9.705124       1.176727  8.821157       1.878961  1.934607       3.765023  
1 1 1 15 43 2  o 19.23698 2.030345  3.842605       0.7792934 3.580534       1.059478  4.151526       1.150289  -1.415680      4.060690  
1 1 1 15 43 3  o 50.14793 1.129089  25.36785       1.129143  27.50015       1.675611  23.59412       1.528243  3.828175       2.258178  
1 1 1 15 43 4  o 37.55047 1.241588  14.17764       0.9261344 13.00191       1.225651  15.74237       1.413940  -3.558273      2.483175  
1 1 1 15 43 5  o 21.73898 1.830107  4.920392       0.7944338 5.075400       1.105482  4.754850       1.142426  0.7656612      3.660213  
1 1 1 15 43 6  o 14.90333 2.421590  2.563524       0.7703898 3.858615       1.071396  1.177063       1.108545  8.257195       4.843180  
1 1 1 15 43 7  o 9.969208 2.728710  0.8208225      0.7898093 1.352693       1.170889  0.3767811      1.069854  2.494187       5.457421  
1 1 1 15 43 8  o 39.50153 1.245380  15.90790       0.9737884 15.02142       1.274894  17.14941       1.508744  -2.496677      2.490760  
1 1 1 15 43 9  o 23.38028 2.477687  6.121520       0.9299907 6.022508       1.057296  6.460002       1.954887  1.044880       4.955373  
1 1 1 15 43 10 o 11.05596 2.935798  1.285900       0.9962336 2.205187       1.257528  -0.2634023     1.632525  4.227139       5.871597  
1 1 1 15 43 11 f 10.34691 2.959568  0.9074048      1.009174  1.778628       1.390836  -0.6125178E-01 1.466547  3.205311       5.919136  
1 1 1 15 43 12 o 7.864070 2.573449  -0.3396250     0.9633648 -0.1265945     1.361471  -0.5532402     1.363338  0.5125146      5.146897  
1 1 1 15 44 0  o 36.58153 1.766642  13.58762       1.264173  12.60143       1.639957  15.03181       1.984549  0.000000       0.000000  
1 1 1 15 44 1  o 31.27472 1.587818  9.986481       0.9633812 10.29504       1.574651  9.801892       1.217916  0.5741482      3.175636  
1 1 1 15 44 2  o 46.77736 1.109245  22.28514       1.032611  20.54848       1.494699  23.87078       1.428232  -3.579983      2.218489  
1 1 1 15 44 3  o 20.48138 1.818385  4.350045       0.7400512 5.086693       1.087365  3.714386       1.010083  3.285931       3.636770  
1 1 1 15 44 4  o 42.38444 1.140977  18.30378       0.9659790 19.09753       1.410012  17.60175       1.326051  1.709862       2.281953  
1 1 1 15 44 5  o 22.43143 1.776352  5.368200       0.7775623 6.705872       1.105548  4.058748       1.093824  5.887936       3.552705  
1 1 1 15 44 6  f 33.99239 1.509788  12.06875       0.9808327 12.09173       1.222447  12.02721       1.643347  0.5211945      3.019575  
1 1 1 15 44 7  o 18.58780 2.497528  3.996614       0.8986390 3.357376       1.320071  4.548697       1.226785  -3.671532      4.995056  
1 1 1 15 44 8  o 9.105158 2.773242  0.3226999      0.8397776 0.2208056      0.9943357 0.5761899      1.568334  -2.033969      5.546484  
1 1 1 15 44 9  o 12.01464 3.142828  1.779892       0.9967209 1.989107       1.214270  1.347782       1.745087  1.159858       6.285655  
1 1 1 15 44 10 o 8.275166 2.690608  -0.4360841     1.017731  -0.8012323     1.362642  0.2457722E-01  1.530517  -1.432982      5.381216  
1 1 1 15 44 11 o 11.59054 3.129192  1.819846       1.033077  1.280952       1.473478  2.340852       1.448817  -2.230313      6.258383  
1 1 1 15 45 0  o 40.97357 1.958411  17.14625       1.462280  16.54646       1.743000  18.57162       2.686944  0.000000       0.000000  
1 1 1 15 45 1  f 10.49561 2.722010  1.099351       0.7486812 0.9955258      1.033710  1.213903       1.085800  -0.6674166     5.444021  
1 1 1 15 45 2  o 9.076120 2.594448  0.4476980      0.7587402 1.038827       1.079242  -0.1299944     1.066906  2.534031       5.188895  
1 1 1 15 45 3  o 13.75578 2.702122  2.221138       0.7698895 2.323480       1.047444  2.100877       1.135449  0.7712784      5.404244  
1 1 1 15 45 4  o 23.24928 2.033117  6.002825       0.8953553 5.178297       1.454332  6.506085       1.136206  -3.282209      4.066234  
1 1 1 15 45 5  o 36.70639 1.451993  14.02895       1.060558  13.78937       1.571947  14.22913       1.436851  -0.7294769     2.903986  
1 1 1 15 45 6  o 12.04174 3.188646  1.555008       0.9153112 1.478079       1.035304  1.830369       1.958725  -1.420605      6.377292  
1 1 1 15 45 7  o 20.46109 2.709589  4.267622       0.9490470 3.505237       1.083523  6.779856       1.966894  -5.897755      5.419178  
1 1 1 15 45 8  o 33.34612 1.954208  12.64451       1.193760  13.51806       1.465869  10.92439       2.056980  4.908308       3.908415  
1 1 1 15 45 9  o 21.31606 2.595589  5.424824       1.056252  7.152974       1.548476  3.921015       1.444474  7.617195       5.191178  
1 1 1 15 45 10 o 15.11685 3.257510  3.341260       1.075265  3.473286       1.486700  3.196443       1.557047  0.9006214      6.515020  
1 1 1 15 46 0  o 28.80030 2.013654  8.560276       1.077972  8.002521       1.310071  9.729624       1.896902  0.000000       0.000000  
1 1 1 15 46 1  o 19.79131 2.059192  4.230806       0.8149594 4.134490       1.143188  4.330335       1.162098  -0.4686737     4.118385  
1 1 1 15 46 2  o 20.61730 2.247577  4.875854       0.8613113 5.889272       1.157387  3.617985       1.289441  5.987429       4.495154  
1 1 1 15 46 3  o 26.48456 1.702878  7.554885       0.8809600 8.826180       1.205794  6.099338       1.290218  5.244850       3.405755  
1 1 1 15 46 4  o 39.51347 1.222998  16.25204       0.9576947 17.73877       1.314177  14.56833       1.398525  4.090240       2.445997  
1 1 1 15 46 5  o 15.78144 2.981252  3.047339       0.8893809 3.024974       1.036461  3.109796       1.732024  0.8746576      5.962503  
1 1 1 15 46 6  o 8.319728 2.703492  -0.3414445     0.9757213 -0.2258179     1.184178  -0.5859335     1.721940  -0.9871936     5.406983  
1 1 1 15 46 7  o 30.25693 1.990968  10.21469       1.186256  10.91783       1.590329  9.332776       1.781067  2.972855       3.981935  
1 1 1 15 46 8  o 29.90361 2.094347  10.18110       1.187945  13.75072       1.698873  6.765746       1.661758  11.60684       4.188695  
1 1 1 15 46 9  o 9.626589 2.943676  0.7635513      1.046051  0.9783936      1.430498  0.5166397      1.533551  0.5766859      5.887351  
1 1 1 15 47 0  o 19.81575 4.301281  5.377212       1.294159  5.271317       1.448814  5.795294       2.878776  0.000000       0.000000  
1 1 1 15 47 1  o 11.47377 2.939121  1.493330       0.8637806 1.547851       1.124183  1.414750       1.349626  0.1664429      5.878242  
1 1 1 15 47 2  o 9.739786 2.824026  0.5660096      0.8767004 0.6070328E-01  1.125522  1.345583       1.397993  -3.082894      5.648052  
1 1 1 15 47 3  o 11.93869 2.793145  1.710947       0.7915449 2.011802       1.035488  1.288014       1.227731  2.012825       5.586290  
1 1 1 15 47 4  o 12.61065 3.314749  1.651872       1.032765  1.069548       1.217316  3.147596       1.950953  -4.628316      6.629498  
1 1 1 15 47 5  o 9.308227 2.986360  0.1080375      0.9046814 0.2205561E-01  0.9863498 0.5637023      2.270650  -3.419868      5.972720  
1 1 1 15 47 6  o 31.92173 2.454266  11.75546       1.382047  11.58660       1.621660  12.20361       2.641793  1.443968       4.908532  
1 1 1 15 47 7  o 35.20803 2.733177  15.11439       1.897591  16.44219       2.588519  13.57185       2.789991  4.619717       5.466355  
1 1 1 15 47 8  o 17.85579 3.539331  5.270407       1.524754  7.390720       2.055354  2.675411       2.273814  10.10927       7.078663  
1 1 1 15 48 0  o 10.25949 4.318404  -0.4721116     1.290102  -1.707283      1.423768  5.195062       3.049711  0.000000       0.000000  
1 1 1 15 48 1  o 27.42449 1.917085  8.237710       1.050589  8.365244       1.521682  8.121548       1.452263  0.3214474      3.834169  
1 1 1 15 48 2  o 24.20410 2.289028  6.641456       1.097085  6.791708       1.674964  6.528563       1.451866  0.7330894E-01  4.578056  
1 1 1 15 48 3  o 9.563843 3.031702  0.1694553      1.179201  0.3034392      1.492120  -0.5342425E-01 1.924478  -0.4039631     6.063404  
1 1 1 15 48 4  f 16.22657 3.314423  3.563916       1.136115  3.090859       1.532273  4.141533       1.693166  -2.351115      6.628845  
1 1 1 15 48 5  f 10.41097 3.184437  0.5547538      1.223055  1.666364       1.899414  -0.2325999     1.598557  3.141697       6.368873  
1 1 1 15 48 6  o 8.575394 3.965907  0.000000       0.000000  ?              ?         -0.3019567     1.607032  ?              ?         
1 1 1 15 48 7  o 11.45152 3.382295  1.739884       1.272491  1.774286       2.089705  1.719611       1.604208  0.2226114      6.764591  
1 1 1 15 49 0  o 7.978456 3.685506  0.4863570      1.449054  1.186301       1.788681  -0.8502043     2.471700  0.000000       0.000000  
1 1 1 15 49 1  o 11.84909 3.502575  1.275503       1.311840  0.5493113      1.593936  2.800098       2.309523  -3.997482      7.005150  
1 1 1 15 49 2  o 19.11931 3.393969  5.318034       1.316813  5.881855       1.570920  3.985690       2.414859  6.602985       6.787938  
1 1 1 15 49 3  o 11.29219 3.419859  1.069558       1.422569  2.079829       2.020956  0.7735827E-01  2.002800  2.694774       6.839717  
1 1 1 15 49 4  o 12.39898 3.480481  1.722754       1.547603  3.985726       2.054593  -1.245022      2.352891  6.540660       6.960962  
1 1 1 15 49 5  o 17.51589 5.478666  5.132388       2.129075  5.132388       2.129075  ?              ?         ?              ?         
1 1 1 15 50 0  o 11.16884 6.492325  2.800510       2.339483  2.800510       2.339483  2.800510       2.339483  0.000000       0.000000  
1 1 1 15 50 1  f 12.00524 3.768113  2.027306       1.810327  1.668357       2.616327  2.357020       2.507515  -0.7234564     7.536227  
1 1 1 15 50 2  o 12.11656 5.343011  0.000000       0.000000  ?              ?         2.155410       2.522343  ?              ?         
1 1 1 15 50 3  o 21.41129 3.535767  7.109450       1.621774  9.778295       2.287854  4.413929       2.299258  11.50941       7.071534  
1 1 1 16 0  0  o 372.4337 6.334499  1390.571       47.10765  1412.904       67.67104  1369.573       65.61699  0.000000       0.000000  
1 1 1 16 0  1  o 829.5079 12.33332  6902.871       190.5796  6813.850       230.4057  7095.719       339.1194  0.000000       0.000000  
1 1 1 16 0  2  o 257.5157 3.812230  662.0003       18.41568  657.0602       22.42591  672.2293       32.27023  0.000000       0.000000  
1 1 1 16 0  3  o 248.1785 3.000621  614.8284       14.84801  644.7037       21.94282  589.5954       20.16604  0.000000       0.000000  
1 1 1 16 0  4  f 35.15587 1.018772  12.23223       0.7077985 13.99518       1.089275  10.94391       0.9311727 0.000000       0.000000  
1 1 1 16 0  5  o 114.5624 2.050561  130.1655       4.642653  122.5777       6.070760  140.8550       7.205515  0.000000       0.000000  
1 1 1 16 0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16 0  7  o 77.19622 1.670016  59.63409       2.569743  56.27991       3.533352  63.40039       3.744132  0.000000       0.000000  
1 1 1 16 0  8  o 209.8119 3.638671  440.4100       15.20139  420.8930       20.54706  464.0103       22.59452  0.000000       0.000000  
1 1 1 16 0  9  o 217.8481 3.780807  477.0697       16.44917  472.7141       23.06545  481.5774       23.46497  0.000000       0.000000  
1 1 1 16 0  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16 0  11 o 29.86894 2.515495  9.537546       1.395703  7.621849       2.107212  11.03482       1.862928  0.000000       0.000000  
1 1 1 16 0  12 o 93.49643 1.913634  87.64523       3.568643  82.99983       4.945597  92.69143       5.154530  0.000000       0.000000  
1 1 1 16 0  13 o 229.9274 4.023476  534.1595       18.47593  535.6996       26.28710  532.6560       25.97355  0.000000       0.000000  
1 1 1 16 0  14 o 32.63535 2.709453  11.15567       1.688150  11.14261       2.674335  11.16433       2.176609  0.000000       0.000000  
1 1 1 16 0  15 o 55.58220 1.902829  31.74436       2.064124  28.19827       3.126604  34.48386       2.748111  0.000000       0.000000  
1 1 1 16 0  16 o 56.39548 1.514841  31.45703       1.212833  32.95067       3.166111  31.20016       1.312986  0.000000       0.000000  
1 1 1 16 0  17 o 84.79558 1.720521  70.72220       2.479793  76.32230       5.168116  69.04724       2.826413  0.000000       0.000000  
1 1 1 16 0  18 o 26.33060 3.795986  7.908097       0.8143900 7.974858       3.200385  7.903475       0.8421109 0.000000       0.000000  
1 1 1 16 0  19 o 8.514335 3.941406  0.2799113      0.7633939 1.684424       3.073380  0.1875590      0.7880924 0.000000       0.000000  
1 1 1 16 0  20 o 10.40338 4.105354  1.376929       0.7660549 0.6812810      3.727321  1.407610       0.7827654 0.000000       0.000000  
1 1 1 16 0  21 o 7.771441 3.249790  0.8591521      0.8213215 -4.813388      3.402883  1.210047       0.8463433 0.000000       0.000000  
1 1 1 16 0  22 o 7.669979 5.312953  -0.6435559     2.616040  -0.6435559     2.616040  -0.6435559     2.616040  0.000000       0.000000  
1 1 1 16 0  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16 1  0  o 33.13496 1.156928  11.02058       0.7599642 9.808272       1.043725  12.38858       1.108721  0.000000       0.000000  
1 1 1 16 1  1  o 216.1338 2.613174  463.2649       11.21576  434.0320       14.83436  502.2751       17.13650  -15.76109      5.226348  
1 1 1 16 1  2  o 164.5428 1.536223  269.9692       4.983784  275.8307       7.765634  265.8643       6.498664  3.019775       3.072446  
1 1 1 16 1  3  o 149.3664 1.654083  224.1352       4.920154  241.6164       6.848400  205.4868       7.073347  12.09608       3.308167  
1 1 1 16 1  4  o 133.7662 1.264464  179.5586       3.370688  170.1985       4.896892  187.9867       4.646689  -6.650879      2.528929  
1 1 1 16 1  5  o 95.54704 1.241863  91.31744       2.373048  90.45037       3.340616  92.20065       3.371592  -0.9156189     2.483726  
1 1 1 16 1  6  o 106.9113 1.398087  114.3393       2.989168  115.9833       4.260608  112.7457       4.194804  1.513298       2.796174  
1 1 1 16 1  7  o 45.11384 1.149019  20.35894       1.035537  20.30955       1.429676  20.41345       1.501934  -0.1141968     2.298039  
1 1 1 16 1  8  o 124.4861 1.595891  155.1278       3.973241  154.9678       5.599502  155.2900       5.638725  -0.1285248     3.191783  
1 1 1 16 1  9  o 87.29915 1.276883  76.25423       2.229097  75.09821       3.120364  77.45901       3.185483  -1.350639      2.553766  
1 1 1 16 1  10 o 12.64134 2.848257  1.467736       0.8406401 0.8097277      1.140325  2.251003       1.244137  -4.200192      5.696514  
1 1 1 16 1  11 o 14.96964 2.915190  2.292084       0.9015948 1.937301       1.217944  2.722192       1.341018  -2.343342      5.830379  
1 1 1 16 1  12 f 12.11699 3.047279  1.258773       0.9295092 1.102267       1.269327  1.439742       1.364922  -1.044236      6.094558  
1 1 1 16 1  13 o 15.73272 3.184253  2.523118       1.080986  1.746606       1.513974  3.330692       1.543958  -4.148748      6.368506  
1 1 1 16 1  14 o 77.58580 1.329501  59.77140       2.050809  66.19402       3.114184  54.85320       2.725156  7.275101       2.659002  
1 1 1 16 1  15 o 30.49378 1.423364  9.326721       0.6964701 9.388991       1.551911  9.311017       0.7793623 0.2739716E-01  2.846728  
1 1 1 16 1  16 o 44.79644 0.8758741 19.72781       0.7573230 18.70098       0.9427920 21.59552       1.271517  -3.194763      1.751748  
1 1 1 16 1  17 o 24.96778 1.259168  6.241286       0.6261478 6.776990       0.9394961 5.813173       0.8398693 1.906834       2.518335  
1 1 1 16 1  18 o 8.697372 2.407254  0.5171127      0.5921618 0.6831846      0.7101566 0.1381495      1.072765  0.1870174      4.814508  
1 1 1 16 1  19 f 30.73061 1.031669  9.532088       0.6337686 9.652406       0.8861135 9.406085       0.9068131 0.4071693      2.063338  
1 1 1 16 1  20 o 27.56283 1.102963  7.681630       0.6073983 7.352419       0.8365520 8.048694       0.8833380 -1.243423      2.205927  
1 1 1 16 1  21 o 30.66073 1.128381  9.683740       0.6874581 8.749542       0.9940173 10.54024       0.9517825 -2.951641      2.256763  
1 1 1 16 1  22 o 11.52593 3.694354  0.4959218      1.892036  -0.8312408     2.768902  1.658378       2.591396  -2.091451      7.388709  
1 1 1 16 1  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16 2  0  o 34.03630 1.095510  11.62294       0.7402041 12.93434       1.076673  10.44760       1.019295  0.000000       0.000000  
1 1 1 16 2  1  o 364.3860 3.814461  1312.511       25.74939  1376.811       46.65418  1284.344       30.87838  12.42853       7.628923  
1 1 1 16 2  2  o 135.3797 1.185714  183.2694       3.209965  181.0440       4.493029  185.5894       4.587601  -1.678284      2.371428  
1 1 1 16 2  3  o 89.03223 1.093242  75.86806       1.810955  88.52406       3.328621  70.54687       2.158341  10.08966       2.186483  
1 1 1 16 2  4  f 248.9746 2.125691  619.6011       10.57383  636.3615       15.38002  604.5785       14.56090  6.372101       4.251383  
1 1 1 16 2  5  o 153.9018 1.727684  234.3504       5.128292  246.9217       8.560573  227.3135       6.404725  6.341080       3.455368  
1 1 1 16 2  6  o 267.2986 2.636337  714.2825       14.07097  741.3922       20.62052  690.6594       19.24894  9.456055       5.272673  
1 1 1 16 2  7  o 91.06100 1.277088  82.85245       2.321226  81.26231       3.171079  84.68800       3.407024  -1.877419      2.554175  
1 1 1 16 2  8  o 206.8365 2.530208  428.3536       10.45494  417.4099       14.38118  440.6210       15.22601  -5.579987      5.060416  
1 1 1 16 2  9  o 123.8505 2.255165  153.5877       5.586065  153.5877       5.586065  ?              ?         ?              ?         
1 1 1 16 2  10 o 49.45523 1.186962  24.55143       1.170479  25.73579       1.620232  23.25866       1.692762  2.506477       2.373924  
1 1 1 16 2  11 o 105.5589 1.450082  111.4968       3.059992  115.3359       4.406350  107.9208       4.252702  3.506569       2.900163  
1 1 1 16 2  12 o 58.72845 1.208610  34.49101       1.411059  34.13626       1.889941  34.93784       2.121077  -0.6735191     2.417220  
1 1 1 16 2  13 o 139.5483 1.805941  195.2272       5.034903  191.4935       6.935151  199.3883       7.321395  -2.802170      3.611881  
1 1 1 16 2  14 o 11.74695 2.078135  1.761978       0.6077055 -1.389985      1.370032  2.534050       0.6780615 -8.277170      4.156270  
1 1 1 16 2  15 o 14.14102 2.626927  1.569687       0.6634648 3.408515       1.451771  1.084260       0.7459147 7.537067       5.253854  
1 1 1 16 2  16 o 21.26821 2.053916  4.582144       0.8013544 4.615116       1.460651  4.567946       0.9584816 -0.1667023E-01 4.107832  
1 1 1 16 2  17 o 43.37869 0.8220040 18.91967       0.7107186 19.36569       0.9727085 18.40884       1.040977  1.113373       1.644008  
1 1 1 16 2  18 o 45.82732 0.8276287 21.03702       0.7548254 20.53327       1.013007  21.66586       1.131815  -1.212944      1.655257  
1 1 1 16 2  19 o 21.96698 1.574655  4.882773       0.6539037 5.068722       1.134695  4.790314       0.8001258 0.4755287      3.149309  
1 1 1 16 2  20 o 7.898302 2.247473  0.2986323      0.5514870 0.3669374E-01  0.7456975 0.6148569      0.8193336 -1.777619      4.494946  
1 1 1 16 2  21 o 15.98050 1.913384  2.792853       0.5894448 3.160026       0.8155677 2.391309       0.8528857 2.701941       3.826769  
1 1 1 16 2  22 o 16.56950 4.364405  4.534129       1.963839  3.744560       2.793777  5.305329       2.761087  -2.531061      8.728809  
1 1 1 16 2  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16 3  0  o 158.0424 2.368413  251.0660       7.111916  253.0405       8.809253  247.3705       12.05186  0.000000       0.000000  
1 1 1 16 3  1  f 241.0930 2.216621  583.0385       10.62542  567.5954       15.79445  595.8055       14.36087  -5.864456      4.433242  
1 1 1 16 3  2  o 92.18022 1.055120  85.70261       1.862377  87.55373       2.333260  82.45279       3.091543  2.770439       2.110240  
1 1 1 16 3  3  o 106.5833 1.110268  113.4941       2.364180  116.1963       3.438904  111.0723       3.255538  2.402718       2.220536  
1 1 1 16 3  4  o 137.4168 1.249291  187.4199       3.285625  193.8907       5.560630  183.9488       4.072594  3.605682       2.498582  
1 1 1 16 3  5  o 97.25592 1.237111  94.03443       2.388900  99.28901       3.641267  90.06369       3.165339  4.738075       2.474223  
1 1 1 16 3  6  o 76.64368 0.8975474 58.66317       1.374743  61.37023       1.991143  56.19724       1.900390  3.373924       1.795095  
1 1 1 16 3  7  o 101.0399 1.239502  100.0959       2.369916  96.08434       2.886696  108.3900       4.150765  -6.070755      2.479003  
1 1 1 16 3  8  o 145.6111 1.834286  212.0519       5.337897  219.2895       7.733142  205.4651       7.377278  4.737503       3.668572  
1 1 1 16 3  9  o 60.74693 2.525732  0.000000       0.000000  ?              ?         36.96252       3.068608  ?              ?         
1 1 1 16 3  10 o 106.8702 1.443496  114.3792       3.085101  116.1764       4.368593  112.5913       4.357413  1.676918       2.886992  
1 1 1 16 3  11 o 100.2274 1.393271  100.6083       2.792198  101.0773       3.910933  100.1207       3.987717  0.4799881      2.786542  
1 1 1 16 3  12 o 45.86460 1.318024  21.17582       1.193486  21.78949       1.579937  20.36026       1.821386  1.568306       2.636048  
1 1 1 16 3  13 o 57.45860 1.279701  32.75147       1.453039  31.11763       1.893727  35.09035       2.265774  -3.438641      2.559401  
1 1 1 16 3  14 o 39.24741 1.274401  15.30200       0.9703704 16.04779       1.594474  14.86329       1.222915  1.478317       2.548801  
1 1 1 16 3  15 o 112.2827 1.400863  126.8856       3.088027  126.0760       4.845515  127.4394       4.007202  -0.7212067     2.801726  
1 1 1 16 3  16 o 43.41962 1.165913  18.83743       0.9870639 19.42368       1.594340  18.47307       1.256913  1.044666       2.331827  
1 1 1 16 3  17 o 22.13721 1.391925  5.063394       0.5876051 5.365727       0.7413312 4.552412       0.9637668 1.894396       2.783851  
1 1 1 16 3  18 o 58.15781 0.9265242 33.99106       1.074332  33.71524       1.460041  34.31672       1.586493  -0.4897385     1.853048  
1 1 1 16 3  19 o 44.39301 0.9761893 19.41481       0.8393369 21.67549       1.401691  18.15108       1.047997  3.862125       1.952379  
1 1 1 16 3  20 o 23.49236 1.249059  5.562105       0.5842060 4.997622       0.7848175 6.263584       0.8748855 -2.651054      2.498117  
1 1 1 16 3  21 o 24.73765 1.211098  6.227793       0.5951229 5.792279       0.7878224 6.806597       0.9082226 -1.952847      2.422196  
1 1 1 16 3  22 o 12.33380 3.300521  0.2052765      0.6459931 5.538659       2.557472  -0.1581938     0.6676425 12.62355       6.601041  
1 1 1 16 4  0  o 134.3256 2.046762  178.7615       5.125261  175.3640       6.188681  186.1794       9.144388  0.000000       0.000000  
1 1 1 16 4  1  o 207.9782 1.923444  433.0442       7.927095  430.5818       12.03827  434.9294       10.53311  -1.058182      3.846888  
1 1 1 16 4  2  o 71.85411 1.268124  51.63562       1.822398  51.63562       1.822398  ?              ?         ?              ?         
1 1 1 16 4  3  o 121.8786 1.173928  146.1569       2.775525  158.2684       4.592340  139.1868       3.483798  7.821320       2.347857  
1 1 1 16 4  4  o 207.8811 2.201403  425.3652       8.433982  450.9333       15.46442  414.5406       10.06215  8.674667       4.402807  
1 1 1 16 4  5  o 150.6066 1.414696  227.4291       4.225793  222.9071       6.368198  230.9870       5.648645  -2.690811      2.829391  
1 1 1 16 4  6  o 156.2047 1.573098  244.0855       4.913504  248.0553       7.036267  240.3072       6.864406  2.477448       3.146195  
1 1 1 16 4  7  o 214.1821 2.122726  458.8744       9.084464  472.5029       13.19868  446.6061       12.52270  6.027771       4.245452  
1 1 1 16 4  8  o 339.9975 3.353281  1160.835       22.79302  1181.177       32.79790  1141.833       31.69859  5.731354       6.706563  
1 1 1 16 4  9  o 46.16590 1.940159  20.52144       1.719347  18.60950       2.110872  24.29037       2.963700  -6.121990      3.880317  
1 1 1 16 4  10 o 117.9177 1.553636  138.8649       3.651465  134.5574       4.932404  144.0883       5.431502  -4.022072      3.107273  
1 1 1 16 4  11 o 131.4222 1.706912  172.6874       4.475479  167.7003       6.084370  178.5670       6.606370  -4.110947      3.413825  
1 1 1 16 4  12 o 122.8160 1.467348  149.9073       3.498466  156.1697       5.731370  146.1883       4.416762  4.001076       2.934695  
1 1 1 16 4  13 o 42.86343 1.165974  17.65910       0.9681084 21.37763       1.633906  15.64738       1.201780  6.664349       2.331949  
1 1 1 16 4  14 o 78.91543 1.220508  0.000000       0.000000  ?              ?         62.36205       1.926338  ?              ?         
1 1 1 16 4  15 o 31.43744 1.457929  9.630227       0.8941368 11.34660       1.474016  8.630980       1.124689  4.268600       2.915859  
1 1 1 16 4  16 o 13.51109 2.055922  0.9773152      0.6067148 4.257594       1.211964  -0.1196424     0.7008567 13.92004       4.111843  
1 1 1 16 4  17 o 23.48819 1.195795  5.660064       0.5471203 6.086531       0.7147974 5.056747       0.8501849 2.223085       2.391591  
1 1 1 16 4  18 o 35.51649 0.9425419 12.90951       0.6520735 13.83401       0.8506857 11.59246       1.015356  3.191906       1.885084  
1 1 1 16 4  19 o 35.57489 1.085365  12.53891       0.7510175 13.85965       1.237908  11.76966       0.9447426 2.834469       2.170730  
1 1 1 16 4  20 o 6.742880 2.088222  -0.1074755     0.5365167 0.4475867E-01  0.6981305 -0.3270880     0.8385118 0.1382728      4.176443  
1 1 1 16 4  21 f 23.30184 1.317631  5.714843       0.5988718 6.237163       0.7901949 5.009965       0.9179581 2.744963       2.635261  
1 1 1 16 4  22 o 11.94508 3.331879  1.574876       0.9576144 1.720076       2.543781  1.550901       1.033654  1.204165       6.663757  
1 1 1 16 5  0  o 47.80426 1.217422  22.46153       1.083495  24.27544       1.946824  21.64756       1.304130  0.000000       0.000000  
1 1 1 16 5  1  o 296.2734 2.520951  878.4952       14.93769  876.2727       21.07379  880.7393       21.17676  -0.7525940     5.041902  
1 1 1 16 5  2  o 192.0477 1.785641  366.7630       6.732720  380.3720       10.67346  357.7696       8.676714  5.867401       3.571281  
1 1 1 16 5  3  o 293.2686 2.885979  858.1328       16.88079  822.3958       22.87219  900.8895       25.01793  -13.34802      5.771957  
1 1 1 16 5  4  o 187.1463 1.921412  346.1404       6.381668  359.9459       12.41032  341.1776       7.440819  4.948044       3.842824  
1 1 1 16 5  5  o 352.6435 3.234253  1250.022       22.68997  1211.268       33.57204  1282.610       30.78566  -10.19141      6.468505  
1 1 1 16 5  6  o 88.46242 0.9981474 78.16413       1.762958  76.44279       2.412851  80.13548       2.582148  -2.085457      1.996295  
1 1 1 16 5  7  o 117.8753 1.235178  138.9297       2.908712  137.1521       4.009058  140.9054       4.226642  -1.588654      2.470355  
1 1 1 16 5  8  o 44.43102 0.8534002 19.36580       0.7398513 18.12771       0.9352593 21.43619       1.209438  -3.719635      1.706800  
1 1 1 16 5  9  o 108.3130 1.406580  116.9130       3.032359  112.4038       4.062060  122.5889       4.557356  -4.688538      2.813160  
1 1 1 16 5  10 o 43.32835 0.9849464 18.05167       0.7880018 20.68894       1.464056  16.97608       0.9349847 4.271526       1.969893  
1 1 1 16 5  11 o 149.2995 1.723954  223.0063       5.034982  225.2918       8.020757  221.5199       6.468208  1.192444       3.447908  
1 1 1 16 5  12 o 27.26122 1.414426  7.796493       0.6745902 6.710356       1.275555  8.218237       0.7948429 -2.786846      2.828853  
1 1 1 16 5  13 o 110.2058 1.286918  120.5163       2.649648  124.9468       4.712947  118.4688       3.203939  2.860863       2.573835  
1 1 1 16 5  14 o 29.16710 2.095019  8.091892       1.009449  9.454271       2.238224  7.744019       1.131008  2.784233       4.190037  
1 1 1 16 5  15 o 94.64413 1.279568  89.70049       2.379123  91.53352       3.749935  88.46558       3.077903  1.534561       2.559136  
1 1 1 16 5  16 o 72.41965 1.124535  51.76423       1.576379  56.29469       2.624442  49.20717       1.971682  4.798286       2.249070  
1 1 1 16 5  17 o 30.22644 0.9519935 9.174625       0.5634033 9.140495       0.7256159 9.226439       0.8940344 -0.1101341     1.903987  
1 1 1 16 5  18 o 25.16068 1.128404  6.466989       0.5399971 6.662411       0.6731820 6.114310       0.9043447 1.151293       2.256807  
1 1 1 16 5  19 o 29.07432 1.244883  8.186602       0.7061583 10.56021       1.164480  6.806051       0.8880837 6.338289       2.489765  
1 1 1 16 5  20 o 10.50534 2.274898  1.189972       0.5184677 1.259847       0.6628598 1.079856       0.8321211 0.5313892      4.549796  
1 1 1 16 5  21 o 6.988652 2.085883  0.1401113      0.5066009 0.3893588      0.6357926 -0.2933124     0.8384099 0.7691054      4.171766  
1 1 1 16 5  22 o 16.75084 3.679492  2.466179       0.8866665 7.243012       2.963916  1.996668       0.9292203 7.825994       7.358984  
1 1 1 16 6  0  o 222.5486 2.699404  495.9545       12.00704  496.0525       17.00071  495.8570       16.96040  0.000000       0.000000  
1 1 1 16 6  1  o 132.7686 1.211492  176.9449       3.133326  173.4687       5.012720  179.1742       4.014178  -2.154373      2.422985  
1 1 1 16 6  2  o 179.0168 1.914458  310.2957       6.193008  344.7337       11.87294  297.4240       7.258687  13.16914       3.828915  
1 1 1 16 6  3  o 424.9917 5.118754  1814.177       43.50639  1802.662       61.15892  1825.973       61.90248  -2.719482      10.23751  
1 1 1 16 6  4  o 140.1142 1.516938  193.4189       3.915127  204.0741       7.177835  188.9063       4.671177  5.384384       3.033875  
1 1 1 16 6  5  o 281.9677 2.851394  794.3258       14.47347  802.0234       27.30490  791.3179       17.06868  1.648834       5.702788  
1 1 1 16 6  6  o 251.6928 2.487818  634.3621       12.51919  645.8000       17.98801  623.6169       17.43457  4.392303       4.975636  
1 1 1 16 6  7  o 118.3784 1.241690  140.2212       2.939007  140.4709       4.111249  139.9602       4.203038  0.2172318      2.483381  
1 1 1 16 6  8  o 42.24910 0.8857175 17.87675       0.7359738 17.97166       0.9588212 17.74064       1.148253  0.2759705      1.771435  
1 1 1 16 6  9  o 52.19733 0.9962441 27.25441       1.025480  27.22457       1.342330  27.29624       1.589228  -0.6391144E-01 1.992488  
1 1 1 16 6  10 o 70.16154 1.320368  0.000000       0.000000  ?              ?         49.25711       1.852781  ?              ?         
1 1 1 16 6  11 o 82.62938 1.059474  67.73792       1.647588  70.08890       2.888088  66.60367       2.006041  2.083916       2.118949  
1 1 1 16 6  12 o 95.97341 1.156878  92.82906       2.124216  90.12354       3.541103  94.34992       2.654957  -2.235519      2.313757  
1 1 1 16 6  13 f 80.16959 1.162748  64.26130       1.845883  65.18398       2.825016  63.57388       2.438395  0.9850693      2.325496  
1 1 1 16 6  14 o 140.4031 2.112899  197.5013       5.095538  201.2421       10.35045  196.3047       5.854081  1.156525       4.225798  
1 1 1 16 6  15 o 72.95570 1.117473  53.53338       1.609132  52.68679       2.474335  54.15384       2.118248  -1.046051      2.234947  
1 1 1 16 6  16 o 13.96453 2.442944  1.658469       0.6840935 3.529517       1.236179  0.8325323      0.8213198 8.658593       4.885887  
1 1 1 16 6  17 o 37.34037 0.9324562 13.99355       0.6946284 15.43073       1.002481  12.66627       0.9633905 3.694099       1.864912  
1 1 1 16 6  18 o 11.43550 2.120010  1.286574       0.4733642 1.017608       0.5785701 1.831149       0.8232601 -3.223419      4.240020  
1 1 1 16 6  19 o 23.41580 1.405959  5.527885       0.6491053 5.979565       1.021916  5.222399       0.8404180 1.524288       2.811918  
1 1 1 16 6  20 o 10.93721 2.146818  1.391200       0.5252436 1.863369       0.6545039 0.5369898      0.8803307 4.468431       4.293635  
1 1 1 16 6  21 o 11.46570 2.456162  1.410886       0.5645566 1.266293       0.6644412 1.786302       1.070630  -1.716614      4.912324  
1 1 1 16 6  22 o 16.46977 3.315563  3.512518       0.8779567 3.798355       2.864561  3.482884       0.9223454 -2.749280      6.631126  
1 1 1 16 7  0  o 423.4822 5.849981  1820.133       43.63843  1756.248       84.09235  1843.677       51.05021  0.000000       0.000000  
1 1 1 16 7  1  o 200.3463 2.104575  404.3324       8.035008  392.6755       13.51284  410.7083       9.993708  -4.537521      4.209151  
1 1 1 16 7  2  o 346.8798 3.184857  1206.408       21.90600  1195.687       33.14700  1214.721       29.18868  -2.813904      6.369714  
1 1 1 16 7  3  o 99.07202 1.198694  98.48563       2.327548  96.61607       3.660020  99.75512       3.015975  -1.589371      2.397388  
1 1 1 16 7  4  o 58.34273 0.9393733 33.56258       1.044943  35.62300       1.793552  32.50381       1.285687  2.669384       1.878747  
1 1 1 16 7  5  o 207.9742 1.844285  433.7906       7.453199  429.1798       12.03133  436.6620       9.494397  -1.841278      3.688569  
1 1 1 16 7  6  o 53.72167 0.9133528 28.65728       0.9123619 29.43695       1.634026  28.30411       1.099756  1.049030       1.826706  
1 1 1 16 7  7  o 102.9889 1.265474  105.6549       2.552334  108.4529       4.068220  103.8388       3.277642  2.226387       2.530948  
1 1 1 16 7  8  o 74.75023 1.034850  56.74182       1.512432  60.56025       1.983005  51.43164       2.338490  6.111885       2.069700  
1 1 1 16 7  9  o 165.4137 2.047797  272.1883       6.729912  257.3863       8.926392  291.6832       10.24418  -10.31306      4.095593  
1 1 1 16 7  10 o 73.24487 1.400441  53.01260       1.906562  55.63791       3.433974  51.84271       2.292332  2.551003       2.800883  
1 1 1 16 7  11 o 156.6554 1.799327  245.7877       5.531779  247.3141       8.719200  244.7594       7.156478  0.7374420      3.598654  
1 1 1 16 7  12 o 65.48067 1.024887  41.65777       1.273445  46.85830       2.234358  39.15575       1.549792  5.857964       2.049774  
1 1 1 16 7  13 o 27.53945 1.543313  7.439713       0.8324030 8.414496       1.349476  6.841034       1.057566  2.836397       3.086625  
1 1 1 16 7  14 o 17.97215 3.505740  3.288623       1.240499  3.776443       2.180269  3.055112       1.508460  1.935169       7.011480  
1 1 1 16 7  15 o 59.54884 1.295660  0.000000       0.000000  ?              ?         35.54841       1.543101  ?              ?         
1 1 1 16 7  16 f 62.63241 1.005769  39.29893       1.206688  39.65398       2.025502  39.10359       1.502403  0.3697701      2.011539  
1 1 1 16 7  17 o 37.81751 0.8476829 14.36124       0.6161210 14.35370       0.7712265 14.37455       1.024334  0.1810455E-01  1.695366  
1 1 1 16 7  18 o 30.68718 1.007798  9.526990       0.5925756 9.627869       0.7411171 9.348180       0.9866852 0.5195560      2.015595  
1 1 1 16 7  19 f 37.54517 1.084363  14.31350       0.8067937 13.95690       1.217779  14.59246       1.077088  -0.9037247     2.168727  
1 1 1 16 7  20 o 33.35133 0.9424855 11.43715       0.6171291 12.46077       0.8232797 10.12428       0.9323700 3.554010       1.884971  
1 1 1 16 7  21 o 8.129049 2.201073  0.5811386      0.4926370 0.7000945      0.6005322 0.3363726      0.8614275 0.3561964      4.402147  
1 1 1 16 7  22 o 13.14409 3.466488  2.267352       1.083166  1.995952       2.765329  2.316538       1.177233  -0.6215734     6.932977  
1 1 1 16 8  0  o 162.8733 2.479326  260.1455       7.406570  279.8863       13.71395  252.0163       8.800411  0.000000       0.000000  
1 1 1 16 8  1  o 192.1520 1.789589  369.8520       6.816891  366.0358       10.32230  372.8036       9.078169  -1.773544      3.579178  
1 1 1 16 8  2  o 207.4264 2.062964  430.5069       8.557270  435.3577       12.21607  425.8334       11.99069  2.292877       4.125928  
1 1 1 16 8  3  o 320.2549 3.224072  1031.198       18.75748  1019.815       34.67093  1035.908       22.30344  -2.798767      6.448144  
1 1 1 16 8  4  o 182.2529 2.029937  334.0936       7.307280  321.6690       11.13939  343.4786       9.681418  -6.008011      4.059873  
1 1 1 16 8  5  o 187.3163 1.745970  352.1269       6.521745  334.3065       9.434260  368.4369       9.025586  -9.117233      3.491940  
1 1 1 16 8  6  o 164.0531 1.479433  267.9427       4.669780  274.3723       7.789426  264.3354       5.834507  3.025284       2.958866  
1 1 1 16 8  7  o 116.5169 1.236548  135.8645       2.881130  137.2818       4.053010  134.4165       4.096402  1.230331       2.473097  
1 1 1 16 8  8  o 63.28059 0.9146619 40.07130       1.150086  40.15781       1.541993  39.96285       1.726543  0.1568756      1.829324  
1 1 1 16 8  9  o 54.72887 0.9027966 30.06758       0.9770791 30.67468       1.295858  29.26765       1.487471  1.289097       1.805593  
1 1 1 16 8  10 o 128.0729 1.624170  164.2401       4.159059  168.9000       5.964518  159.8301       5.802424  3.534286       3.248340  
1 1 1 16 8  11 o 96.82480 1.256464  92.85712       2.378596  98.56280       3.836520  89.29456       3.031559  4.757027       2.512927  
1 1 1 16 8  12 o 113.9804 1.318132  130.9751       2.897030  126.9053       4.740448  133.4012       3.660036  -2.897728      2.636265  
1 1 1 16 8  13 o 54.88809 1.187921  30.22684       1.302212  31.33557       1.817220  29.05654       1.866999  2.078934       2.375843  
1 1 1 16 8  14 o 66.40358 1.084742  44.13852       1.437444  40.18711       1.995313  48.40195       2.072594  -6.179554      2.169484  
1 1 1 16 8  15 o 18.40338 2.438698  3.279040       0.7991872 4.093174       1.534437  2.975981       0.9361915 2.494207       4.877395  
1 1 1 16 8  16 o 27.54741 0.9883041 7.477205       0.4923465 7.295176       0.5796130 7.948895       0.9330307 -1.137960      1.976608  
1 1 1 16 8  17 o 17.84024 1.406504  2.775047       0.4440610 2.338596       0.5055654 4.248587       0.9289460 -5.223255      2.813009  
1 1 1 16 8  18 o 10.73391 2.193816  1.285947       0.5025636 1.531150       0.6067924 0.7503362      0.8968130 2.519242       4.387633  
1 1 1 16 8  19 o 19.60175 1.699608  3.997205       0.6594789 3.521828       0.9604992 4.421174       0.9070796 -2.327774      3.399215  
1 1 1 16 8  20 o 20.73039 1.541087  4.156183       0.5570993 3.866292       0.6369362 5.099981       1.149260  -2.542202      3.082174  
1 1 1 16 8  21 o 11.71717 2.025965  1.703748       0.5173821 2.295017       0.6430945 0.6188403      0.8711219 6.107161       4.051931  
1 1 1 16 8  22 o 12.06371 3.469771  1.329472       0.9240174 3.058124       2.729350  1.105694       0.9820058 4.141335       6.939542  
1 1 1 16 9  0  o 143.1537 2.053817  206.4477       5.130847  202.8137       10.07967  207.7186       5.960908  0.000000       0.000000  
1 1 1 16 9  1  o 400.0825 3.679143  1602.183       29.07626  1619.841       44.88848  1589.419       38.16493  3.643555       7.358285  
1 1 1 16 9  2  o 164.0602 1.548084  267.3288       4.984674  259.5420       6.413159  279.2119       7.922457  -5.978180      3.096168  
1 1 1 16 9  3  o 110.8739 1.018510  122.9230       2.258192  120.6380       3.161968  125.3017       3.226131  -2.102623      2.037020  
1 1 1 16 9  4  o 109.5532 1.429960  119.4224       3.121245  127.4353       4.668176  112.9440       4.197464  6.607849       2.859921  
1 1 1 16 9  5  o 91.77419 0.9246594 84.69801       1.661011  81.98081       2.612487  86.54169       2.151969  -2.489166      1.849319  
1 1 1 16 9  6  o 133.0415 1.283352  177.5688       3.399686  171.5753       5.000673  182.7196       4.635798  -4.194107      2.566704  
1 1 1 16 9  7  o 117.3311 1.159103  137.9699       2.707738  135.2062       4.002473  140.3021       3.676856  -2.177109      2.318206  
1 1 1 16 9  8  o 38.28183 1.054585  14.57634       0.7834892 14.31272       0.9900976 15.01795       1.281477  -0.9156609     2.109170  
1 1 1 16 9  9  o 74.00890 0.9731017 54.96643       1.435213  57.17071       1.973571  52.49226       2.090902  3.163330       1.946203  
1 1 1 16 9  10 o 47.26167 1.079061  22.54054       1.009560  23.98372       1.362521  20.78372       1.503305  3.389202       2.158121  
1 1 1 16 9  11 o 106.9262 1.373729  113.8797       2.782240  112.5618       3.413980  116.4860       4.800902  -1.778587      2.747458  
1 1 1 16 9  12 o 136.7835 1.643765  187.0483       4.437244  190.9209       6.888562  184.3020       5.801062  2.357208       3.287531  
1 1 1 16 9  13 f 61.71185 1.091082  38.25912       1.339199  37.03413       1.983470  39.28541       1.815486  -1.833729      2.182164  
1 1 1 16 9  14 o 56.71834 1.062502  31.85513       1.182837  34.24762       1.889825  30.31425       1.516641  3.436275       2.125003  
1 1 1 16 9  15 o 59.03256 1.291486  33.64700       1.319855  37.79470       2.712916  32.36087       1.510691  4.441792       2.582972  
1 1 1 16 9  16 o 27.87203 1.018722  7.696396       0.5053844 7.570916       0.5901330 8.041595       0.9788047 -0.7836933     2.037444  
1 1 1 16 9  17 o 41.64975 0.8938745 17.41442       0.7268017 17.35740       0.9310369 17.50336       1.162911  -0.1314545     1.787749  
1 1 1 16 9  18 o 29.81665 1.055255  9.043962       0.6004125 9.226592       0.7492222 8.716146       1.003776  0.9312115      2.110510  
1 1 1 16 9  19 o 74.23518 1.325326  55.92166       1.958133  57.87540       2.937185  54.35863       2.627122  2.219589       2.650653  
1 1 1 16 9  20 o 28.91044 1.073194  8.442000       0.5935518 8.261876       0.7354699 8.778450       1.005168  -0.7251797     2.146389  
1 1 1 16 9  21 o 20.55153 1.504429  3.734992       0.5155612 3.245629       0.5724661 5.835877       1.186139  -5.577312      3.008858  
1 1 1 16 9  22 o 20.02413 2.169746  4.407066       0.8563779 5.372541       1.356761  3.767684       1.104112  3.469128       4.339493  
1 1 1 16 10 0  o 156.2433 2.225945  247.3719       6.125059  238.5227       11.80734  250.6301       7.164432  0.000000       0.000000  
1 1 1 16 10 1  o 82.11118 1.173308  67.38635       1.925995  64.88801       2.682543  70.04440       2.766953  -3.139160      2.346616  
1 1 1 16 10 2  o 336.9367 3.107173  1133.715       20.63006  1160.479       32.21767  1115.114       26.85868  6.602417       6.214346  
1 1 1 16 10 3  o 140.0703 1.617344  195.2175       4.406743  191.6976       5.589816  200.9972       7.162824  -3.298203      3.234688  
1 1 1 16 10 4  f 75.27700 1.259191  0.000000       0.000000  ?              ?         56.67822       1.895762  ?              ?         
1 1 1 16 10 5  o 158.5383 1.439041  251.6741       4.432049  250.7992       7.172408  252.2146       5.637071  -0.4705811     2.878083  
1 1 1 16 10 6  o 51.04713 0.7959248 25.86401       0.7918933 26.94058       1.283681  25.20263       1.006157  1.699360       1.591850  
1 1 1 16 10 7  o 122.2820 1.206782  148.7092       2.908628  154.8586       4.555330  144.4764       3.779338  4.231018       2.413564  
1 1 1 16 10 8  o 157.9332 1.808434  249.0757       5.555237  246.5396       7.058614  253.2030       9.004596  -2.044281      3.616869  
1 1 1 16 10 9  o 98.82323 1.300680  95.90477       2.395397  92.79331       2.879976  102.8887       4.314768  -5.062546      2.601361  
1 1 1 16 10 10 o 46.64507 0.9942572 22.03730       0.9023023 23.01545       1.164100  20.56524       1.428079  2.633095       1.988514  
1 1 1 16 10 11 o 62.43602 0.9708711 39.49474       1.193032  42.31864       1.588905  35.84511       1.806335  5.190659       1.941742  
1 1 1 16 10 12 o 103.5630 1.282479  106.3941       2.554659  111.1748       4.284009  103.7560       3.182409  3.531227       2.564958  
1 1 1 16 10 13 f 87.99717 1.167143  77.69264       2.018064  77.16331       3.158371  78.05785       2.623443  -0.5447235     2.334285  
1 1 1 16 10 14 o 118.6570 1.327160  142.0010       2.916213  139.8130       5.204541  143.0023       3.520823  -1.534187      2.654321  
1 1 1 16 10 15 o 26.86464 1.233201  7.250264       0.6614997 7.246907       0.9097303 7.254032       0.9635954 -0.6122589E-02 2.466402  
1 1 1 16 10 16 o 10.19439 2.353165  0.9012375      0.5961443 0.2571082      0.8135948 1.647990       0.8760117 -4.524120      4.706330  
1 1 1 16 10 17 o 38.24894 0.8741894 14.94927       0.6258141 15.45003       0.7680847 13.96032       1.079397  2.003361       1.748379  
1 1 1 16 10 18 o 7.270451 2.063196  0.2278298      0.4280927 0.1027623      0.5128455 0.5152419      0.7774399 -2.315377      4.126392  
1 1 1 16 10 19 o 34.28249 1.009564  11.78093       0.6451501 11.61736       0.7794672 12.13673       1.149593  -0.6244965     2.019128  
1 1 1 16 10 20 o 17.64199 2.098233  3.826571       0.5188013 4.070232       0.5739335 2.737968       1.213117  4.716786       4.196467  
1 1 1 16 10 21 o 6.633622 2.067203  -0.2562849E-01 0.4485008 -0.7024408E-01 0.5080466 0.1319349      0.9547461 -2.307935      4.134405  
1 1 1 16 10 22 o 9.312087 2.997922  0.1849695      0.9295362 0.2102459      2.409220  0.1805488      1.007549  2.806622       5.995844  
1 1 1 16 11 0  o 36.87878 1.451970  13.01571       0.8933214 15.05737       1.928750  12.45813       1.007951  0.000000       0.000000  
1 1 1 16 11 1  o 107.3313 1.163976  115.2106       2.498351  113.1900       3.504328  117.2991       3.562801  -1.913681      2.327952  
1 1 1 16 11 2  o 90.36085 0.9655547 81.60690       1.725731  82.08485       2.647933  81.25397       2.275330  0.4567566      1.931109  
1 1 1 16 11 3  o 143.7088 1.380019  206.3088       3.915055  208.5608       6.058398  204.6940       5.130114  1.333786       2.760038  
1 1 1 16 11 4  o 63.96391 0.9371873 41.28359       1.139416  39.75247       1.922442  42.11270       1.414668  -1.849720      1.874375  
1 1 1 16 11 5  o 154.9260 1.473883  239.4018       4.501177  235.6168       5.865728  244.8228       7.019862  -2.950745      2.947766  
1 1 1 16 11 6  o 202.4496 1.801834  412.6926       7.119087  421.3495       9.171381  399.5694       11.29204  5.432541       3.603668  
1 1 1 16 11 7  o 105.8839 1.023483  111.5636       2.071427  110.1480       2.567092  114.2054       3.506932  -1.900650      2.046965  
1 1 1 16 11 8  o 84.49205 0.9808997 68.60052       1.598115  61.60411       1.972250  81.97725       2.727089  -12.04176      1.961799  
1 1 1 16 11 9  o 57.17342 0.9652866 32.37378       1.085750  30.95236       1.400392  34.51587       1.719129  -3.108635      1.930573  
1 1 1 16 11 10 o 38.56538 0.9300575 14.85039       0.7149369 15.25682       1.061419  14.51286       0.9672732 0.9622345      1.860115  
1 1 1 16 11 11 o 90.19276 1.086417  81.63157       1.952495  84.08288       2.673476  78.82969       2.858267  2.918686       2.172834  
1 1 1 16 11 12 o 87.35297 0.9836934 76.12620       1.709581  78.81068       2.570390  73.99662       2.289365  2.745049       1.967387  
1 1 1 16 11 13 o 79.62842 0.9156708 63.57632       1.453541  62.53379       2.133911  64.47875       1.985355  -1.229927      1.831342  
1 1 1 16 11 14 o 44.48238 0.9283442 19.86654       0.8215262 20.19163       1.111343  19.47488       1.219850  0.8150024      1.856688  
1 1 1 16 11 15 o 80.81888 0.9761748 65.49515       1.577247  64.75629       2.195076  66.28379       2.267832  -0.9369125     1.952350  
1 1 1 16 11 16 o 24.45819 1.579416  6.276169       0.7444970 4.859788       1.123376  7.385492       0.9941781 -5.199602      3.158831  
1 1 1 16 11 17 o 46.68493 0.8576507 22.16874       0.7895918 24.14565       1.064141  19.74701       1.177791  4.731682       1.715301  
1 1 1 16 11 18 o 17.97242 1.986909  3.880010       0.6000322 4.735497       0.7398508 2.235900       1.025658  7.322136       3.973818  
1 1 1 16 11 19 o 49.40911 0.8936235 25.20775       0.8234215 26.35945       1.011210  22.94122       1.418581  3.594707       1.787247  
1 1 1 16 11 20 o 26.15298 1.243315  7.519345       0.5448837 8.019969       0.6328816 6.085220       1.071176  4.017092       2.486630  
1 1 1 16 11 21 o 14.01909 2.039853  2.204443       0.4804580 2.220799       0.5486300 2.150627       0.9951892 1.177329       4.079707  
1 1 1 16 11 22 o 16.71209 3.578386  2.896570       1.010670  6.737066       2.603445  2.215096       1.096679  7.086103       7.156772  
1 1 1 16 12 0  o 122.7551 2.256763  151.0838       5.532257  151.6667       7.838910  150.5053       7.808764  0.000000       0.000000  
1 1 1 16 12 1  o 96.55891 1.336389  93.16508       2.578168  95.62804       3.748865  90.95486       3.551312  2.417580       2.672778  
1 1 1 16 12 2  o 74.63857 1.006401  53.54972       1.378934  61.17783       2.587610  50.52433       1.629601  7.128098       2.012801  
1 1 1 16 12 3  o 144.8653 1.487209  209.1971       4.295898  219.7577       6.380538  200.4404       5.810087  6.659058       2.974419  
1 1 1 16 12 4  o 225.0222 2.510913  505.9618       11.02836  501.0607       14.09960  513.6859       17.70036  -2.705475      5.021826  
1 1 1 16 12 5  o 99.77441 1.101299  99.56491       2.197253  98.06474       3.072752  101.1347       3.143216  -1.537437      2.202599  
1 1 1 16 12 6  o 119.0698 1.188188  138.6859       2.733004  130.3696       3.401396  153.8356       4.590877  -9.833130      2.376376  
1 1 1 16 12 7  o 110.9373 1.309725  121.2594       2.786334  116.7159       3.448146  129.8084       4.729895  -5.871849      2.619450  
1 1 1 16 12 8  o 84.79633 0.9289300 72.11530       1.543270  72.82401       1.996671  71.06363       2.432256  1.046494       1.857860  
1 1 1 16 12 9  o 90.13817 1.009808  81.31855       1.820019  83.42064       2.575603  79.22203       2.572190  2.328896       2.019616  
1 1 1 16 12 10 o 137.5060 1.261759  190.3565       3.381490  194.1328       4.344654  184.5540       5.385575  3.518982       2.523518  
1 1 1 16 12 11 o 112.7308 1.256690  128.0593       2.533347  129.0476       2.983610  125.5060       4.795721  1.644348       2.513381  
1 1 1 16 12 12 o 191.7810 1.808467  367.9052       6.828576  362.0520       8.873492  376.4053       10.69322  -3.607788      3.616934  
1 1 1 16 12 13 o 68.87360 0.9802852 46.00007       1.303151  42.14381       1.614054  53.22050       2.208600  -8.003258      1.960570  
1 1 1 16 12 14 o 81.03779 0.9042457 65.78159       1.452057  65.54486       1.925570  66.09369       2.210912  -0.3135834     1.808491  
1 1 1 16 12 15 o 41.40313 0.9668554 16.97168       0.7938046 15.54910       1.042873  18.93121       1.223967  -4.062618      1.933711  
1 1 1 16 12 16 o 26.42496 1.288458  7.256987       0.6287166 7.647468       0.7675573 6.460786       1.096029  2.320269       2.576916  
1 1 1 16 12 17 o 7.455655 2.343150  -0.1354508     0.6133507 0.1680460E-01  0.6964614 -0.6616190     1.294711  -1.293625      4.686299  
1 1 1 16 12 18 o 15.97301 1.892607  2.727842       0.5727919 3.016669       0.7541546 2.334084       0.8805553 2.461789       3.785215  
1 1 1 16 12 19 o 17.12276 2.684763  3.428289       0.8996242 2.387955       1.447407  4.083179       1.148387  -5.227796      5.369526  
1 1 1 16 12 20 o 33.39126 1.113449  12.59999       0.6604136 15.03933       0.8249235 8.246017       1.102101  10.36177       2.226898  
1 1 1 16 12 21 o 11.60601 2.232021  1.146626       0.4995371 0.6501695      0.5724438 2.731747       1.022877  -7.201558      4.464042  
1 1 1 16 12 22 o 9.170969 2.917375  0.4388713      0.9559667 -0.6491016     2.398522  0.6443395      1.042334  0.8180742      5.834750  
1 1 1 16 13 0  o 29.14022 2.139715  8.315316       1.188859  10.98767       1.978064  6.804099       1.487500  0.000000       0.000000  
1 1 1 16 13 1  f 147.9506 1.604804  219.4791       4.499222  217.6738       7.698488  220.4156       5.544707  -0.9584351     3.209609  
1 1 1 16 13 2  o 49.46001 1.083217  23.15254       1.001602  28.17493       1.837088  21.02810       1.194804  7.218014       2.166434  
1 1 1 16 13 3  o 140.9438 1.460620  198.5134       4.112646  204.1251       5.989354  193.5069       5.657169  3.761627       2.921241  
1 1 1 16 13 4  o 146.4336 1.345842  213.6004       3.789575  211.1163       4.733007  218.0372       6.325382  -2.337128      2.691684  
1 1 1 16 13 5  o 64.54445 0.9594552 38.57581       1.025911  36.38484       1.147193  47.32521       2.292490  -8.459991      1.918910  
1 1 1 16 13 6  o 143.5372 1.323254  204.7958       3.637056  201.4645       4.513540  210.9644       6.141870  -3.276215      2.646509  
1 1 1 16 13 7  o 22.23301 1.657528  5.603770       0.6469707 7.150949       0.8262458 3.151754       1.040161  8.999722       3.315056  
1 1 1 16 13 8  o 160.9569 1.536777  257.4511       4.844759  249.8684       6.206947  269.2733       7.750273  -5.972275      3.073553  
1 1 1 16 13 9  o 127.2901 1.324689  162.2349       3.372261  163.8528       4.768095  160.6156       4.770101  1.271667       2.649378  
1 1 1 16 13 10 o 92.53281 0.9459757 86.49535       1.699394  89.25143       2.176726  82.19342       2.719500  3.828621       1.891951  
1 1 1 16 13 11 o 85.75778 1.079276  72.49055       1.584764  71.45643       1.813596  75.83035       3.259210  -2.498650      2.158553  
1 1 1 16 13 12 o 116.7015 1.122496  136.5340       2.526524  136.8722       3.179501  135.9547       4.161659  0.4428329      2.244991  
1 1 1 16 13 13 o 28.82202 1.178044  8.618313       0.6136721 9.050388       0.7363735 7.636040       1.110288  2.481564       2.356088  
1 1 1 16 13 14 o 43.84532 1.143013  19.54956       0.9660359 18.30376       1.566411  20.31422       1.227206  -2.331585      2.286027  
1 1 1 16 13 15 o 34.11217 0.9885446 11.71443       0.6413184 11.79703       0.7941528 11.55960       1.087351  0.3850708      1.977089  
1 1 1 16 13 16 o 61.45783 1.050963  38.26667       1.150697  38.59834       1.352857  37.39896       2.188195  1.139214       2.101926  
1 1 1 16 13 17 o 41.93808 0.9371688 17.67347       0.7626249 17.62453       0.9671971 17.75390       1.239944  -0.9551620E-01 1.874338  
1 1 1 16 13 18 o 26.17804 1.363802  6.987113       0.6713799 7.045330       0.8225704 6.870936       1.162013  0.4660091      2.727603  
1 1 1 16 13 19 o 14.19759 2.562459  2.332970       0.7517986 1.507372       1.171081  2.911750       0.9805262 -4.412951      5.124918  
1 1 1 16 13 20 o 18.70482 1.868909  4.086664       0.6166731 5.160673       0.8060703 2.570949       0.9575862 7.334038       3.737818  
1 1 1 16 13 21 o 6.350205 2.058448  -0.5324439     0.4262106 -0.7368511     0.4655653 0.5255719      1.059201  -4.882338      4.116896  
1 1 1 16 13 22 o 11.07988 4.484487  0.000000       0.000000  ?              ?         1.590048       1.545768  ?              ?         
1 1 1 16 14 0  o 334.5307 4.655261  1135.693       27.37112  1098.890       52.95761  1149.108       31.97276  0.000000       0.000000  
1 1 1 16 14 1  o 294.9926 4.001458  873.1657       18.85238  876.0982       42.24468  872.4365       21.06646  -0.2076111     8.002916  
1 1 1 16 14 2  o 148.0178 1.426471  219.1533       4.177732  218.7048       5.516794  219.7562       6.396812  -0.3415222     2.852943  
1 1 1 16 14 3  o 118.7881 1.177896  141.6650       2.779307  145.8489       3.750958  136.5716       4.138646  3.910400       2.355793  
1 1 1 16 14 4  o 105.1100 1.031635  110.6170       2.099412  110.8912       2.656470  110.1609       3.426393  0.3580017      2.063271  
1 1 1 16 14 5  o 124.5797 1.180172  153.1911       2.791826  148.8177       3.421552  161.9030       4.829166  -5.227570      2.360343  
1 1 1 16 14 6  f 101.1789 1.178018  99.97765       2.055883  97.67697       2.356200  107.3165       4.208223  -4.727875      2.356037  
1 1 1 16 14 7  o 119.4029 1.335370  142.1510       2.982709  141.1375       3.619205  144.2967       5.266128  -1.280144      2.670740  
1 1 1 16 14 8  o 64.97769 0.9426219 37.07401       1.002072  33.78485       1.109328  51.65858       2.335953  -13.72477      1.885244  
1 1 1 16 14 9  o 156.5628 1.500514  245.1926       4.637320  243.4959       6.076941  247.5581       7.175412  -1.254822      3.001028  
1 1 1 16 14 10 o 42.58128 1.014580  16.88078       0.8123165 14.72809       0.9702749 21.92551       1.485330  -8.435101      2.029160  
1 1 1 16 14 11 o 102.1727 1.316651  104.5580       2.605391  104.5131       3.296087  104.6328       4.253513  -0.1451111E-01 2.633302  
1 1 1 16 14 12 o 32.82617 1.114545  10.97420       0.7065157 11.55260       0.9034054 10.06334       1.133681  2.281582       2.229090  
1 1 1 16 14 13 o 88.47876 1.064668  76.90971       1.654302  75.27223       1.914523  81.73516       3.286561  -3.547813      2.129336  
1 1 1 16 14 14 f 20.92519 1.688051  4.427585       0.6988150 3.627253       0.9729428 5.280426       1.004353  -3.944687      3.376103  
1 1 1 16 14 15 o 50.41637 0.9949995 24.52737       0.8961091 23.40602       1.041876  27.71487       1.756598  -4.179409      1.989999  
1 1 1 16 14 16 o 50.43602 0.8673079 25.38750       0.8483051 24.89426       1.070613  26.21953       1.390525  -1.255508      1.734616  
1 1 1 16 14 17 o 13.19327 2.529909  1.402462       0.6090883 0.9492298      0.6875877 3.054363       1.312682  -7.026026      5.059818  
1 1 1 16 14 18 o 19.81939 1.522138  3.889776       0.5712981 3.646594       0.6939444 4.401258       1.006406  -1.745590      3.044277  
1 1 1 16 14 19 o 8.794451 2.561529  0.3621848      0.7207950 0.3965505      1.099929  0.3363198      0.9542407 0.5979271      5.123058  
1 1 1 16 14 20 o 15.09956 2.159426  2.566697       0.6227912 2.729947       0.7971500 2.310943       0.9977583 1.930382       4.318851  
1 1 1 16 14 21 o 14.37466 3.010916  2.608865       0.9341847 3.254055       1.395927  2.085534       1.257208  3.074529       6.021832  
1 1 1 16 14 22 o 6.688204 3.294285  0.000000       0.000000  ?              ?         -2.210992      1.551681  ?              ?         
1 1 1 16 15 0  o 131.2941 2.390248  172.6316       6.271862  172.6316       6.271862  172.6316       6.271862  0.000000       0.000000  
1 1 1 16 15 1  o 134.9047 1.322722  182.3569       3.541634  184.2703       4.738989  179.9364       5.330234  1.615326       2.645444  
1 1 1 16 15 2  o 157.3270 1.610862  247.3456       5.063106  255.8844       7.373236  239.7266       6.964831  5.127075       3.221725  
1 1 1 16 15 3  o 38.86521 0.9559149 15.01318       0.7302276 14.60688       0.9428835 15.62211       1.154291  -1.303425      1.911830  
1 1 1 16 15 4  o 90.15584 0.9436845 81.01173       1.627309  80.30029       2.020191  82.32643       2.746209  -1.113945      1.887369  
1 1 1 16 15 5  o 61.83262 0.9350638 38.24998       1.156272  37.92384       1.639814  38.57250       1.630656  -0.5246620     1.870128  
1 1 1 16 15 6  o 71.10368 0.8544420 49.98401       1.148246  48.81305       1.401833  52.37146       2.001662  -2.492950      1.708884  
1 1 1 16 15 7  o 68.77359 1.014642  48.03786       1.273558  49.11060       1.526268  45.57874       2.310860  2.584808       2.029284  
1 1 1 16 15 8  o 217.4492 2.307904  477.3068       9.517471  483.2248       11.76598  466.1051       16.18756  4.189072       4.615808  
1 1 1 16 15 9  o 128.1822 1.208076  165.6038       3.016166  169.6166       3.875754  159.4418       4.802819  3.999001       2.416151  
1 1 1 16 15 10 o 41.07957 0.9376118 17.46413       0.7261918 18.84690       0.9098918 15.03788       1.205269  4.644897       1.875224  
1 1 1 16 15 11 o 79.70036 0.9088113 63.96043       1.388503  64.95358       1.739201  62.21483       2.305777  1.737175       1.817623  
1 1 1 16 15 12 o 73.03417 0.8831428 53.92405       1.232895  55.21957       1.542480  51.63214       2.051614  2.482819       1.766286  
1 1 1 16 15 13 o 51.19604 1.123226  25.79840       1.011769  25.27360       1.172429  27.32935       2.002481  -1.929493      2.246452  
1 1 1 16 15 14 o 62.53197 1.057177  39.42815       1.262697  39.90326       1.573456  38.56867       2.116300  1.127155       2.114354  
1 1 1 16 15 15 o 8.645468 2.235733  0.1342939      0.5635180 -0.5914718     0.7081641 1.387224       0.9304631 -5.952916      4.471467  
1 1 1 16 15 16 o 24.51716 1.443864  5.823438       0.6525369 5.442359       0.7727312 6.770644       1.218269  -2.571445      2.887727  
1 1 1 16 15 17 o 33.03314 1.133829  10.99063       0.7427964 10.80462       0.9848762 11.23603       1.131205  -0.6081963     2.267658  
1 1 1 16 15 18 f 11.20134 2.506781  1.235560       0.6468503 0.7280887      0.8526344 1.923681       0.9928640 -3.975271      5.013561  
1 1 1 16 15 19 o 19.16956 2.231094  4.079970       0.8028002 3.429831       1.248837  4.537849       1.048040  -3.398214      4.462187  
1 1 1 16 15 20 o 23.09767 1.589306  6.030363       0.6717094 7.789287       0.8927580 3.735504       1.019737  8.906414       3.178612  
1 1 1 16 15 21 o 21.48172 2.377123  5.446229       0.9565912 7.023582       1.353143  3.870363       1.352506  7.629601       4.754245  
1 1 1 16 16 0  o 21.73425 2.787411  5.202938       0.8589225 5.094587       1.855746  5.232478       0.9689581 0.000000       0.000000  
1 1 1 16 16 1  o 170.9036 1.797546  286.0954       5.391381  279.5038       6.234271  305.6479       10.73721  -7.546326      3.595091  
1 1 1 16 16 2  o 96.59853 1.126353  94.59370       1.986994  96.46124       2.380639  90.30508       3.607571  3.204674       2.252706  
1 1 1 16 16 3  o 213.8878 1.916565  456.4876       7.895700  452.0261       9.888167  464.3372       13.11589  -2.790161      3.833131  
1 1 1 16 16 4  o 167.3542 1.597695  278.2931       5.240035  270.3440       6.722277  290.6028       8.365338  -6.012970      3.195390  
1 1 1 16 16 5  o 155.6315 1.494493  242.5580       4.598272  243.0211       6.063803  241.9313       7.053771  0.3756409      2.988987  
1 1 1 16 16 6  o 86.48399 1.062886  74.75297       1.649204  74.64104       1.941669  75.04285       3.124727  -0.2082062     2.125772  
1 1 1 16 16 7  o 160.7297 1.477726  256.9553       4.547192  252.7017       5.641410  264.8443       7.682841  -3.703094      2.955451  
1 1 1 16 16 8  o 200.9440 2.019952  404.8266       8.115025  400.1375       11.30029  409.8199       11.66096  -2.390762      4.039904  
1 1 1 16 16 9  o 68.49776 1.013073  45.32376       1.173267  43.97600       1.330355  50.04103       2.488903  -4.394058      2.026146  
1 1 1 16 16 10 o 144.2628 1.613010  206.2467       4.286440  202.6111       5.121509  214.7493       7.832243  -4.062057      3.226020  
1 1 1 16 16 11 o 112.8330 1.336760  127.0418       2.778930  126.2056       3.329490  128.9619       5.045317  -1.128113      2.673519  
1 1 1 16 16 12 o 18.82259 2.181186  3.512032       0.6660050 3.413254       0.7528014 3.867816       1.428714  -0.7659340     4.362372  
1 1 1 16 16 13 o 14.07360 2.137632  2.599848       0.5731024 3.330827       0.6719206 0.6484067      1.097850  8.271155       4.275265  
1 1 1 16 16 14 o 31.90293 1.066670  10.51007       0.6031446 10.87987       0.7119664 9.570067       1.135120  2.101856       2.133340  
1 1 1 16 16 15 o 59.05084 0.9434346 35.38429       1.063758  36.27359       1.329847  33.80430       1.772577  2.165279       1.886869  
1 1 1 16 16 16 o 55.47289 0.9092918 30.97997       1.006692  33.03262       1.416311  28.88406       1.431160  3.742111       1.818584  
1 1 1 16 16 17 o 11.34850 2.535411  1.338803       0.6173275 1.358598       0.7447760 1.295349       1.103491  -0.1724262     5.070822  
1 1 1 16 16 18 o 37.99028 1.042011  14.67294       0.7834840 15.21838       1.047512  13.98036       1.180377  1.679356       2.084023  
1 1 1 16 16 19 o 19.15123 2.251643  4.007801       0.8271887 4.044059       1.292217  3.982628       1.076697  -0.4168205     4.503286  
1 1 1 16 16 20 o 14.15280 2.289387  2.414119       0.6524854 2.994063       0.8457834 1.561589       1.025466  5.152318       4.578773  
1 1 1 16 16 21 o 7.581808 2.519770  -1.202808      0.9739678 0.1645272      1.512002  -2.172555      1.273339  3.084049       5.039541  
1 1 1 16 17 0  o 12.08837 3.258359  2.022610       0.7624330 2.339950       1.025006  1.629560       1.140742  0.000000       0.000000  
1 1 1 16 17 1  o 87.19044 1.211607  76.16610       2.049718  75.65401       3.324859  76.48002       2.603252  -0.4859695     2.423213  
1 1 1 16 17 2  o 79.01518 1.090591  62.87452       1.685923  64.54570       2.185261  60.41722       2.649852  2.619766       2.181182  
1 1 1 16 17 3  f 98.15868 0.9975914 96.36127       1.889769  96.27406       2.378045  96.51078       3.113105  -0.1095505     1.995183  
1 1 1 16 17 4  o 149.8144 1.386792  223.7953       3.994446  221.5925       4.990096  227.7245       6.664445  -2.008026      2.773584  
1 1 1 16 17 5  o 92.60417 0.9828838 85.51632       1.744494  84.81872       2.171462  86.78604       2.929579  -1.048302      1.965768  
1 1 1 16 17 6  o 43.99203 0.9334763 19.10027       0.7645343 18.66044       0.9202866 20.07997       1.373492  -1.604076      1.866953  
1 1 1 16 17 7  o 65.41389 0.9461983 42.66278       1.230453  41.48373       1.642294  44.17161       1.857815  -2.049370      1.892397  
1 1 1 16 17 8  o 76.03633 1.053013  59.67790       1.551364  69.13695       2.071222  47.58941       2.341471  14.17654       2.106025  
1 1 1 16 17 9  o 104.0383 1.099505  107.4864       2.230915  104.5787       2.836800  112.1995       3.611691  -3.635979      2.199010  
1 1 1 16 17 10 o 129.3682 1.235462  166.7845       3.058938  164.7984       3.797650  170.4536       5.161714  -2.127411      2.470925  
1 1 1 16 17 11 o 68.21610 1.015297  43.28323       1.153721  40.86448       1.293213  52.71557       2.553791  -8.626011      2.030593  
1 1 1 16 17 12 o 80.23526 1.075300  64.66998       1.598912  64.92727       1.929838  64.10668       2.855417  0.5760574      2.150600  
1 1 1 16 17 13 o 80.16119 1.122308  65.23656       1.748546  67.92941       2.250312  61.13330       2.777801  4.297798       2.244615  
1 1 1 16 17 14 o 53.79826 0.8258292 29.39494       0.8392987 30.22478       1.037741  27.82557       1.427091  2.269783       1.651658  
1 1 1 16 17 15 o 24.29665 1.362460  5.867076       0.6321403 5.658294       0.7788270 6.270177       1.082183  -1.184092      2.724919  
1 1 1 16 17 16 o 23.21761 1.408080  5.361798       0.6415647 4.997792       0.8199764 5.936384       1.030207  -1.956604      2.816160  
1 1 1 16 17 17 o 32.20374 1.172058  10.18334       0.7141358 9.599182       0.8671288 11.41478       1.259002  -2.688173      2.344117  
1 1 1 16 17 18 o 9.205046 2.508079  0.6520934      0.6603352 0.8912956      0.8450692 0.2770390      1.058173  0.9681902      5.016157  
1 1 1 16 17 19 o 18.23920 1.976655  3.607220       0.6979631 4.065687       0.9799381 3.135160       0.9943574 2.814749       3.953310  
1 1 1 16 17 20 o 17.90816 2.046464  3.473619       0.7023116 2.646506       0.9330982 4.554523       1.066691  -5.366933      4.092928  
1 1 1 16 17 21 o 18.44880 3.701222  3.399920       1.223610  8.765129       2.846868  2.184182       1.355171  10.98733       7.402445  
1 1 1 16 18 0  o 128.0834 2.039548  167.5406       5.001311  176.3032       6.331896  153.0058       8.154924  0.000000       0.000000  
1 1 1 16 18 1  o 83.16787 0.8715272 69.11760       1.448629  71.08263       2.097529  67.32555       2.003075  2.257492       1.743054  
1 1 1 16 18 2  o 95.78340 1.039792  91.94299       1.981590  93.39770       2.681531  90.19288       2.941220  1.677162       2.079584  
1 1 1 16 18 3  o 102.7560 1.192174  105.9467       2.199058  106.3137       2.593168  105.0072       4.149445  0.6661301      2.384347  
1 1 1 16 18 4  f 113.0041 1.327885  124.3611       2.726773  119.8273       3.211658  136.0682       5.160870  -7.138634      2.655770  
1 1 1 16 18 5  f 158.1736 1.663173  251.0123       4.761847  251.5806       5.644532  249.6095       8.868515  0.7314148      3.326347  
1 1 1 16 18 6  o 38.91108 1.037928  14.44995       0.7841258 12.40643       0.9758908 18.17270       1.317177  -7.400627      2.075857  
1 1 1 16 18 7  o 76.35657 1.012673  58.36373       1.542071  58.58520       2.104964  58.10719       2.265511  0.3171158      2.025345  
1 1 1 16 18 8  o 130.2197 1.240992  170.7472       3.140953  174.0248       4.016330  165.5862       5.039867  3.275620       2.481984  
1 1 1 16 18 9  o 123.8181 1.199385  153.4619       2.856537  153.3217       3.578643  153.7080       4.742172  -0.1104355     2.398770  
1 1 1 16 18 10 o 87.00502 0.9605507 75.56384       1.587420  75.11035       1.956313  76.43798       2.716121  -0.7359848     1.921101  
1 1 1 16 18 11 o 58.14050 1.057130  33.89915       1.039198  33.92908       1.186935  33.80084       2.150826  0.1668739      2.114260  
1 1 1 16 18 12 f 74.34509 1.033737  57.01564       1.387840  59.35676       1.659941  51.57827       2.529735  5.298485       2.067474  
1 1 1 16 18 13 o 12.48824 2.367452  1.491438       0.5559599 1.280840       0.6526425 2.048509       1.061458  -2.879141      4.734904  
1 1 1 16 18 14 o 66.31667 0.8607895 44.63013       1.078702  45.78057       1.333254  42.44979       1.835446  2.567070       1.721579  
1 1 1 16 18 15 o 69.51778 0.9099727 48.67560       1.250100  49.38970       1.652405  47.71989       1.911599  1.247551       1.819945  
1 1 1 16 18 16 o 23.37462 1.458123  5.323305       0.6661254 4.062968       0.8573670 7.242750       1.058063  -6.734613      2.916246  
1 1 1 16 18 17 o 31.21756 1.219774  9.841354       0.7274309 9.791051       0.9030508 9.934314       1.227607  -0.1175919     2.439548  
1 1 1 16 18 18 o 8.757305 2.440434  0.4913436      0.6112273 0.3380831      0.7658132 0.7603229      1.014535  -1.853080      4.880868  
1 1 1 16 18 19 o 11.71473 2.506970  1.600692       0.6420621 1.801121       0.8091556 1.259954       1.055026  1.755463       5.013940  
1 1 1 16 18 20 o 18.01631 2.430333  3.747101       0.8374232 4.036079       1.281066  3.531478       1.106590  1.011732       4.860667  
1 1 1 16 18 21 o 12.98171 3.571966  2.301511       1.239928  2.286876       2.626382  2.305709       1.406544  -0.1525097     7.143932  
1 1 1 16 19 0  o 59.74389 1.461833  35.03882       1.631829  38.10184       2.917067  33.64371       1.968685  0.000000       0.000000  
1 1 1 16 19 1  o 75.29729 0.8487107 56.67990       1.277626  55.42923       1.777084  58.01798       1.838136  -1.718147      1.697421  
1 1 1 16 19 2  o 93.70122 1.151368  87.70601       2.016802  87.43326       2.448052  88.28219       3.558079  -0.4308472     2.302735  
1 1 1 16 19 3  o 149.0932 1.454054  222.3127       4.284008  221.0987       5.632208  223.9791       6.599009  -0.9397583     2.908109  
1 1 1 16 19 4  o 188.0480 1.701733  355.1464       6.218478  358.2359       7.926661  350.2018       10.02775  2.208145       3.403466  
1 1 1 16 19 5  o 66.41780 1.031605  44.74697       1.266827  45.76947       1.533580  42.55027       2.247804  2.440880       2.063211  
1 1 1 16 19 6  o 74.84029 1.074491  56.41473       1.502835  57.07764       1.830620  55.04452       2.631892  1.379517       2.148981  
1 1 1 16 19 7  o 91.39021 1.177542  83.56399       1.988491  83.49281       2.391186  83.72357       3.580372  -0.9001160E-01 2.355083  
1 1 1 16 19 8  o 87.14048 1.135040  74.29097       1.696132  72.72343       1.939372  79.39056       3.498005  -3.772751      2.270080  
1 1 1 16 19 9  o 100.1813 1.197015  99.51031       2.107223  98.44567       2.445421  102.5807       4.152852  -1.995804      2.394029  
1 1 1 16 19 10 o 49.74646 0.9520783 24.80570       0.8718959 24.85533       1.046126  24.69279       1.577829  0.1844025      1.904157  
1 1 1 16 19 11 o 58.08697 1.049797  33.92179       1.101358  34.07282       1.304340  33.54663       2.055750  0.5029030      2.099595  
1 1 1 16 19 12 o 51.34564 0.8976316 26.46595       0.8640168 26.55489       1.053268  26.28297       1.510769  0.3018188      1.795263  
1 1 1 16 19 13 o 40.54990 1.044060  15.13465       0.7259060 13.99565       0.8211422 19.20827       1.552907  -6.346443      2.088121  
1 1 1 16 19 14 o 46.77639 0.8950542 22.04740       0.7669560 22.18553       0.9179055 21.72792       1.395952  0.5532303      1.790108  
1 1 1 16 19 15 o 36.41775 0.9945623 13.20768       0.6584917 13.02229       0.7799845 13.66766       1.228598  -0.7915764     1.989125  
1 1 1 16 19 16 o 51.51569 0.9880140 26.75177       1.013711  27.04058       1.376495  26.40952       1.498468  0.6429749      1.976028  
1 1 1 16 19 17 o 30.50428 1.335904  9.459188       0.8080282 9.443032       1.074713  9.480195       1.225532  0.6072998E-02  2.671809  
1 1 1 16 19 18 o 36.05624 1.088637  13.24883       0.7657626 13.56233       0.9871854 12.77520       1.213381  1.184475       2.177273  
1 1 1 16 19 19 o 15.71105 2.401679  2.789035       0.7352154 2.166344       0.9943461 3.540047       1.092005  -4.120921      4.803359  
1 1 1 16 19 20 o 8.867168 2.634321  0.5085011      0.7816340 0.8160866      0.9132940 -0.3336071     1.511164  0.5961285      5.268642  
1 1 1 16 19 21 o 10.02939 4.736991  0.000000       0.000000  ?              ?         -0.1493151     2.527351  ?              ?         
1 1 1 16 20 0  o 58.17142 1.165742  33.68801       1.344687  31.97138       1.783021  35.95209       2.047680  0.000000       0.000000  
1 1 1 16 20 1  o 173.0796 1.648017  300.3524       5.654377  302.7357       7.529529  297.2702       8.562729  1.610733       3.296035  
1 1 1 16 20 2  o 39.41212 1.026852  15.20476       0.7769446 14.40556       0.9600101 16.72196       1.322721  -2.931507      2.053703  
1 1 1 16 20 3  o 169.7806 1.564879  286.2506       5.083124  280.5655       6.296329  296.8907       8.613714  -4.733093      3.129759  
1 1 1 16 20 4  o 75.50755 1.088217  57.00452       1.564967  56.87948       1.936261  57.24008       2.657665  -0.2201996     2.176435  
1 1 1 16 20 5  o 89.59673 1.187018  80.63689       2.117670  76.75148       3.098221  84.04375       2.901157  -4.075386      2.374035  
1 1 1 16 20 6  o 68.27667 0.9425848 46.47739       1.257625  45.86606       1.609869  47.43466       2.014504  -1.138992      1.885170  
1 1 1 16 20 7  o 56.92638 0.9792012 30.95566       1.079079  26.98560       1.336887  38.37757       1.827907  -9.992126      1.958402  
1 1 1 16 20 8  o 57.73165 0.9347209 32.73578       1.000441  31.75254       1.198105  35.00032       1.818255  -2.794044      1.869442  
1 1 1 16 20 9  o 39.25800 1.060477  14.57879       0.7558174 13.52126       0.8835072 17.46484       1.459541  -5.000645      2.120954  
1 1 1 16 20 10 o 104.7815 1.257114  110.4162       2.332608  110.8513       2.728756  109.2355       4.495146  0.8810349      2.514227  
1 1 1 16 20 11 o 37.11360 1.294447  14.10615       0.9178054 14.88889       1.158275  12.78541       1.504563  2.863106       2.588893  
1 1 1 16 20 12 o 61.90487 0.9686606 38.52568       1.196058  40.87398       1.669119  36.04719       1.714768  3.902927       1.937321  
1 1 1 16 20 13 o 63.34364 0.8836643 40.43478       1.054395  40.84710       1.293631  39.61874       1.819907  1.024670       1.767329  
1 1 1 16 20 14 o 53.59999 0.8840902 28.82687       0.8758994 28.79615       1.053694  28.89557       1.575709  -0.9876251E-02 1.768180  
1 1 1 16 20 15 o 46.51173 0.9107929 21.78000       0.7783060 21.84165       0.9328188 21.63876       1.411967  0.3079910      1.821586  
1 1 1 16 20 16 o 21.94132 1.747339  4.970744       0.7020589 5.032146       0.8424699 4.831196       1.270074  0.6641521      3.494679  
1 1 1 16 20 17 o 26.08974 1.382499  6.946734       0.7170678 6.957350       0.9637404 6.933568       1.073249  0.1025677      2.764998  
1 1 1 16 20 18 o 22.72424 1.700707  5.394058       0.7646038 5.615407       1.023669  5.114734       1.149938  1.202290       3.401415  
1 1 1 16 20 19 o 8.897521 2.459110  0.6567186      0.6387018 0.8592138      0.8115501 0.3271831      1.035283  0.7883053      4.918220  
1 1 1 16 20 20 o 14.28610 3.311039  2.657020       0.8873636 2.711105       0.9300377 2.107905       2.963428  2.014387       6.622078  
1 1 1 16 20 21 o 10.04788 4.264412  0.000000       0.000000  ?              ?         1.027579       1.492081  ?              ?         
1 1 1 16 21 0  f 60.16219 1.149976  35.85761       1.364828  33.70222       1.775688  38.96924       2.133521  0.000000       0.000000  
1 1 1 16 21 1  o 146.6923 1.320769  215.4091       3.874926  215.1523       5.475246  215.6667       5.484713  -0.1750488     2.641537  
1 1 1 16 21 2  o 106.3749 1.242718  114.6480       2.536636  118.4322       3.196809  108.2151       4.168099  4.829018       2.485437  
1 1 1 16 21 3  o 37.92100 0.9930831 14.42343       0.7401341 14.57489       0.9640628 14.20601       1.155050  0.4910164      1.986166  
1 1 1 16 21 4  o 82.27438 0.9944891 67.70493       1.601889  67.57445       2.063364  67.90285       2.541453  -0.1876450     1.988978  
1 1 1 16 21 5  f 82.31631 1.569851  68.89828       2.510074  63.27257       3.969762  72.64564       3.239956  -5.721931      3.139702  
1 1 1 16 21 6  o 77.78014 1.121548  57.98518       1.570462  54.92478       1.832073  66.46476       3.049585  -7.381462      2.243096  
1 1 1 16 21 7  f 93.57711 1.020470  87.88915       1.835253  88.53079       2.301356  86.76825       3.041702  0.9651337      2.040941  
1 1 1 16 21 8  o 88.20438 0.9975047 78.53340       1.696874  80.46355       2.147837  75.32800       2.767890  2.932037       1.995009  
1 1 1 16 21 9  o 101.0368 1.065167  102.3283       2.064504  102.6100       2.579690  101.8266       3.443073  0.4248352      2.130334  
1 1 1 16 21 10 o 52.60869 1.103259  28.39734       1.001843  29.08088       1.162332  26.42207       1.975885  2.580608       2.206519  
1 1 1 16 21 11 o 27.93648 1.385517  7.784483       0.7577038 7.582463       0.9705041 8.099854       1.212586  -0.8988228     2.771034  
1 1 1 16 21 12 o 44.18848 0.9944592 19.23697       0.8285505 18.58070       1.006847  20.61369       1.458296  -2.253620      1.988918  
1 1 1 16 21 13 o 9.363155 2.254786  0.1179876      0.5535863 -0.5767701     0.6540850 1.872252       1.039358  -7.915984      4.509571  
1 1 1 16 21 14 o 58.82430 0.8880206 34.78219       0.9724153 34.84497       1.177622  34.64764       1.724006  0.2562408      1.776041  
1 1 1 16 21 15 o 42.39089 0.9870881 18.99176       0.7530063 20.39595       0.9078320 15.89540       1.348090  5.399673       1.974176  
1 1 1 16 21 16 o 55.10947 1.008601  30.53043       1.109683  33.16121       1.615718  28.18148       1.526719  4.492321       2.017202  
1 1 1 16 21 17 o 28.19561 1.532425  8.000118       0.8566436 9.409680       1.316139  6.964054       1.128374  4.232817       3.064850  
1 1 1 16 21 18 o 17.04790 2.011177  3.118908       0.6616624 3.016418       0.8643461 3.263978       1.028339  -0.2646332     4.022353  
1 1 1 16 21 19 o 8.386539 2.643479  0.6438600E-02  0.8483520 0.3542739      0.9700344 -1.124950      1.749469  -0.1680851     5.286957  
1 1 1 16 21 20 o 10.29700 2.916729  0.8313103      0.9063322 0.1880534      1.136912  1.952858       1.501217  -4.042564      5.833458  
1 1 1 16 22 0  o 26.32655 1.734266  6.799082       0.8764674 5.386965       1.113773  9.095914       1.420449  0.000000       0.000000  
1 1 1 16 22 1  o 26.32101 1.244111  6.974691       0.6507274 7.767979       0.9114867 6.150083       0.9293070 3.073940       2.488222  
1 1 1 16 22 2  o 67.25915 0.9020267 45.46502       1.202495  46.91926       1.611660  43.63878       1.806065  2.443100       1.804053  
1 1 1 16 22 3  o 130.2982 1.299008  169.8799       3.345160  169.3313       4.401826  170.6298       5.146529  -0.4740295     2.598016  
1 1 1 16 22 4  o 217.8595 2.193137  476.1356       9.553155  471.2709       13.32430  481.2815       13.70411  -2.276413      4.386275  
1 1 1 16 22 5  o 114.9715 1.282121  132.3646       2.947359  133.0531       4.126749  131.6477       4.210915  0.6140594      2.564243  
1 1 1 16 22 6  o 50.83874 0.9463494 25.76187       0.9135554 25.53896       1.124725  26.19409       1.566152  -0.6319046     1.892699  
1 1 1 16 22 7  o 107.9225 1.161793  116.7044       2.478921  117.1824       3.271234  116.0597       3.799148  0.5404816      2.323586  
1 1 1 16 22 8  o 152.2418 1.495912  232.5956       4.509244  234.3723       5.981997  230.2576       6.862331  1.399277       2.991825  
1 1 1 16 22 9  f 70.87115 0.9519468 50.64566       1.283504  51.46819       1.593623  49.12699       2.165405  1.678314       1.903894  
1 1 1 16 22 10 o 70.40327 1.109883  49.94695       1.428867  50.34773       1.708489  49.01421       2.606369  1.010628       2.219765  
1 1 1 16 22 11 f 77.31805 0.9396679 60.00584       1.386756  60.20407       1.722611  59.64081       2.337630  0.4183273      1.879336  
1 1 1 16 22 12 o 45.57148 0.9660851 20.85922       0.8253792 20.92067       1.006158  20.73278       1.443237  0.2509079      1.932170  
1 1 1 16 22 13 o 36.26805 1.108930  13.89957       0.7315404 15.05959       0.8909643 11.49962       1.281531  4.969471       2.217860  
1 1 1 16 22 14 f 10.85104 2.437288  0.8468811      0.6096724 0.2471783      0.7362845 2.154926       1.087399  -6.554942      4.874575  
1 1 1 16 22 15 o 14.95871 2.192930  1.987606       0.6605166 0.8321450      0.8109358 4.265184       1.138533  -10.85741      4.385861  
1 1 1 16 22 16 f 19.86041 1.898415  4.055795       0.7507383 4.015415       1.013284  4.104935       1.117803  -0.1683445     3.796831  
1 1 1 16 22 17 o 22.48720 1.586134  5.263503       0.6825770 5.432355       0.8585877 4.973487       1.125232  1.187794       3.172269  
1 1 1 16 22 18 o 9.966612 3.029926  0.3385773      0.7375529 0.2010032      0.7857292 1.358365       2.139239  -5.067311      6.059852  
1 1 1 16 22 19 o 8.976276 2.537008  0.4240677      0.7511454 1.272641       1.060848  -0.4291024     1.063718  3.534131       5.074015  
1 1 1 16 22 20 o 12.35456 3.610923  1.144522       1.303021  3.903843       2.602161  0.2210841      1.505348  6.263462       7.221846  
1 1 1 16 23 0  o 66.86183 1.584680  43.70611       1.927522  47.78155       3.622450  42.09646       2.276569  0.000000       0.000000  
1 1 1 16 23 1  o 42.92822 0.9628609 18.59254       0.8180758 19.74783       1.102599  17.17770       1.220184  2.996338       1.925722  
1 1 1 16 23 2  o 27.82232 1.313960  7.829882       0.7172165 8.208566       0.9410664 7.305119       1.107803  1.629059       2.627920  
1 1 1 16 23 3  o 110.9302 1.169723  123.5480       2.569745  125.9799       3.422533  120.4053       3.890640  2.526665       2.339447  
1 1 1 16 23 4  o 75.87466 1.018041  58.60889       1.510222  63.38345       1.989778  52.12094       2.319485  7.430702       2.036081  
1 1 1 16 23 5  o 104.6445 1.363776  110.6057       2.799470  114.8778       3.661111  104.5913       4.344003  4.942291       2.727552  
1 1 1 16 23 6  o 110.7673 1.134144  123.2170       2.430653  124.3533       3.078073  121.3347       3.961713  1.395004       2.268288  
1 1 1 16 23 7  o 29.09539 1.427932  8.712684       0.7439839 9.022327       0.8836446 7.958705       1.378880  1.851547       2.855865  
1 1 1 16 23 8  o 80.43891 0.9686987 64.34521       1.483051  63.39719       1.827984  66.17091       2.536759  -1.695526      1.937397  
1 1 1 16 23 9  o 54.11321 0.9615472 28.50011       0.9581370 27.28862       1.138218  31.44618       1.774953  -3.803894      1.923094  
1 1 1 16 23 10 o 12.38214 2.741887  1.569478       0.7616073 1.845872       0.9673972 1.118900       1.235167  1.773618       5.483774  
1 1 1 16 23 11 o 20.60028 2.152519  4.301038       0.8844187 4.298329       1.299212  4.303378       1.207348  -0.3255844E-01 4.305039  
1 1 1 16 23 12 o 32.58435 1.223880  10.51733       0.7853094 9.841203       1.012081  11.54034       1.244917  -2.571672      2.447761  
1 1 1 16 23 13 o 54.98490 0.9104474 30.24332       0.9342596 30.03141       1.131455  30.69740       1.656231  -0.5194130     1.820895  
1 1 1 16 23 14 o 43.50619 1.028943  19.00500       0.8692088 18.87144       1.102431  19.22446       1.413113  -0.3387299     2.057886  
1 1 1 16 23 15 o 19.57267 2.145715  4.429642       0.6182380 4.695691       0.6932103 3.395403       1.366768  3.980217       4.291430  
1 1 1 16 23 16 f 34.64162 1.335084  11.44296       0.7252715 10.99965       0.7993208 13.50852       1.725378  -3.195351      2.670167  
1 1 1 16 23 17 o 21.48973 2.884944  4.630615       0.8517365 4.443943       0.9144435 5.853371       2.340381  -1.357128      5.769888  
1 1 1 16 23 18 o 24.78396 1.520881  6.284808       0.7441388 5.641591       0.9626535 7.239810       1.172987  -3.007334      3.041762  
1 1 1 16 23 19 o 22.32591 1.858978  5.293254       0.8195494 4.599437       1.061709  6.316186       1.289157  -3.464052      3.717957  
1 1 1 16 23 20 o 16.59887 4.907061  0.000000       0.000000  ?              ?         4.018648       1.740927  ?              ?         
1 1 1 16 24 0  o 116.3218 1.911829  135.4838       4.180591  135.0496       5.108191  136.3647       7.275203  0.000000       0.000000  
1 1 1 16 24 1  o 174.3418 1.665453  304.6979       5.754167  303.6037       8.739915  305.5351       7.644828  -0.6010742     3.330907  
1 1 1 16 24 2  o 186.4821 2.125683  347.7905       7.723859  343.9378       9.842075  353.9677       12.46236  -2.542480      4.251366  
1 1 1 16 24 3  o 134.5527 1.336014  181.6120       3.571983  178.4270       5.340183  184.1909       4.805163  -2.161621      2.672028  
1 1 1 16 24 4  o 77.55077 1.061392  60.24414       1.644278  63.66618       2.326304  56.82766       2.324418  4.409004       2.122784  
1 1 1 16 24 5  o 98.60715 1.061415  97.01122       2.013939  96.16293       2.519379  98.51282       3.351945  -1.163109      2.122830  
1 1 1 16 24 6  o 68.44602 1.118811  45.72537       1.334528  44.55560       1.536560  49.31697       2.692429  -3.434937      2.237622  
1 1 1 16 24 7  o 46.18105 1.205555  21.14806       0.9394869 20.96733       1.069631  21.75814       1.965215  -0.8160362     2.411111  
1 1 1 16 24 8  o 20.31940 2.032732  4.361222       0.7263442 4.589971       0.8750901 3.854592       1.302321  2.142937       4.065463  
1 1 1 16 24 9  o 30.84213 1.472271  8.991662       0.7952228 8.448244       0.9115553 10.72241       1.626795  -3.618698      2.944543  
1 1 1 16 24 10 o 52.82776 0.9600247 27.14384       0.9303142 25.97126       1.101790  30.05628       1.736417  -3.810127      1.920049  
1 1 1 16 24 11 o 38.66037 1.101308  14.98162       0.7790278 14.95378       0.9296250 15.04728       1.427662  -0.6413651E-01 2.202616  
1 1 1 16 24 12 o 41.20139 1.086040  16.96469       0.8593879 16.74630       1.071519  17.35849       1.438820  -0.6903229     2.172081  
1 1 1 16 24 13 o 15.04643 2.204750  2.095441       0.6426512 1.285122       0.7891095 3.691401       1.107440  -7.903028      4.409501  
1 1 1 16 24 14 o 16.42070 2.439759  2.950076       0.6431617 3.027287       0.7192253 2.641870       1.436966  1.725140       4.879518  
1 1 1 16 24 15 o 39.91045 1.261457  15.67775       0.7938265 15.39898       0.8802019 16.89263       1.837517  -1.539227      2.522915  
1 1 1 16 24 16 o 8.488593 2.336141  0.4581932      0.6236720 0.9856782      0.6931486 -1.784439      1.429224  2.524723       4.672282  
1 1 1 16 24 17 o 12.69423 2.578937  1.616271       0.6990156 0.9756611      0.8755377 2.742458       1.160870  -5.598692      5.157874  
1 1 1 16 24 18 o 8.861490 2.547999  0.4825123      0.6904349 0.2632321      0.8743870 0.8456529      1.125230  -2.002168      5.095997  
1 1 1 16 24 19 o 7.618053 2.424072  -0.1864058     0.7804585 0.1728848      0.9871960 -0.7852705     1.274515  0.5208817      4.848145  
1 1 1 16 24 20 o 12.84057 4.798972  0.000000       0.000000  ?              ?         2.493958       1.657313  ?              ?         
1 1 1 16 25 0  o 112.1191 1.541461  125.8490       3.450900  123.1528       4.767997  128.8150       5.000953  0.000000       0.000000  
1 1 1 16 25 1  o 144.3246 1.417531  208.2550       4.043805  211.0746       6.232012  206.2045       5.314545  1.650375       2.835062  
1 1 1 16 25 2  o 37.37734 1.152210  13.96991       0.8227338 14.04055       1.388309  13.93167       1.021414  0.1333809      2.304419  
1 1 1 16 25 3  o 107.8683 1.139300  116.5931       2.441571  115.5572       3.661850  117.4222       3.276075  -0.8780289     2.278599  
1 1 1 16 25 4  o 149.7638 1.477746  225.2091       4.385706  228.3144       5.843283  221.2030       6.636886  2.412445       2.955491  
1 1 1 16 25 5  o 97.33177 1.003498  94.83250       1.953256  95.28309       2.747150  94.37182       2.777748  0.4691620      2.006997  
1 1 1 16 25 6  o 158.3029 1.493140  249.4170       4.523551  245.2125       5.609312  257.2369       7.649902  -3.685303      2.986279  
1 1 1 16 25 7  o 129.3102 1.276976  165.4719       3.132965  161.1187       3.838373  174.1608       5.422808  -4.948517      2.553952  
1 1 1 16 25 8  f 72.00447 1.015773  52.56579       1.438529  56.04679       1.909386  47.99617       2.187666  5.608467       2.031545  
1 1 1 16 25 9  o 49.52622 1.138598  23.88607       0.9598988 23.26980       1.092765  25.96811       2.008566  -2.644047      2.277196  
1 1 1 16 25 10 o 31.31808 1.728398  10.14786       1.054153  11.99413       1.435915  7.989613       1.552496  6.413410       3.456797  
1 1 1 16 25 11 f 39.81012 1.249764  16.03243       0.9175340 16.19549       1.105023  15.67043       1.646476  0.7385941      2.499528  
1 1 1 16 25 12 o 18.23616 2.345481  3.826655       0.6725852 4.101447       0.7638685 2.878638       1.418811  3.856396       4.690961  
1 1 1 16 25 13 o 20.52425 2.177505  4.747209       0.6705728 4.987370       0.7542759 3.841714       1.464606  3.421333       4.355010  
1 1 1 16 25 14 f 19.03490 1.850077  4.029518       0.6169191 4.560457       0.7622517 3.021379       1.050355  4.409735       3.700154  
1 1 1 16 25 15 o 21.75577 1.607102  4.981614       0.6630642 5.386466       0.8378192 4.302988       1.084720  2.600071       3.214203  
1 1 1 16 25 16 o 28.10348 1.328939  7.179212       0.6604818 6.313535       0.7545252 10.01706       1.366127  -6.268873      2.657878  
1 1 1 16 25 17 o 25.95869 1.522338  7.018802       0.7739808 7.080379       1.002126  6.927766       1.218462  0.4909458      3.044676  
1 1 1 16 25 18 o 27.61688 1.469127  8.026106       0.8054017 8.364570       1.091024  7.620775       1.193940  1.463947       2.938254  
1 1 1 16 25 19 o 20.06042 2.362774  4.735436       0.8915994 3.155087       1.231193  6.478146       1.292892  -8.397421      4.725548  
1 1 1 16 26 0  f 77.58734 1.484795  61.12571       2.269995  54.33778       3.370267  66.76194       3.071070  0.000000       0.000000  
1 1 1 16 26 1  o 52.86425 0.8866114 27.97279       0.9370686 27.67160       1.338855  28.26200       1.311984  -0.5591698     1.773223  
1 1 1 16 26 2  o 102.2528 1.109131  104.1604       2.237557  107.7317       3.487435  101.6617       2.917151  2.947624       2.218261  
1 1 1 16 26 3  o 108.8579 1.157248  118.8352       2.501870  117.0370       3.752424  120.2742       3.356883  -1.502159      2.314497  
1 1 1 16 26 4  o 161.9040 1.570503  262.0443       5.019784  258.4003       6.569618  267.1566       7.781300  -2.638718      3.141006  
1 1 1 16 26 5  o 107.7522 1.153226  116.2401       2.461500  116.4679       3.750858  116.0677       3.262237  0.1647873      2.306452  
1 1 1 16 26 6  f 131.9072 1.351231  174.8251       3.537102  178.0378       4.741460  170.7938       5.311345  2.780304       2.702462  
1 1 1 16 26 7  o 22.94738 1.849558  5.314413       0.8136206 5.359258       1.017514  5.234900       1.354879  0.3086433      3.699116  
1 1 1 16 26 8  f 26.00154 1.643497  6.941948       0.8282371 7.500778       1.074769  6.124848       1.299610  2.670536       3.286994  
1 1 1 16 26 9  o 74.38284 0.9788035 55.89756       1.389236  56.93680       1.732021  54.02292       2.326235  2.013306       1.957607  
1 1 1 16 26 10 o 87.88229 1.009529  77.47280       1.699176  77.48340       2.117708  77.45364       2.846987  0.9400940E-01  2.019058  
1 1 1 16 26 11 o 69.69707 0.9373209 48.57898       1.236362  48.25507       1.517670  49.21807       2.131807  -0.6162720     1.874642  
1 1 1 16 26 12 o 17.21658 2.226078  3.168980       0.7112643 3.355212       0.8899582 2.839708       1.183368  1.920383       4.452155  
1 1 1 16 26 13 o 18.72430 2.455508  3.656908       0.7144266 3.630676       0.7954057 3.766411       1.625158  0.4108257      4.911015  
1 1 1 16 26 14 o 17.53552 2.227043  2.906642       0.6351901 2.651786       0.7107418 3.917835       1.415735  -2.810009      4.454086  
1 1 1 16 26 15 o 24.80150 1.599883  6.581746       0.7164700 7.014953       0.8648905 5.634273       1.279077  3.009964       3.199767  
1 1 1 16 26 16 o 14.82905 2.361479  2.592997       0.6193815 2.835942       0.7136679 1.851465       1.246828  3.612563       4.722959  
1 1 1 16 26 17 o 30.13812 1.348337  8.977217       0.7161473 8.530360       0.8266077 10.32205       1.434003  -2.426298      2.696673  
1 1 1 16 26 18 o 21.77031 2.027151  5.268163       0.8549190 5.588721       1.108020  4.796582       1.343916  2.205538       4.054302  
1 1 1 16 26 19 o 15.05632 3.477969  3.164266       1.191826  3.087794       1.532098  3.281459       1.896656  0.5360508E-01  6.955938  
1 1 1 16 27 0  o 164.0459 2.596047  269.5648       7.946249  272.6525       14.04617  268.1114       9.636549  0.000000       0.000000  
1 1 1 16 27 1  o 46.32025 1.147583  21.47000       1.054393  21.58145       1.598724  21.38420       1.402704  0.2053299      2.295167  
1 1 1 16 27 2  f 23.30602 1.782978  5.453780       0.8301384 5.306497       1.192417  5.592300       1.156397  -0.6153545     3.565955  
1 1 1 16 27 3  o 139.2284 1.390443  193.5875       3.816487  190.5576       4.975067  197.9203       5.949317  -2.596252      2.780887  
1 1 1 16 27 4  o 149.8382 1.474980  224.4061       4.358401  221.3055       5.688335  228.8142       6.782421  -2.444000      2.949960  
1 1 1 16 27 5  o 143.5459 1.321694  206.4479       3.793279  204.0888       5.286873  208.9510       5.445663  -1.684143      2.643389  
1 1 1 16 27 6  o 101.9485 1.140915  104.8209       2.300149  109.1506       3.070520  99.28436       3.472191  4.865654       2.281830  
1 1 1 16 27 7  o 68.63203 1.109673  46.89746       1.344432  46.54802       1.565496  47.87933       2.624160  -0.8950500     2.219347  
1 1 1 16 27 8  o 75.40186 0.9833099 57.08959       1.421274  57.33588       1.775141  56.64973       2.372241  0.5065384      1.966620  
1 1 1 16 27 9  o 18.82081 2.506228  3.602172       0.8623431 3.473795       1.039846  3.884911       1.543189  -0.5797520     5.012455  
1 1 1 16 27 10 o 18.27388 2.495667  3.472255       0.8052211 3.468411       0.9483711 3.482183       1.524171  0.4911594      4.991334  
1 1 1 16 27 11 f 56.72328 1.092084  32.40782       1.070227  32.45878       1.235163  32.25432       2.143736  0.3402290      2.184168  
1 1 1 16 27 12 o 15.81800 2.385079  2.839936       0.7069049 3.264519       0.8695193 2.012275       1.214016  4.183165       4.770158  
1 1 1 16 27 13 o 34.34387 1.384332  12.09452       0.8156885 12.24618       0.9413248 11.63741       1.634251  1.096344       2.768665  
1 1 1 16 27 14 o 50.03081 0.9948191 24.82007       0.9115496 24.22832       1.083111  26.25692       1.687755  -1.858177      1.989638  
1 1 1 16 27 15 o 15.65767 2.320886  2.473363       0.6397549 2.231182       0.7453077 3.151362       1.247037  -2.383660      4.641771  
1 1 1 16 27 16 o 17.74685 2.120362  3.341463       0.6608198 3.266701       0.7805951 3.530560       1.241454  0.5068398E-01  4.240724  
1 1 1 16 27 17 o 20.13466 1.855536  4.073360       0.6769071 3.761375       0.7914542 4.923274       1.306310  -2.251600      3.711072  
1 1 1 16 27 18 f 8.297850 2.622077  -0.9008618E-02 0.8681704 0.8303780E-01  1.096666  -0.1635381     1.420944  -0.5066118     5.244153  
1 1 1 16 27 19 o 8.704695 2.848684  -0.1737906     1.151015  0.2341565      1.393019  -1.051641      2.043457  0.5597305E-01  5.697369  
1 1 1 16 28 0  o 156.7150 2.012364  246.0523       6.296463  240.0884       8.675759  252.6896       9.152435  0.000000       0.000000  
1 1 1 16 28 1  o 121.2295 1.261383  147.5728       3.036553  143.9897       4.544764  150.4622       4.081209  -2.690887      2.522766  
1 1 1 16 28 2  o 89.28094 1.069437  79.63451       1.881812  80.82391       2.931443  78.80081       2.454257  1.113625       2.138873  
1 1 1 16 28 3  o 89.83876 0.9741614 80.73711       1.749018  79.29933       2.418483  82.31356       2.532419  -1.672997      1.948323  
1 1 1 16 28 4  o 79.47446 1.009196  62.96514       1.578132  61.71569       2.045795  64.80122       2.479984  -1.920319      2.018392  
1 1 1 16 28 5  o 110.3048 1.184323  121.4082       2.571486  118.9430       3.336472  125.0152       4.035769  -2.703178      2.368646  
1 1 1 16 28 6  o 63.99115 1.048499  39.64776       1.258709  37.25961       1.514208  44.98833       2.264371  -5.987762      2.096998  
1 1 1 16 28 7  o 96.09148 1.255878  93.12370       2.245692  93.91447       2.723355  91.44350       3.969696  1.412453       2.511756  
1 1 1 16 28 8  o 49.47929 1.199710  24.18725       1.055165  23.73455       1.230406  25.44564       2.051415  -1.632580      2.399420  
1 1 1 16 28 9  o 54.38593 1.098785  29.33923       1.036173  28.99495       1.193958  30.38967       2.085561  -1.179333      2.197570  
1 1 1 16 28 10 o 97.09688 1.065962  94.49712       1.986580  94.02911       2.479665  95.33580       3.319458  -0.5549545     2.131924  
1 1 1 16 28 11 o 73.68276 0.9758524 54.73042       1.365733  55.11378       1.688937  54.00616       2.321446  0.8629761      1.951705  
1 1 1 16 28 12 o 45.02991 1.100281  20.66166       0.9505456 21.31697       1.197675  19.54635       1.562465  2.049267       2.200561  
1 1 1 16 28 13 o 45.12109 1.471953  19.26403       0.9565269 18.67306       1.032847  22.82530       2.535456  -4.047768      2.943905  
1 1 1 16 28 14 o 19.70301 1.882158  4.010170       0.6996285 4.031469       0.8599634 3.968477       1.203172  0.3530464      3.764316  
1 1 1 16 28 15 o 25.28573 1.484459  6.308764       0.7137550 5.809258       0.8684732 7.348273       1.252853  -2.813887      2.968919  
1 1 1 16 28 16 f 15.70813 2.508390  2.426145       0.6839262 2.009686       0.7814993 3.788519       1.413484  -4.534608      5.016781  
1 1 1 16 28 17 o 28.72211 1.529427  9.290373       0.8057697 10.98108       1.027276  6.586830       1.299029  7.951567       3.058854  
1 1 1 16 28 18 o 11.26496 2.991931  1.404320       0.9470829 0.7147563      1.306203  2.168674       1.375215  -3.281143      5.983862  
1 1 1 16 28 19 o 14.63049 3.134921  3.258380       1.022207  3.551835       1.191436  2.439850       1.989836  4.143193       6.269842  
1 1 1 16 29 0  o 106.8387 1.880046  115.3260       3.779211  116.7954       4.641955  112.4372       6.508410  0.000000       0.000000  
1 1 1 16 29 1  o 129.6916 1.226306  168.5175       3.180815  169.1823       4.506044  167.8571       4.490699  0.5100555      2.452611  
1 1 1 16 29 2  o 84.34299 0.9538531 71.22877       1.608927  71.94347       2.272285  70.51017       2.278461  0.8499603      1.907706  
1 1 1 16 29 3  o 50.22622 1.048385  25.41244       1.035418  24.44907       1.602614  26.10270       1.356558  -1.660076      2.096770  
1 1 1 16 29 4  o 18.28803 2.125495  3.370307       0.7430369 2.448101       0.9890137 4.565378       1.125862  -6.024742      4.250991  
1 1 1 16 29 5  o 75.24213 0.9904449 56.02686       1.462425  53.35616       1.874506  60.18063       2.337737  -4.505013      1.980890  
1 1 1 16 29 6  o 13.43707 2.695219  1.942668       0.8083113 2.640830       1.040369  0.8793706      1.283917  4.822792       5.390438  
1 1 1 16 29 7  o 33.74260 1.287727  11.84997       0.7956862 12.55142       0.9664156 10.37376       1.401961  3.279675       2.575454  
1 1 1 16 29 8  o 76.54797 1.035635  58.97337       1.566433  60.07092       2.072076  57.50957       2.392951  1.707970       2.071270  
1 1 1 16 29 9  o 54.03790 0.9712592 29.03703       0.9996270 28.45456       1.231717  30.16093       1.710952  -1.519535      1.942518  
1 1 1 16 29 10 o 36.64521 1.171092  13.61271       0.7925289 13.76361       0.9558631 13.28081       1.417597  0.7529449      2.342185  
1 1 1 16 29 11 o 29.84916 1.359548  9.529083       0.7360441 10.43448       0.8985319 7.682286       1.283289  4.716778       2.719097  
1 1 1 16 29 12 o 28.45383 1.506288  8.088608       0.8334445 7.703843       1.050668  8.741640       1.368784  -1.715374      3.012575  
1 1 1 16 29 13 o 24.49403 1.562974  6.323222       0.6983709 6.663308       0.8454589 5.592781       1.239054  2.355873       3.125948  
1 1 1 16 29 14 o 34.65589 1.231089  11.93465       0.7776080 11.56394       0.9195896 12.86487       1.456708  -1.631897      2.462179  
1 1 1 16 29 15 o 26.46458 1.477519  6.600880       0.7253904 5.754124       0.8559620 8.758744       1.366431  -5.379307      2.955039  
1 1 1 16 29 16 o 22.09499 1.982767  4.902781       0.7283875 4.634476       0.8187659 5.920794       1.594861  -1.890524      3.965533  
1 1 1 16 29 17 o 12.73591 3.100351  1.980928       0.9298265 1.993999       1.139766  1.954918       1.607784  0.1061392      6.200703  
1 1 1 16 29 18 o 15.28285 2.985805  2.972829       0.9422757 2.510998       1.256075  3.567243       1.425013  -2.653023      5.971610  
1 1 1 16 30 0  o 91.54015 1.409719  84.06907       2.575865  84.42049       3.571960  83.68832       3.718078  0.000000       0.000000  
1 1 1 16 30 1  f 129.3157 1.321590  167.5231       3.381235  166.3658       4.458972  169.0890       5.186684  -0.9949951     2.643180  
1 1 1 16 30 2  o 18.17820 2.138577  3.488443       0.7371213 4.193199       1.004732  2.666955       1.084755  4.487234       4.277153  
1 1 1 16 30 3  o 45.52957 0.9734448 20.68455       0.8846766 19.27402       1.208557  22.31291       1.298526  -3.331558      1.946890  
1 1 1 16 30 4  o 22.51321 1.672123  5.124662       0.7199345 5.197852       0.8990802 4.993872       1.201885  0.4866638      3.344246  
1 1 1 16 30 5  o 65.84647 0.9972937 43.46034       1.296393  43.45563       2.000396  43.46375       1.702237  -0.3097534E-01 1.994587  
1 1 1 16 30 6  o 66.52582 0.9640537 44.33780       1.274579  44.65414       1.916295  44.08682       1.706879  0.4067917      1.928107  
1 1 1 16 30 7  o 32.83533 1.034104  10.81552       0.6790615 10.78036       0.9544190 10.85158       0.9663686 -0.1071510     2.068208  
1 1 1 16 30 8  o 40.49179 1.106550  16.50988       0.8450598 16.60097       1.036909  16.32971       1.458284  0.3910065      2.213100  
1 1 1 16 30 9  o 56.82581 0.9783817 32.54247       1.058443  32.82087       1.312739  32.02519       1.789341  0.7686844      1.956763  
1 1 1 16 30 10 o 67.41617 0.9763057 46.01384       1.250037  46.77416       1.549603  44.59724       2.115174  1.716911       1.952611  
1 1 1 16 30 11 o 24.12624 1.583294  5.857963       0.7062629 5.777761       0.8477095 6.039967       1.277014  -0.4022636     3.166589  
1 1 1 16 30 12 f 16.38221 2.524981  2.945918       0.7792724 3.132063       0.9570760 2.579772       1.342292  2.148843       5.049961  
1 1 1 16 30 13 o 48.25246 1.129360  23.31997       1.079842  22.09451       1.418859  25.00686       1.664684  -2.937008      2.258720  
1 1 1 16 30 14 o 17.76554 2.134978  3.261273       0.6950167 3.081483       0.8407215 3.649395       1.235242  -0.9709110     4.269957  
1 1 1 16 30 15 o 22.71273 1.871827  5.896227       0.7446063 6.603061       0.9012431 4.376075       1.321681  5.320757       3.743653  
1 1 1 16 30 16 o 9.424908 2.828017  0.4189890      0.9298273 0.2187376      1.342258  0.6037477      1.289290  -0.5563393     5.656034  
1 1 1 16 30 17 o 33.77858 1.608319  12.03366       1.076983  11.12020       1.414263  13.29460       1.661633  -2.850918      3.216639  
1 1 1 16 30 18 o 12.47781 3.307437  1.859895       0.9227378 1.575888       1.019601  3.145181       2.169032  -2.701880      6.614874  
1 1 1 16 31 0  o 18.07806 3.175658  3.811756       0.9784541 3.704778       1.273004  3.966192       1.529532  0.000000       0.000000  
1 1 1 16 31 1  o 36.58018 1.101133  13.36793       0.8042459 12.45139       1.103367  14.40688       1.174735  -2.667709      2.202265  
1 1 1 16 31 2  f 61.42094 0.9060487 37.77309       1.112797  38.78769       1.588696  36.79583       1.559183  1.619656       1.812097  
1 1 1 16 31 3  o 43.08552 1.172238  18.74699       0.9650780 19.06372       1.204670  18.17955       1.612463  1.062382       2.344476  
1 1 1 16 31 4  o 29.45273 1.235610  8.731381       0.7258920 9.193058       1.009378  8.236862       1.044663  1.627203       2.471219  
1 1 1 16 31 5  o 34.50800 1.267594  11.93247       0.8404602 11.85738       1.050161  12.06627       1.401749  -0.2589989     2.535189  
1 1 1 16 31 6  o 49.30997 1.039422  24.65244       0.9988828 23.16966       1.576621  25.64673       1.291056  -2.542637      2.078844  
1 1 1 16 31 7  o 40.33723 1.045491  16.13805       0.8307928 17.40675       1.311816  15.28840       1.073522  2.596470       2.090982  
1 1 1 16 31 8  o 7.958784 2.491931  -0.3194064     0.7661399 -0.3548420     0.9784989 -0.2632653     1.231630  -1.171054      4.983861  
1 1 1 16 31 9  o 19.52056 2.249879  4.150174       0.8164979 4.862073       1.071720  3.165351       1.260524  4.720493       4.499759  
1 1 1 16 31 10 o 32.45721 1.403415  10.85567       0.8902739 11.83652       1.176871  9.543456       1.361228  3.587257       2.806829  
1 1 1 16 31 11 o 15.62520 2.836223  2.722626       0.8794274 2.966269       1.107396  2.306601       1.447057  1.987442       5.672445  
1 1 1 16 31 12 o 47.33273 1.143004  22.91669       1.061798  24.32709       1.401105  21.01393       1.627394  3.573555       2.286008  
1 1 1 16 31 13 o 13.75881 2.699051  2.166363       0.8054135 2.790145       1.059605  1.312817       1.239484  4.357275       5.398102  
1 1 1 16 31 14 o 24.92213 1.884407  6.448694       0.9392179 6.461253       1.322295  6.435906       1.334296  0.5946159E-01  3.768813  
1 1 1 16 31 15 o 25.58949 1.597468  6.517796       0.7810104 5.783396       0.9516326 8.033108       1.366954  -3.960590      3.194936  
1 1 1 16 31 16 o 24.65323 2.056979  6.772130       0.8378351 6.899746       0.9581494 6.357553       1.726958  2.254887       4.113958  
1 1 1 16 31 17 o 12.73983 2.901676  2.271525       1.034069  3.162640       1.177425  -0.7340837     2.162383  6.579051       5.803351  
1 1 1 16 31 18 o 11.53182 3.279317  1.639111       1.014534  1.435756       1.146213  2.374753       2.180077  -1.771056      6.558634  
1 1 1 16 32 0  f 78.06345 1.334102  61.10520       2.078120  59.65367       2.863392  62.72064       3.020727  0.000000       0.000000  
1 1 1 16 32 1  o 73.64964 0.9140630 54.34308       1.346214  55.05605       1.923899  53.65909       1.884385  0.9452057      1.828126  
1 1 1 16 32 2  o 48.57467 1.029446  23.68532       0.9895120 23.83715       1.309971  23.48357       1.510016  0.3828468      2.058893  
1 1 1 16 32 3  o 8.468815 2.386574  0.2397740      0.6369608 -0.2776284     0.8840250 0.7983969      0.9185646 -2.701953      4.773148  
1 1 1 16 32 4  o 29.21586 1.592896  8.231318       0.8273212 7.828428       0.9586443 9.407080       1.637663  -2.592293      3.185792  
1 1 1 16 32 5  o 7.568752 2.404989  -0.3829803     0.7220384 -0.2993289E-01 0.8472531 -1.319668      1.380048  -0.2515917     4.809979  
1 1 1 16 32 6  o 75.88231 0.9843994 57.56333       1.480023  59.23147       2.266738  56.32368       1.954037  1.879570       1.968799  
1 1 1 16 32 7  o 30.06081 1.139297  9.042542       0.6835267 8.426680       0.9321406 9.758877       1.005306  -2.204773      2.278594  
1 1 1 16 32 8  o 47.90897 1.043981  23.15498       0.9464167 23.30999       1.165620  22.85509       1.621306  0.5605507      2.087963  
1 1 1 16 32 9  o 9.635407 2.633561  0.5702968      0.7583219 1.120111       1.031230  -0.7708789E-01 1.118997  2.515221       5.267123  
1 1 1 16 32 10 o 47.84225 1.070680  23.40603       0.9762517 24.30261       1.222569  21.82832       1.621784  2.677216       2.141361  
1 1 1 16 32 11 o 11.77595 2.566346  1.533275       0.6833892 1.895980       0.8237640 0.7326227      1.223905  2.971264       5.132692  
1 1 1 16 32 12 o 17.56380 2.496853  3.316705       0.8404247 3.109001       1.113025  3.592200       1.281857  -1.209478      4.993706  
1 1 1 16 32 13 o 30.57586 1.493891  9.740273       0.8892857 10.47106       1.161921  8.706838       1.381726  3.007029       2.987781  
1 1 1 16 32 14 o 13.16340 2.551262  1.773530       0.6673199 1.318995       0.8107139 2.728569       1.175152  -4.452107      5.102524  
1 1 1 16 32 15 f 13.70624 2.981933  2.145021       0.8014776 2.083005       0.9064835 2.367148       1.715559  -0.4480305     5.963865  
1 1 1 16 32 16 o 17.75182 2.794777  3.463353       0.9922472 3.463353       0.9922472 ?              ?         ?              ?         
1 1 1 16 32 17 o 9.977222 2.875981  0.9109609      0.9222852 1.263204       1.230413  0.4592520      1.393347  1.300182       5.751961  
1 1 1 16 33 0  o 9.081490 3.471093  1.031702       1.068763  1.917261       1.240425  -1.520110      2.105648  0.000000       0.000000  
1 1 1 16 33 1  o 38.29569 1.133129  14.70904       0.8619599 14.81050       1.298979  14.62923       1.152173  0.2197990      2.266259  
1 1 1 16 33 2  o 51.69257 0.9121463 26.78659       0.9430193 26.72833       1.334666  26.84467       1.332598  -0.1127243     1.824293  
1 1 1 16 33 3  o 18.09116 2.262737  3.343451       0.7748524 3.240276       0.9764358 3.518919       1.273375  -0.3785400     4.525474  
1 1 1 16 33 4  o 32.95341 1.105234  10.89988       0.7279963 10.90471       1.012482  10.89472       1.047495  0.1932907E-01  2.210468  
1 1 1 16 33 5  o 10.51219 2.790490  0.8467385      0.7896445 0.7232444      1.048232  1.008765       1.200680  -1.123596      5.580981  
1 1 1 16 33 6  o 31.75219 1.145571  10.14469       0.7262723 10.78967       1.025225  9.494956       1.028993  2.039360       2.291141  
1 1 1 16 33 7  o 19.90074 1.742739  4.075894       0.6838690 4.637969       0.9416115 3.448453       0.9948573 3.005257       3.485479  
1 1 1 16 33 8  f 8.576429 2.383610  0.4541048      0.5974106 0.3568238      0.8076774 0.5716217      0.8877153 -0.8462219     4.767219  
1 1 1 16 33 9  o 45.69188 1.314685  21.25471       1.136910  21.60966       1.404653  20.58051       1.935913  1.271183       2.629369  
1 1 1 16 33 10 o 53.31394 1.528939  28.75762       1.372993  28.64764       1.565151  29.12484       2.859953  0.2007294E-01  3.057878  
1 1 1 16 33 11 o 50.68352 1.221320  25.76931       1.183598  25.23479       1.465450  26.77221       2.007334  -1.329800      2.442640  
1 1 1 16 33 12 o 19.40638 2.426556  4.487222       0.7798669 4.971882       0.9157997 3.208392       1.487609  5.281004       4.853111  
1 1 1 16 33 13 f 17.68738 2.659464  3.124074       0.7689158 2.907833       0.8578907 4.007342       1.733840  -1.855793      5.318929  
1 1 1 16 33 14 o 6.395276 2.186494  -1.183459      0.7252059 -1.048066      0.8403181 -1.578588      1.435538  -1.717532      4.372988  
1 1 1 16 33 15 o 14.23912 2.664832  2.705828       0.7995544 3.165891       0.9149386 1.219101       1.644746  5.789547       5.329664  
1 1 1 16 33 16 o 8.046638 2.610380  -0.4782857     0.8191751 -0.8160530     0.9484431 0.5136690      1.625356  -3.749323      5.220761  
1 1 1 16 33 17 f 11.49212 3.124652  1.723493       1.007217  1.262924       1.323360  2.357644       1.552842  -2.320926      6.249304  
1 1 1 16 34 0  o 134.1140 1.806756  180.8954       4.841628  184.0292       6.916939  177.8851       6.779327  0.000000       0.000000  
1 1 1 16 34 1  o 71.99591 0.9185125 51.95542       1.322441  51.09711       1.854531  52.84340       1.886301  -1.209648      1.837025  
1 1 1 16 34 2  o 32.06065 1.425262  10.30064       0.8916346 10.14919       1.138166  10.54125       1.434596  -0.5649242     2.850524  
1 1 1 16 34 3  o 33.13457 1.207453  10.96216       0.7962327 11.73077       1.200114  10.35781       1.064186  2.052029       2.414906  
1 1 1 16 34 4  o 35.05483 1.253576  12.40430       0.8482128 12.18402       1.389100  12.53527       1.071079  -0.5521202     2.507152  
1 1 1 16 34 5  o 10.62114 2.571110  1.049909       0.6588217 1.279091       0.9765677 0.8584771      0.8925233 1.463728       5.142219  
1 1 1 16 34 6  o 47.81966 0.9837378 22.74066       0.9301980 24.53312       1.448232  21.48188       1.213638  3.148102       1.967476  
1 1 1 16 34 7  o 64.49095 0.9729474 41.76218       1.241671  42.15237       1.902934  41.47287       1.638551  0.4758911      1.945895  
1 1 1 16 34 8  o 48.56220 1.020155  23.64358       0.9837820 24.42540       1.492735  23.04325       1.308043  1.383415       2.040310  
1 1 1 16 34 9  o 24.26892 1.914114  6.110258       0.7962614 6.188911       0.9193067 5.874020       1.593235  0.9363480      3.828227  
1 1 1 16 34 10 o 41.54187 1.165045  17.75281       0.8999924 18.31965       1.098267  16.59400       1.570317  2.231506       2.330090  
1 1 1 16 34 11 o 18.17297 2.160400  3.306998       0.7133467 2.998561       0.8503644 4.039543       1.310506  -2.212166      4.320800  
1 1 1 16 34 12 o 33.21838 1.601889  11.78879       0.8997920 12.22332       1.039766  10.49294       1.795570  3.054388       3.203779  
1 1 1 16 34 13 o 20.87626 2.409428  4.947621       0.8080160 5.076075       0.9254868 4.535776       1.657155  2.553427       4.818856  
1 1 1 16 34 14 o 23.99381 1.795819  5.893097       0.8279554 5.378689       1.019872  6.887466       1.417966  -2.669136      3.591638  
1 1 1 16 34 15 o 9.853622 2.798891  0.8760778      0.7596602 0.9472501      0.8595729 0.6222032      1.623443  -0.6888914     5.597782  
1 1 1 16 34 16 o 8.370503 2.669704  -0.1487307     0.9310958 -0.4209092     1.207301  0.2507738      1.462681  -1.604034      5.339409  
1 1 1 16 35 0  o 59.88457 1.500596  35.89211       1.764451  37.53430       2.775115  34.77776       2.286020  0.000000       0.000000  
1 1 1 16 35 1  o 35.88595 1.442606  12.59291       0.9391364 12.09614       1.104493  13.88948       1.784348  -2.373508      2.885212  
1 1 1 16 35 2  o 84.08669 0.9717605 70.95812       1.634100  71.89314       2.307875  70.01808       2.314069  1.115738       1.943521  
1 1 1 16 35 3  o 112.8867 1.210972  128.2646       2.712611  127.3183       4.092409  129.0062       3.622797  -0.8256607     2.421945  
1 1 1 16 35 4  o 33.71907 1.106742  11.39042       0.7437361 10.12255       1.020262  12.82816       1.086460  -3.999779      2.213484  
1 1 1 16 35 5  o 46.43812 0.9525054 21.63335       0.8839692 20.64001       1.223634  22.71760       1.278406  -2.227394      1.905011  
1 1 1 16 35 6  o 51.44196 0.9066570 26.58105       0.9326683 27.17552       1.331053  26.00765       1.307253  1.130726       1.813314  
1 1 1 16 35 7  o 43.02699 0.9554086 18.63342       0.8208160 19.00780       1.135760  18.22410       1.187593  0.9211388      1.910817  
1 1 1 16 35 8  o 48.54016 1.029716  23.68084       0.9866343 23.46407       1.292443  23.98360       1.527437  -0.4799919     2.059432  
1 1 1 16 35 9  o 33.24586 1.359690  11.79739       0.8264765 12.87638       1.013828  9.659760       1.426992  4.989054       2.719379  
1 1 1 16 35 10 o 8.540450 2.707486  -0.3512940     0.8824583 -0.3031026     1.049309  -0.4677265     1.631008  -1.764139      5.414971  
1 1 1 16 35 11 o 45.22312 1.106246  20.52079       0.9432766 20.15875       1.151019  21.26120       1.646039  -1.024586      2.212492  
1 1 1 16 35 12 o 29.71933 1.502489  9.154253       0.8308002 9.339730       1.011932  8.770700       1.455188  1.214014       3.004978  
1 1 1 16 35 13 o 17.70723 2.349972  3.690227       0.7544453 4.082743       0.9318717 2.943514       1.285302  3.992314       4.699943  
1 1 1 16 35 14 o 15.07459 2.748259  2.941159       0.8467398 3.364518       0.9995497 1.865292       1.593414  5.007617       5.496517  
1 1 1 16 35 15 o 15.44289 3.156365  3.035924       0.9934056 2.792059       1.225724  3.502731       1.695846  -1.064297      6.312731  
1 1 1 16 35 16 o 18.62867 2.759930  4.721101       1.011944  6.025180       1.345987  3.025655       1.534726  8.491890       5.519859  
1 1 1 16 36 0  o 71.43108 1.314718  51.35502       1.874223  53.30173       2.645844  49.39439       2.655285  0.000000       0.000000  
1 1 1 16 36 1  o 60.60505 1.034177  37.04027       1.231904  36.22131       1.917863  37.61550       1.607335  -1.203613      2.068354  
1 1 1 16 36 2  o 56.58313 0.9904636 32.12386       1.115566  32.69411       1.666954  31.66131       1.501313  0.8832893      1.980927  
1 1 1 16 36 3  o 15.91217 2.285448  2.650183       0.6991373 2.284157       0.9308506 3.123881       1.058949  -2.553962      4.570896  
1 1 1 16 36 4  o 38.66828 1.094527  15.13921       0.8392114 15.89070       1.133228  14.22658       1.248824  2.175449       2.189053  
1 1 1 16 36 5  o 15.13651 2.360402  2.481212       0.6928992 2.692132       0.9283743 2.215961       1.041100  1.615617       4.720804  
1 1 1 16 36 6  o 51.90142 0.9945068 27.13480       1.021406  27.36906       1.353173  26.82459       1.557191  0.5671158      1.989014  
1 1 1 16 36 7  o 25.63105 1.608190  6.744381       0.7893312 6.917608       0.9910891 6.443924       1.305255  1.037811       3.216380  
1 1 1 16 36 8  o 50.99323 1.118438  26.70500       1.097096  28.06106       1.395239  24.50849       1.775733  3.599033       2.236876  
1 1 1 16 36 9  o 14.94998 2.632576  2.359075       0.7581098 2.127171       0.9390890 2.792997       1.284571  -1.904301      5.265151  
1 1 1 16 36 10 o 15.80097 2.503082  2.638166       0.7308585 2.420688       0.8829049 3.111608       1.302684  -1.706095      5.006164  
1 1 1 16 36 11 o 10.50368 2.685585  1.065879       0.7018215 1.195603       0.8435955 0.7742505      1.264852  0.3198471      5.371170  
1 1 1 16 36 12 o 12.10418 2.820430  1.612617       0.7574860 1.534054       0.9202799 1.777659       1.333859  -0.8805456     5.640859  
1 1 1 16 36 13 o 16.59890 2.620557  3.121767       0.8043089 2.968311       0.9739803 3.450782       1.426158  -0.6053524     5.241115  
1 1 1 16 36 14 o 8.278427 2.660430  -0.2396339     0.9018804 -0.3203255     1.098263  -0.7253923E-01 1.580424  -1.678861      5.320861  
1 1 1 16 36 15 o 12.23660 2.993131  1.851395       0.9125577 1.285705       1.256390  2.483082       1.327660  -3.041321      5.986262  
1 1 1 16 36 16 o 10.73666 3.037512  1.419985       0.9879251 1.166196       1.347641  1.714813       1.452520  -1.149560      6.075024  
1 1 1 16 37 0  o 9.445580 3.341342  0.5692317      0.9438670 -0.7782991     1.205179  2.706969       1.517957  0.000000       0.000000  
1 1 1 16 37 1  f 13.56297 2.506710  1.876577       0.7103329 2.830802       1.080209  1.149577       0.9428646 5.436120       5.013419  
1 1 1 16 37 2  o 26.56232 1.628023  7.385360       0.8341560 6.076966       1.289273  8.327406       1.093986  -4.297705      3.256046  
1 1 1 16 37 3  o 24.02387 1.456671  5.806314       0.6966175 5.461358       0.9319195 6.243162       1.048724  -1.590706      2.913343  
1 1 1 16 37 4  o 15.37257 2.214679  2.521944       0.6738682 3.754548       0.9723843 1.382981       0.9347186 7.639261       4.429358  
1 1 1 16 37 5  o 63.23993 0.9170178 40.19738       1.159774  40.22692       1.631632  40.16721       1.648839  0.5059814E-01  1.834036  
1 1 1 16 37 6  o 26.38168 1.395446  6.863711       0.7262809 5.886286       0.9391913 8.317692       1.145490  -4.540890      2.790892  
1 1 1 16 37 7  o 18.28483 2.274820  3.527774       0.7565661 3.513032       0.9184285 3.558897       1.334482  0.4714890      4.549640  
1 1 1 16 37 8  o 72.66606 1.145343  53.03677       1.571897  54.34009       2.727007  52.38825       1.923621  1.085564       2.290686  
1 1 1 16 37 9  o 23.00258 1.494918  5.527260       0.6718731 4.363196       0.9758446 6.576407       0.9264247 -4.837900      2.989837  
1 1 1 16 37 10 o 8.363422 2.351208  0.1152650      0.7124127 1.063333       0.8632613 -1.909128      1.261450  3.769103       4.702415  
1 1 1 16 37 11 o 10.23841 2.798451  0.7918168      0.7688677 0.5279956      0.9303088 1.360356       1.365691  -2.904859      5.596902  
1 1 1 16 37 12 o 21.17197 2.468916  5.810307       0.8592298 6.922887       1.037785  3.385327       1.532129  9.284031       4.937832  
1 1 1 16 37 13 o 13.43273 3.010210  1.931869       0.8074653 1.582500       0.9276577 3.024125       1.640243  -3.596211      6.020419  
1 1 1 16 37 14 o 23.26784 2.173073  6.057492       0.9977882 5.876013       1.303816  6.314006       1.550097  -0.4400845     4.346147  
1 1 1 16 37 15 o 7.958443 2.526496  -0.4884978     0.9194580 -2.022769      1.329072  0.9197909      1.273337  -3.460747      5.052992  
1 1 1 16 38 0  o 21.38227 2.431811  4.759926       0.9574510 4.046690       1.230125  5.856047       1.524973  0.000000       0.000000  
1 1 1 16 38 1  o 11.57732 2.630861  1.289120       0.6900893 0.9270214      0.8905391 1.833375       1.091794  -3.096027      5.261722  
1 1 1 16 38 2  o 48.97370 0.9787046 24.12125       0.9584969 24.13663       1.345225  24.10539       1.366054  0.3617477E-01  1.957409  
1 1 1 16 38 3  o 20.92956 1.648335  4.497004       0.6817540 3.779218       0.9767213 5.178976       0.9520438 -3.352592      3.296671  
1 1 1 16 38 4  o 75.72754 1.053069  58.06026       1.579683  55.27343       2.371370  60.28349       2.118049  -3.367897      2.106139  
1 1 1 16 38 5  o 34.40234 1.359465  12.10514       0.9241003 11.04240       1.379832  12.96948       1.244388  -2.845833      2.718930  
1 1 1 16 38 6  o 27.74517 1.569138  7.678261       0.8307175 7.298644       1.020050  8.425871       1.431484  -1.848103      3.138276  
1 1 1 16 38 7  o 34.36556 1.311207  12.10170       0.8820472 11.27874       1.369878  12.68452       1.152821  -2.125076      2.622414  
1 1 1 16 38 8  f 20.21861 1.814706  4.143292       0.7228612 4.723372       1.148396  3.762639       0.9302769 2.229399       3.629412  
1 1 1 16 38 9  o 25.56481 1.366900  6.665050       0.6983721 6.318111       0.9775637 7.026683       0.9980494 -1.375122      2.733800  
1 1 1 16 38 10 o 32.36913 1.388153  10.15246       0.8630885 8.832592       1.056982  12.79342       1.495144  -5.861111      2.776306  
1 1 1 16 38 11 o 28.99374 1.550198  8.628859       0.8552721 8.316521       1.050776  9.241974       1.472210  -1.181889      3.100396  
1 1 1 16 38 12 o 7.157475 2.423872  -1.090973      0.8317195 -1.089213      0.9580936 -1.096356      1.675529  -2.377634      4.847743  
1 1 1 16 38 13 o 18.44167 2.828926  4.032478       1.009618  2.997638       1.303231  5.585814       1.596678  -6.101197      5.657852  
1 1 1 16 38 14 o 22.10139 2.072459  5.184932       0.8895760 4.314416       1.107914  6.764467       1.492390  -4.759626      4.144919  
1 1 1 16 39 0  o 26.40400 2.071322  7.423433       1.033207  7.784790       1.327230  6.867609       1.646065  0.000000       0.000000  
1 1 1 16 39 1  o 17.88333 1.875036  3.270030       0.6703960 3.248747       0.9343728 3.292609       0.9624155 -0.1106491     3.750072  
1 1 1 16 39 2  o 17.97443 2.068665  3.382818       0.7220407 3.543782       0.9847631 3.195676       1.061825  1.272959       4.137331  
1 1 1 16 39 3  o 29.66122 1.465639  8.922364       0.8315014 8.903347       1.034694  8.957036       1.397148  0.3956985E-01  2.931278  
1 1 1 16 39 4  o 40.01157 1.031074  16.14761       0.8247424 16.40379       1.155606  15.88167       1.177424  0.6586494      2.062147  
1 1 1 16 39 5  o 67.43756 1.061891  45.92823       1.395822  46.04156       1.786058  45.75042       2.237279  0.3529816      2.123782  
1 1 1 16 39 6  o 13.16916 2.584204  1.942263       0.7710867 2.778626       1.007548  0.7598900      1.197969  5.799500       5.168407  
1 1 1 16 39 7  o 8.022871 2.417350  0.7940665E-01  0.6811923 0.2672905      1.007528  -0.7879324E-01 0.9245183 1.016325       4.834701  
1 1 1 16 39 8  o 41.65782 1.191728  17.74916       0.9516427 17.13932       1.574979  18.09984       1.194311  -1.322220      2.383456  
1 1 1 16 39 9  o 25.80808 1.632148  6.980469       0.8046387 6.401424       1.319652  7.323143       1.015183  -1.976450      3.264296  
1 1 1 16 39 10 o 20.75528 2.218532  4.654206       0.9080499 4.571959       1.186860  4.770314       1.410173  -0.1790714     4.437064  
1 1 1 16 39 11 o 12.25274 3.048891  0.9520504      1.023289  -0.4018840     1.270506  3.452177       1.726469  -8.462996      6.097782  
1 1 1 16 39 12 o 23.82606 3.098246  6.843205       1.193507  6.747730       1.356224  7.171005       2.513005  2.234566       6.196491  
1 1 1 16 39 13 o 9.450553 2.913620  0.2430448      1.116912  -1.559015      1.909290  1.180558       1.377133  -2.349859      5.827239  
1 1 1 16 39 14 o 8.880990 2.745052  0.3405651      0.9549710 -0.3907520     1.359092  1.053747       1.342134  -2.155743      5.490105  
1 1 1 16 40 0  f 8.104012 3.442105  0.6519779      0.9626257 0.2549049      1.215401  1.320302       1.576805  0.000000       0.000000  
1 1 1 16 40 1  o 33.55896 1.236457  11.45959       0.8241967 12.05628       1.121385  10.75856       1.215472  1.966007       2.472913  
1 1 1 16 40 2  o 13.37307 2.603801  1.906300       0.7207972 1.538850       0.9617867 2.377114       1.088690  -2.722218      5.207603  
1 1 1 16 40 3  o 44.57365 1.033779  20.04831       0.9212107 20.39572       1.292113  19.68917       1.313733  0.7989960      2.067557  
1 1 1 16 40 4  o 20.13142 2.014469  4.378664       0.7571655 4.987113       0.9942068 3.538424       1.168332  3.955599       4.028939  
1 1 1 16 40 5  o 31.80372 1.325109  10.27424       0.8428330 10.25058       1.196582  10.29754       1.187363  -0.7770157E-01 2.650218  
1 1 1 16 40 6  o 22.99506 2.042656  5.527011       0.9070672 5.545024       1.146151  5.496819       1.483845  0.3606606      4.085312  
1 1 1 16 40 7  o 19.16920 1.742537  3.814710       0.6616374 3.653328       0.9939308 3.943129       0.8866287 -0.8282547     3.485075  
1 1 1 16 40 8  o 44.56174 1.030442  20.01493       0.9162204 21.17400       1.353502  19.03458       1.244778  2.356838       2.060883  
1 1 1 16 40 9  o 31.35697 1.267533  10.08535       0.7931156 10.29580       1.166250  9.904285       1.081777  0.5604668      2.535067  
1 1 1 16 40 10 o 12.76728 2.910678  1.873339       0.8266447 1.692324       1.052520  2.164758       1.335464  -1.336874      5.821355  
1 1 1 16 40 11 o 7.867826 2.618248  -1.139194      0.9202489 -1.620390      1.082854  0.1119121      1.746048  -3.926229      5.236496  
1 1 1 16 40 12 o 11.41790 3.069283  1.317670       1.211044  2.596572       1.376871  -3.053024      2.545364  5.407742       6.138566  
1 1 1 16 40 13 o 11.68103 3.080709  0.6299830      1.063934  -0.9130892     1.295997  3.819401       1.863230  -8.932145      6.161417  
1 1 1 16 41 0  o 30.82375 1.906168  9.694678       1.132271  9.145494       1.440123  10.58376       1.832358  0.000000       0.000000  
1 1 1 16 41 1  o 38.09476 1.211787  14.73209       0.9167783 14.23226       1.366632  15.14106       1.236198  -1.237610      2.423573  
1 1 1 16 41 2  o 55.11942 1.046977  30.67505       1.142228  30.52607       1.742616  30.78727       1.512438  -0.3071251     2.093953  
1 1 1 16 41 3  o 25.42942 1.953645  6.637948       0.9892968 5.950517       1.332279  7.482893       1.477047  -2.920506      3.907291  
1 1 1 16 41 4  o 41.62598 1.141286  17.53274       0.9431090 17.85864       1.428571  17.28097       1.255619  0.6193886      2.282573  
1 1 1 16 41 5  o 8.671803 2.458865  0.4433576      0.6440771 0.3599956      0.8536223 0.5535475      0.9814145 -0.8939772     4.917731  
1 1 1 16 41 6  o 15.12852 2.447763  2.592536       0.7342337 1.954786       1.159660  3.019251       0.9485821 -3.749445      4.895526  
1 1 1 16 41 7  o 46.83362 1.118127  22.40948       1.038227  20.73911       1.536099  23.81429       1.408708  -3.341167      2.236255  
1 1 1 16 41 8  o 26.58498 1.610812  7.378010       0.8440633 7.369161       1.306660  7.384347       1.105717  -0.2208729     3.221624  
1 1 1 16 41 9  o 19.34927 1.953553  4.028333       0.7522014 3.611934       1.067538  4.438911       1.060048  -2.146795      3.907105  
1 1 1 16 41 10 o 24.01867 2.373973  7.110008       0.9022192 7.788399       1.055771  5.273303       1.737198  6.667793       4.747947  
1 1 1 16 41 11 o 22.52541 2.914849  6.344546       1.259994  7.628934       1.746645  4.950958       1.819381  6.464876       5.829699  
1 1 1 16 41 12 o 12.99144 3.449978  1.832537       1.122910  1.129754       1.320445  3.668577       2.134276  -5.073074      6.899955  
1 1 1 16 41 13 o 9.705973 2.938801  0.8579308      1.018917  1.032637       1.371243  0.6425467      1.522536  0.4413519      5.877601  
1 1 1 16 42 0  o 39.53894 1.560241  15.75781       1.196719  15.00616       1.519858  16.98409       1.941284  0.000000       0.000000  
1 1 1 16 42 1  o 32.42764 1.309231  10.59239       0.8444149 12.16601       1.268636  9.340669       1.131467  4.288971       2.618462  
1 1 1 16 42 2  o 11.36646 2.849221  1.281516       0.8423658 1.728029       1.050368  0.4767354      1.410143  2.419877       5.698442  
1 1 1 16 42 3  o 50.65210 1.019554  25.92692       1.032805  25.68492       1.452348  26.17451       1.469008  -0.4771423     2.039108  
1 1 1 16 42 4  o 29.61136 1.449194  8.921317       0.8551855 10.02747       1.261564  7.980864       1.163240  3.399199       2.898387  
1 1 1 16 42 5  o 21.06618 1.668651  4.572389       0.7027426 4.728195       0.9948198 4.417202       0.9928395 0.7368679      3.337302  
1 1 1 16 42 6  o 27.46338 1.500142  7.775858       0.8237339 7.831111       1.153630  7.718386       1.176580  0.2218819      3.000284  
1 1 1 16 42 7  o 14.83838 2.556832  2.714031       0.8137012 1.293470       1.312623  3.600632       1.036989  -7.037639      5.113664  
1 1 1 16 42 8  o 38.22466 1.140720  14.97310       0.8720551 14.97718       1.229506  14.96897       1.237073  0.1654434E-01  2.281440  
1 1 1 16 42 9  o 41.37259 2.180180  20.78862       1.250689  21.83213       1.376185  15.83723       2.997725  9.589325       4.360361  
1 1 1 16 42 10 o 25.44447 3.221763  7.855910       1.113991  7.719528       1.206860  8.641150       2.895878  2.979813       6.443526  
1 1 1 16 42 11 o 8.581812 2.821949  -0.5533662     1.170419  -1.086933      1.873398  -0.2117712     1.498964  -0.4484367E-01 5.643898  
1 1 1 16 42 12 o 10.73297 3.084473  1.381122       1.030118  1.168845       1.371359  1.655997       1.560516  -1.035277      6.168947  
1 1 1 16 43 0  o 11.24421 4.509018  1.953967       1.405842  1.677046       3.048608  2.028760       1.584357  0.000000       0.000000  
1 1 1 16 43 1  o 51.14181 1.022515  26.46857       1.045566  26.57971       1.463079  26.35256       1.494737  0.2350998      2.045031  
1 1 1 16 43 2  o 74.07233 1.074726  55.49889       1.576953  55.04950       2.087338  56.09642       2.406952  -0.5719833     2.149452  
1 1 1 16 43 3  o 16.01105 2.378670  2.698863       0.7568055 3.988045       1.149995  1.714001       1.005140  7.016487       4.757340  
1 1 1 16 43 4  o 40.80897 1.192514  16.77536       0.9629991 15.80368       1.258958  18.14565       1.495044  -2.743416      2.385028  
1 1 1 16 43 5  o 28.02975 1.483677  8.082326       0.8287430 7.356630       1.118726  8.964905       1.233736  -2.769718      2.967355  
1 1 1 16 43 6  o 30.97422 1.396843  9.900763       0.8605931 9.615482       1.151607  10.26158       1.295119  -0.9137135     2.793685  
1 1 1 16 43 7  o 11.82025 2.481652  1.281557       0.7742628 -0.2110927     1.062462  2.971994       1.130664  -8.410477      4.963305  
1 1 1 16 43 8  o 13.17502 3.098197  1.918978       0.8585460 1.639454       0.9920397 2.752996       1.713593  -2.728765      6.196394  
1 1 1 16 43 9  o 20.50972 2.789018  5.676657       0.9692730 6.406518       1.141778  3.793733       1.833909  7.951691       5.578035  
1 1 1 16 43 10 o 12.64999 3.072817  1.937846       0.9872447 3.027519       1.468591  1.039407       1.333513  4.744674       6.145635  
1 1 1 16 43 11 o 11.18156 3.096059  1.545842       1.001379  1.474077       1.342364  1.635888       1.503647  -0.4107161     6.192118  
1 1 1 16 44 0  o 7.890856 3.413356  0.5332352      1.021166  -0.1085949     1.346464  1.402231       1.566728  0.000000       0.000000  
1 1 1 16 44 1  o 29.24595 1.373330  8.789414       0.8016478 8.093353       1.125555  9.505997       1.142027  -2.403587      2.746661  
1 1 1 16 44 2  o 10.71243 2.872096  1.088085       0.8339311 0.9465570      1.368864  1.171613       1.051608  0.1434612E-01  5.744192  
1 1 1 16 44 3  o 25.80645 1.595679  6.942896       0.8232289 7.217430       1.172281  6.675786       1.156326  1.034344       3.191358  
1 1 1 16 44 4  o 39.08073 1.168010  15.65733       0.9120017 14.92239       1.293571  16.38369       1.285993  -1.875164      2.336020  
1 1 1 16 44 5  o 12.85525 2.635445  1.932743       0.7204921 2.159118       1.014353  1.702234       1.023569  1.481510       5.270890  
1 1 1 16 44 6  o 9.625757 2.698371  0.6141233      0.7771337 0.1283432      1.000458  1.353155       1.233987  -3.261693      5.396743  
1 1 1 16 44 7  o 19.25629 2.777762  4.436617       0.8940372 4.480121       1.021877  4.294649       1.846008  2.436056       5.555525  
1 1 1 16 44 8  o 18.11705 2.674732  3.916182       0.9071485 3.770151       1.131344  4.179125       1.518115  -0.1348801     5.349464  
1 1 1 16 44 9  o 17.35569 3.009410  3.838882       1.028423  3.551164       1.350275  4.236362       1.587070  -1.229343      6.018820  
1 1 1 16 44 10 o 10.10264 2.797762  0.7104451      0.9858534 2.141772       1.299296  -1.231741      1.513506  5.225122       5.595525  
1 1 1 16 45 0  o 7.525129 3.419118  0.4062302      1.146592  0.9170910      1.333957  -1.038828      2.243537  0.000000       0.000000  
1 1 1 16 45 1  o 16.18719 2.426347  2.994748       0.7768116 3.677066       1.089782  2.289950       1.107589  4.495259       4.852695  
1 1 1 16 45 2  o 39.86682 1.207103  16.33655       0.9621472 16.25429       1.342119  16.42352       1.380037  -0.1811371     2.414206  
1 1 1 16 45 3  o 41.33575 1.194342  17.59866       0.9841709 16.23137       1.405014  18.91580       1.379006  -3.267910      2.388684  
1 1 1 16 45 4  o 34.87844 1.509215  12.65016       1.050246  13.32699       1.552195  12.07866       1.426321  1.661137       3.018430  
1 1 1 16 45 5  o 46.51556 1.260453  22.33310       1.170032  23.14133       1.723502  21.64222       1.593486  1.485329       2.520906  
1 1 1 16 45 6  o 9.659819 2.850621  0.6062884      0.8625407 0.4763295      1.042919  0.8875951      1.534397  -1.818140      5.701241  
1 1 1 16 45 7  o 15.50475 3.072527  3.176926       0.9713344 3.332329       1.170006  2.832276       1.742395  2.310753       6.145055  
1 1 1 16 45 8  o 31.86219 2.163989  11.82303       1.285776  16.05628       1.808221  7.493463       1.828675  13.47853       4.327978  
1 1 1 16 45 9  o 16.71559 3.056082  3.689216       1.022877  3.558306       1.354196  3.863128       1.560848  -0.2667961     6.112164  
1 1 1 16 45 10 o 9.376364 2.893340  0.5191788      1.049305  -0.1856677     1.467223  1.257091       1.501244  -2.175573      5.786681  
1 1 1 16 46 0  o 31.08652 1.966751  10.07191       1.176197  9.440133       1.491978  11.10925       1.911801  0.000000       0.000000  
1 1 1 16 46 1  o 7.165470 2.290243  -0.3052580     0.6984161 -0.2706049     1.019610  -0.3358899     0.9586273 0.3314457      4.580486  
1 1 1 16 46 2  o 8.162186 2.577460  -0.1388063     0.8420845 -0.2442382     1.089136  0.1789227E-01  1.327787  -1.136905      5.154920  
1 1 1 16 46 3  o 23.15818 2.153810  5.553051       0.9531249 4.762341       1.159007  7.204925       1.675197  -4.402630      4.307620  
1 1 1 16 46 4  o 39.00291 1.275253  15.73320       0.9803253 15.57386       1.280165  15.95913       1.524370  -0.2483559     2.550507  
1 1 1 16 46 5  o 25.44271 3.548969  9.445645       1.224888  9.820901       1.325064  7.241595       3.211328  9.987190       7.097938  
1 1 1 16 46 6  o 21.02911 3.124592  5.732821       1.292382  6.787004       1.769253  4.526829       1.892361  5.944101       6.249184  
1 1 1 16 46 7  f 23.28442 2.754241  6.704804       1.222478  7.390544       1.643088  5.854546       1.829601  4.162357       5.508481  
1 1 1 16 46 8  o 9.916344 3.016542  0.7893012      1.080663  0.8204172      1.558054  0.7604544      1.500166  0.1788149      6.033084  
1 1 1 16 46 9  f 9.649603 2.959943  0.6835750      1.063120  0.1497010      1.434810  1.333469       1.583056  -2.011897      5.919885  
1 1 1 16 47 0  o 9.496050 3.515559  1.252297       1.268720  2.671696       1.422736  -4.259351      2.803579  0.000000       0.000000  
1 1 1 16 47 1  o 16.78994 2.683060  3.397154       0.8885286 4.255451       1.281021  2.601397       1.233466  4.637929       5.366120  
1 1 1 16 47 2  o 20.68514 2.429944  4.900527       0.9697368 6.039534       1.439087  3.953130       1.312472  5.079142       4.859888  
1 1 1 16 47 3  o 22.68771 2.552334  6.328981       1.059111  4.190565       1.564801  8.136744       1.438745  -9.259899      5.104669  
1 1 1 16 47 4  o 13.39795 3.434357  2.412969       1.179475  2.634554       1.415929  1.910666       2.131841  1.549155       6.868714  
1 1 1 16 47 5  o 20.84708 3.101011  5.890851       1.182563  6.399355       1.427154  4.776791       2.112409  5.970509       6.202022  
1 1 1 16 47 6  o 12.30345 3.561689  1.827205       1.416996  1.246428       2.123799  2.293163       1.902314  -1.503507      7.123378  
1 1 1 16 47 7  o 9.286763 3.050838  -0.4180802     1.405894  1.006340       2.015475  -1.768013      1.962070  2.632193       6.101677  
1 1 1 16 48 0  o 16.63137 5.021992  4.793558       1.635894  4.566432       1.953884  5.326031       2.991668  0.000000       0.000000  
1 1 1 16 48 1  o 16.26275 2.955021  3.417245       0.9615279 3.170621       1.510699  3.585188       1.246642  -1.757970      5.910043  
1 1 1 16 48 2  o 9.358614 2.930113  0.2459278      1.101111  0.6369120      1.493165  -0.2201500     1.630262  0.8950052      5.860227  
1 1 1 16 48 3  o 16.10997 3.206846  3.518295       1.115621  4.430877       1.568302  2.583440       1.587324  4.769225       6.413692  
1 1 1 16 48 4  o 8.378180 3.877279  0.000000       0.000000  ?              ?         -0.5058050     1.539316  ?              ?         
1 1 1 16 48 5  o 11.85534 3.327141  1.517427       1.222692  3.203846       1.913898  0.3545494      1.589290  5.010712       6.654283  
1 1 1 16 48 6  o 16.42137 3.543512  3.939237       1.305274  6.134219       2.090839  2.537488       1.670860  6.996855       7.087025  
1 1 1 16 49 0  f 8.412065 5.673832  0.2994707      2.666136  0.2994707      2.666136  0.2994707      2.666136  0.000000       0.000000  
1 1 1 16 49 1  o 11.76099 3.355804  1.699489       1.261681  2.220187       1.526531  0.5770618      2.241257  2.082047       6.711607  
1 1 1 16 49 2  o 15.41457 2.983612  3.639786       1.300202  5.671516       1.589288  -0.4720886     2.260943  11.59537       5.967225  
1 1 1 16 49 3  o 15.76923 3.703835  4.134194       1.520292  5.762014       2.079669  2.265845       2.228025  6.914443       7.407671  
1 1 1 16 49 4  o 14.39227 3.954283  3.685073       1.616829  3.405807       2.119084  4.074141       2.501219  -0.6011820     7.908566  
1 1 1 16 50 0  o 16.49036 7.392627  5.464650       2.582732  5.464650       2.582732  5.464650       2.582732  0.000000       0.000000  
1 1 1 16 50 1  o 25.63183 5.095418  0.000000       0.000000  ?              ?         9.711410       2.519323  ?              ?         
1 1 1 17 0  1  o 221.1368 3.273952  492.1831       13.73443  483.1847       23.32902  496.9564       16.99108  0.000000       0.000000  
1 1 1 17 0  2  o 305.3839 3.681688  932.7980       22.44226  904.2482       30.79487  965.1351       32.77378  0.000000       0.000000  
1 1 1 17 0  3  o 139.5641 2.448768  195.1697       6.824358  190.7422       9.534240  199.8210       9.772364  0.000000       0.000000  
1 1 1 17 0  4  o 42.83054 1.056054  18.53272       0.8955657 20.71198       1.252371  16.25211       1.281162  0.000000       0.000000  
1 1 1 17 0  5  o 58.08221 1.135397  34.04917       1.285624  34.94462       1.661033  32.71124       2.030368  0.000000       0.000000  
1 1 1 17 0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17 0  7  o 175.2684 3.063929  308.2314       10.72289  312.0086       15.37310  304.6525       14.96408  0.000000       0.000000  
1 1 1 17 0  8  o 196.8634 3.425323  389.2836       13.46802  386.7577       18.97407  391.8485       19.12009  0.000000       0.000000  
1 1 1 17 0  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17 0  10 o 165.1752 4.115389  274.1558       13.57649  274.1558       13.57649  274.1558       13.57649  0.000000       0.000000  
1 1 1 17 0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17 0  12 o 80.05696 1.781453  63.69101       2.817657  69.07197       4.365872  59.84981       3.688711  0.000000       0.000000  
1 1 1 17 0  13 o 34.14243 2.503358  12.06122       1.641622  12.14398       2.595255  12.00601       2.119530  0.000000       0.000000  
1 1 1 17 0  14 o 134.5613 3.612030  182.5984       9.705290  182.5984       9.705290  182.5984       9.705290  0.000000       0.000000  
1 1 1 17 0  15 o 47.68539 2.599222  23.05339       2.463403  23.05339       2.463403  23.05339       2.463403  0.000000       0.000000  
1 1 1 17 0  16 o 7.578776 3.570576  -0.5670212     1.338204  0.5038256      2.214876  -1.182666      1.679387  0.000000       0.000000  
1 1 1 17 0  17 o 14.80856 4.022464  3.210805       1.550111  0.4760661E-01  2.461627  5.289327       1.995430  0.000000       0.000000  
1 1 1 17 0  18 o 20.75430 4.500558  5.084669       0.7704645 6.084739       3.678693  5.038789       0.7879397 0.000000       0.000000  
1 1 1 17 0  19 o 7.559887 3.651747  0.8765392E-01  0.6692562 0.8981691      2.968131  0.4423881E-01  0.6869466 0.000000       0.000000  
1 1 1 17 0  20 o 13.08182 4.721739  1.316033       1.158673  6.079715       3.256801  0.6257055      1.239788  0.000000       0.000000  
1 1 1 17 0  21 o 6.063471 3.090712  -0.3966730     0.6959395 -0.3887066     2.626064  -0.3972747     0.7217456 0.000000       0.000000  
1 1 1 17 0  22 o 12.16334 7.004247  3.183318       2.684554  3.183318       2.684554  3.183318       2.684554  0.000000       0.000000  
1 1 1 17 1  0  o 537.3716 6.458405  2898.513       69.35889  2873.981       97.22882  2923.932       98.97092  0.000000       0.000000  
1 1 1 17 1  1  o 48.17416 1.007065  23.12796       0.9683027 21.93728       1.318785  24.52069       1.426299  -2.680756      2.014129  
1 1 1 17 1  2  o 192.0060 2.145211  364.1617       7.936539  386.4814       13.29941  351.8170       9.890746  8.984314       4.290422  
1 1 1 17 1  3  o 141.4840 1.599379  199.0305       4.397587  195.1390       5.567584  205.4852       7.170451  -3.638474      3.198759  
1 1 1 17 1  4  o 173.3302 1.614682  300.8713       5.546819  298.6724       8.414490  302.5611       7.376394  -1.135376      3.229363  
1 1 1 17 1  5  f 196.0244 1.684751  383.8693       6.595524  396.5250       9.643349  372.7458       9.040745  6.055908       3.369501  
1 1 1 17 1  6  o 144.8673 1.650858  210.1094       4.678424  210.3405       6.021498  209.7574       7.431284  0.2275238      3.301716  
1 1 1 17 1  7  o 102.6243 1.375319  105.3776       2.822163  104.5866       3.942621  106.2088       4.041499  -0.7884598     2.750638  
1 1 1 17 1  8  o 101.6700 1.368331  103.3088       2.778292  100.8841       3.809847  106.0629       4.060297  -2.541267      2.736662  
1 1 1 17 1  9  o 77.43775 1.666211  0.000000       0.000000  ?              ?         60.01405       2.580553  ?              ?         
1 1 1 17 1  10 o 146.4322 2.604848  215.3827       7.626468  212.4922       10.63317  218.4450       10.94447  -2.012268      5.209697  
1 1 1 17 1  11 o 82.99496 1.776231  68.96834       2.948364  68.96834       2.948364  ?              ?         ?              ?         
1 1 1 17 1  12 o 136.0545 1.757940  185.6512       4.783429  187.1230       6.784286  184.1963       6.745462  1.073273       3.515880  
1 1 1 17 1  13 o 22.65255 2.423878  5.226563       1.064023  4.355574       1.461259  6.209573       1.552384  -4.373932      4.847756  
1 1 1 17 1  14 o 31.78449 3.217391  10.41588       1.900648  15.06124       2.842053  6.657334       2.556423  13.54135       6.434783  
1 1 1 17 1  15 o 67.20589 1.758034  45.56965       2.359285  45.39599       3.244088  45.76462       3.437361  -0.2386627     3.516069  
1 1 1 17 1  16 o 35.86059 1.616041  12.92967       1.155785  12.22460       1.564385  13.77709       1.715035  -2.131470      3.232082  
1 1 1 17 1  17 o 30.94735 1.280161  8.071672       0.6215090 12.46751       1.561532  7.244233       0.6774825 8.194820       2.560322  
1 1 1 17 1  18 o 31.95281 1.003499  9.704125       0.5790945 9.005022       0.6747546 11.65875       1.128255  -4.032011      2.006999  
1 1 1 17 1  19 o 7.607184 2.213812  0.2468673      0.5389670 0.2165634      0.8253823 0.2693942      0.7116336 0.3108802      4.427624  
1 1 1 17 1  20 o 9.542711 2.216242  0.9578415      0.4823167 0.9857802      0.6124443 0.9122185      0.7826265 0.4927540E-01  4.432483  
1 1 1 17 1  21 o 30.74040 0.9765572 9.643676       0.5992834 9.637356       0.8229621 9.650812       0.8744048 0.1640320E-01  1.953114  
1 1 1 17 1  22 o 11.66734 3.689366  0.4323167      1.825331  3.014905       2.759710  -1.576186      2.433728  4.753371       7.378733  
1 1 1 17 2  0  o 311.8215 3.753645  973.3201       23.37769  952.5577       32.33810  996.0488       33.83475  0.000000       0.000000  
1 1 1 17 2  1  o 333.3585 3.055213  1114.604       20.21202  1098.434       30.42438  1127.378       27.04188  -4.396820      6.110426  
1 1 1 17 2  2  o 176.2074 1.649144  309.4287       5.722358  303.9440       7.435413  317.3965       8.961965  -3.802185      3.298287  
1 1 1 17 2  3  o 79.13413 1.551102  62.63726       2.454902  62.63726       2.454902  ?              ?         ?              ?         
1 1 1 17 2  4  o 233.8553 2.160525  547.3466       9.996210  548.3619       15.30701  546.5916       13.19951  0.3412018      4.321051  
1 1 1 17 2  5  o 106.9445 1.117724  114.2913       2.388030  116.7837       3.474312  112.0594       3.287772  2.206833       2.235447  
1 1 1 17 2  6  o 141.5395 1.437868  200.4534       4.070046  201.7718       5.794973  199.1700       5.717634  0.9178162      2.875735  
1 1 1 17 2  7  o 186.3468 2.292166  346.5576       8.514267  331.6863       11.49127  364.6589       12.67799  -8.808853      4.584331  
1 1 1 17 2  8  o 83.89957 1.237589  70.11672       2.066012  67.43801       2.763520  73.51093       3.110772  -3.612068      2.475178  
1 1 1 17 2  9  o 29.25689 2.382156  0.000000       0.000000  ?              ?         8.573818       1.393889  ?              ?         
1 1 1 17 2  10 o 59.06395 1.577661  34.78215       1.855222  33.32523       2.487666  36.60785       2.784760  -2.767105      3.155322  
1 1 1 17 2  11 o 84.08452 1.292864  70.54661       2.167036  67.90996       2.927135  73.74435       3.223569  -3.458473      2.585728  
1 1 1 17 2  12 o 70.89555 1.234120  50.21294       1.745110  48.77780       2.368387  51.91764       2.581246  -2.205475      2.468240  
1 1 1 17 2  13 o 46.02202 1.399978  21.24768       1.282343  21.36110       1.732864  21.11037       1.906571  0.2838402      2.799955  
1 1 1 17 2  14 o 88.64169 1.989609  79.10890       3.521612  77.89173       4.829693  80.49071       5.145960  -1.422226      3.979217  
1 1 1 17 2  15 o 99.79567 2.019006  99.61553       3.994542  92.39806       5.246528  109.5696       6.161382  -8.409264      4.038013  
1 1 1 17 2  16 o 13.98435 2.612506  2.191262       0.7099445 1.547032       1.355701  2.434687       0.8333472 -2.526917      5.225013  
1 1 1 17 2  17 o 11.98265 2.671352  1.166068       0.6278455 2.301058       1.336470  0.8446504      0.7112107 5.243473       5.342704  
1 1 1 17 2  18 o 13.71234 2.916854  2.263681       0.7812362 -0.7716201     2.568392  2.573143       0.8200950 -4.256003      5.833709  
1 1 1 17 2  19 o 25.41037 1.370201  6.438278       0.6872072 5.702007       0.8883243 7.535607       1.084479  -3.506304      2.740403  
1 1 1 17 2  20 o 14.48021 1.798305  2.208458       0.5003183 2.113884       0.6452209 2.351078       0.7923406 -0.4315901     3.596610  
1 1 1 17 2  21 o 19.31781 1.351066  3.868649       0.5188430 3.781667       0.6935348 3.979207       0.7818959 -0.4197197     2.702132  
1 1 1 17 2  22 o 12.08062 3.744317  0.8656738      1.846861  3.374062       2.684289  -1.389125      2.544988  4.935389       7.488635  
1 1 1 17 3  0  o 106.9072 1.381719  114.3610       2.950382  116.1306       4.258467  112.7275       4.091482  0.000000       0.000000  
1 1 1 17 3  1  o 114.9192 1.190339  130.8589       2.716056  142.0578       4.153428  122.4920       3.590036  8.509094       2.380678  
1 1 1 17 3  2  o 173.3575 1.735462  300.6427       6.016512  303.7816       8.582559  297.6098       8.436584  1.778488       3.470923  
1 1 1 17 3  3  o 69.81114 1.069854  48.72824       1.493397  49.61192       2.140862  47.89069       2.084242  1.232330       2.139709  
1 1 1 17 3  4  o 310.4806 3.340338  0.000000       0.000000  ?              ?         965.2518       20.74220  ?              ?         
1 1 1 17 3  5  o 203.4187 1.808862  413.4532       7.100698  416.8397       11.71746  411.4879       8.926417  1.267410       3.617724  
1 1 1 17 3  6  f 64.88265 0.8415375 42.09726       1.091700  41.71228       1.522643  42.50451       1.566067  -0.6100769     1.683075  
1 1 1 17 3  7  f 60.78575 1.010696  36.59567       1.133097  36.02704       1.355678  37.91361       2.063890  -1.541817      2.021393  
1 1 1 17 3  8  o 110.0939 1.467290  121.2964       3.229011  120.3489       4.484804  122.3163       4.652852  -0.8893890     2.934580  
1 1 1 17 3  9  o 55.23574 1.184282  30.55864       1.305378  30.90579       1.792970  30.16707       1.904213  0.6714706      2.368563  
1 1 1 17 3  10 o 38.70668 1.724809  14.92897       1.324486  14.38416       1.751367  15.65687       2.024360  -1.632240      3.449617  
1 1 1 17 3  11 o 99.60518 1.388273  99.34185       2.763497  98.73431       3.829089  100.0023       3.992372  -0.6300125     2.776546  
1 1 1 17 3  12 o 81.46474 1.280574  65.89068       2.066461  62.55411       2.712460  70.50588       3.190141  -4.859596      2.561149  
1 1 1 17 3  13 o 32.31606 1.773934  10.47613       1.132140  10.41262       1.485886  10.56403       1.748046  -0.2118568     3.547868  
1 1 1 17 3  14 o 42.37133 1.370978  18.04154       1.157676  18.27591       1.577998  17.76837       1.703610  0.6111755      2.741957  
1 1 1 17 3  15 o 38.47232 2.534053  14.94257       1.949818  14.94257       1.949818  ?              ?         ?              ?         
1 1 1 17 3  16 o 42.80520 1.056866  17.12125       0.7856150 21.03874       1.637932  15.95074       0.8953221 5.833702       2.113732  
1 1 1 17 3  17 o 25.65853 1.781777  6.860611       0.8400371 6.315326       1.489273  7.115056       1.017321  -1.734264      3.563554  
1 1 1 17 3  18 o 26.08088 2.852516  6.499182       0.9105161 8.484706       2.826237  6.269238       0.9617958 2.442978       5.705032  
1 1 1 17 3  19 o 13.00227 1.981255  1.724964       0.4863064 1.431022       0.6052507 2.260378       0.8168646 -2.949566      3.962510  
1 1 1 17 3  20 o 28.07566 1.014120  7.696970       0.5504659 6.878360       0.6818296 9.229289       0.9328488 -4.045687      2.028240  
1 1 1 17 3  21 o 23.18209 1.409661  5.693007       0.6320829 5.223924       1.005708  5.999278       0.8126407 -1.879454      2.819321  
1 1 1 17 3  22 o 13.04391 3.914801  2.013600       1.818791  0.6637604      2.487239  3.564925       2.666416  -3.623448      7.829601  
1 1 1 17 4  0  o 20.97054 1.816073  4.662229       0.7123865 3.720181       1.039857  5.495407       0.9779260 0.000000       0.000000  
1 1 1 17 4  1  o 233.4723 1.995589  545.2170       9.315063  554.0415       13.38757  536.9352       12.96936  3.658554       3.991179  
1 1 1 17 4  2  o 66.97624 1.069384  45.14988       1.420097  42.36617       2.113533  47.44090       1.917402  -3.789833      2.138768  
1 1 1 17 4  3  o 133.3912 1.528524  178.4722       4.017638  175.3332       6.212130  180.7293       5.267584  -2.033569      3.057049  
1 1 1 17 4  4  o 90.26247 1.350341  81.79829       1.920042  81.03962       4.371905  81.97959       2.137178  -0.5449982     2.700681  
1 1 1 17 4  5  o 141.5442 1.344982  200.8098       3.778312  197.4332       5.681934  203.4864       5.058858  -2.146515      2.689965  
1 1 1 17 4  6  o 148.4006 1.503031  219.8282       4.452899  229.5031       6.541699  211.4750       6.078483  6.065765       3.006063  
1 1 1 17 4  7  o 59.68496 0.8225646 35.59085       0.9811533 37.56857       1.412740  33.74811       1.363680  3.199936       1.645129  
1 1 1 17 4  8  o 66.28581 1.045867  44.44213       1.296300  45.35293       1.583469  42.59140       2.257189  2.094902       2.091735  
1 1 1 17 4  9  o 40.12864 1.334413  15.92355       1.050081  15.17659       1.344148  17.09340       1.682147  -2.378555      2.668825  
1 1 1 17 4  10 o 61.87520 1.541631  38.26456       1.899944  37.45262       2.561182  39.25815       2.833219  -1.448479      3.083262  
1 1 1 17 4  11 o 95.60674 1.372818  91.49660       2.621313  90.60414       3.604554  92.49837       3.818920  -0.9820404     2.745637  
1 1 1 17 4  12 o 34.31377 1.596111  11.81500       1.063028  11.85132       1.350589  11.75586       1.723330  0.1594124      3.192222  
1 1 1 17 4  13 o 53.35519 1.315026  28.19825       1.384779  26.58372       1.796635  30.56112       2.173490  -3.702469      2.630052  
1 1 1 17 4  14 o 61.22400 1.044671  34.19212       1.110746  44.55501       2.341983  31.18461       1.261672  10.83615       2.089343  
1 1 1 17 4  15 o 71.70448 1.448004  49.86951       1.894258  56.30206       3.582663  47.37350       2.231714  6.021935       2.896008  
1 1 1 17 4  16 o 14.24134 2.628245  2.207058       0.7567164 1.804102       1.192055  2.479038       0.9793447 -2.092520      5.256489  
1 1 1 17 4  17 o 14.98103 2.383675  2.460322       0.6475695 2.094442       1.233957  2.599386       0.7607445 -2.009530      4.767351  
1 1 1 17 4  18 o 19.43417 3.413174  3.948885       1.136855  4.837969       2.484123  3.713341       1.278611  1.795565       6.826349  
1 1 1 17 4  19 o 20.60930 1.296469  4.065821       0.5175648 3.296728       0.6424717 5.487658       0.8735536 -5.204000      2.592937  
1 1 1 17 4  20 o 20.71443 1.226420  4.237941       0.4905387 3.834002       0.6072638 4.996473       0.8321595 -2.648640      2.452839  
1 1 1 17 4  21 o 24.25813 1.386731  6.120592       0.6639597 6.216249       1.027454  6.052003       0.8700221 0.1690426      2.773462  
1 1 1 17 4  22 o 14.70744 4.048941  3.313057       1.747634  2.408495       2.459287  4.235855       2.483953  -2.854327      8.097881  
1 1 1 17 5  0  o 96.98521 1.296332  94.02424       2.510179  90.70398       3.460218  97.71261       3.646999  0.000000       0.000000  
1 1 1 17 5  1  o 107.4165 1.065055  114.7183       2.252945  111.6311       2.921910  119.2449       3.538073  -3.539902      2.130110  
1 1 1 17 5  2  o 161.8165 1.729150  261.3135       5.251591  263.9870       9.202375  260.0223       6.395223  1.191589       3.458300  
1 1 1 17 5  3  o 297.8727 3.274887  891.9246       19.20851  874.6519       29.75337  904.2683       25.15246  -5.089417      6.549774  
1 1 1 17 5  4  o 200.9591 2.109703  405.7052       8.024793  399.8924       13.74075  408.7140       9.885872  -2.265198      4.219406  
1 1 1 17 5  5  o 137.8382 1.490967  190.3107       3.877296  189.5251       6.700872  190.7062       4.753958  -0.4575500     2.981933  
1 1 1 17 5  6  o 117.2076 1.232773  137.2235       2.884750  133.8610       3.945354  141.0861       4.228670  -3.077827      2.465545  
1 1 1 17 5  7  o 59.40116 1.051984  34.90693       1.149212  34.31595       1.371426  36.30038       2.105867  -1.659264      2.103969  
1 1 1 17 5  8  o 31.32270 0.9828954 9.744018       0.5996827 9.509672       0.7613863 10.12693       0.9732553 -0.9816494     1.965791  
1 1 1 17 5  9  o 113.6061 1.380365  127.5542       2.985749  123.9511       3.670482  134.6017       5.133356  -4.642273      2.760731  
1 1 1 17 5  10 o 128.2330 1.900022  160.0928       4.032446  173.4238       8.774962  156.5239       4.540240  6.393692       3.800045  
1 1 1 17 5  11 o 40.63894 1.004997  16.66860       0.7097712 16.24747       1.403070  16.81343       0.8228186 -0.7130814     2.009995  
1 1 1 17 5  12 o 65.55343 0.9762748 43.23334       1.181662  42.43667       2.119464  43.59267       1.423418  -0.9048767     1.952550  
1 1 1 17 5  13 o 63.69473 1.055802  38.64378       1.252938  46.10408       2.305764  35.51795       1.492520  8.265022       2.111604  
1 1 1 17 5  14 o 24.00968 1.644327  6.139849       0.6728171 5.137414       1.311280  6.498071       0.7838685 -2.896891      3.288653  
1 1 1 17 5  15 o 38.53848 1.545258  14.04218       1.112083  17.53694       2.051731  12.58834       1.323334  6.301304       3.090516  
1 1 1 17 5  16 o 14.39819 2.455239  2.210377       0.6549497 2.137460       1.209376  2.240638       0.7790880 -0.4371777     4.910479  
1 1 1 17 5  17 o 11.10997 2.670627  0.7953796      0.7701878 2.240087       1.252034  -0.8412120E-01 0.9768867 6.590311       5.341255  
1 1 1 17 5  18 o 15.49288 3.306585  2.310547       0.8642448 3.135878       2.289898  2.173456       0.9332656 2.667649       6.613171  
1 1 1 17 5  19 o 32.90546 1.445828  0.000000       0.000000  ?              ?         10.94424       0.9515126 ?              ?         
1 1 1 17 5  20 o 28.11667 1.249753  7.590705       0.6626827 6.664765       0.7946758 9.704565       1.200706  -5.108318      2.499506  
1 1 1 17 5  21 o 11.39937 2.308621  1.509979       0.5702760 1.085325       0.8348102 1.881531       0.7808730 -2.863717      4.617243  
1 1 1 17 5  22 o 16.71617 4.268398  4.632987       1.830654  4.625421       2.701669  4.639411       2.489232  -0.3279400     8.536797  
1 1 1 17 6  0  o 352.7045 4.246992  1247.018       29.93616  1236.026       41.97328  1258.398       42.70854  0.000000       0.000000  
1 1 1 17 6  1  o 309.5944 3.043458  960.1750       18.84418  964.2460       26.77345  956.1785       26.52766  1.297791       6.086915  
1 1 1 17 6  2  o 223.6069 2.475004  499.6306       10.81300  505.3704       17.29156  495.9447       13.85647  2.044632       4.950008  
1 1 1 17 6  3  o 53.61346 0.9281603 29.25148       0.9717726 26.08154       1.499325  31.54776       1.276094  -5.099483      1.856321  
1 1 1 17 6  4  o 80.51083 1.143177  64.57759       1.836634  60.91349       2.497498  68.89275       2.710320  -4.953178      2.286355  
1 1 1 17 6  5  o 144.4425 1.314420  208.3815       3.664622  210.1267       6.044560  207.3672       4.608077  0.9353485      2.628841  
1 1 1 17 6  6  o 165.1496 1.862774  273.5401       6.053208  270.5484       9.421288  275.6434       7.899443  -1.579041      3.725548  
1 1 1 17 6  7  o 156.3996 1.584509  244.6711       4.953863  250.9308       7.145220  238.8769       6.874273  3.847168       3.169019  
1 1 1 17 6  8  o 59.84792 0.9703968 34.35092       1.086573  31.89785       1.301204  40.00211       1.974973  -6.758812      1.940794  
1 1 1 17 6  9  o 50.01389 1.025982  25.01279       1.017344  25.17281       1.546271  24.89066       1.350918  0.2773285      2.051964  
1 1 1 17 6  10 o 79.54066 1.086039  62.99287       1.686781  64.81425       2.712853  61.84491       2.153714  1.851196       2.172078  
1 1 1 17 6  11 o 111.9081 1.276243  126.3145       2.735442  122.2218       4.544814  128.6393       3.425361  -2.910423      2.552486  
1 1 1 17 6  12 o 71.38911 1.026427  50.35771       1.368027  52.84706       2.443615  49.22136       1.651006  2.510963       2.052854  
1 1 1 17 6  13 o 31.32765 1.353430  9.966577       0.7926615 9.487768       1.377797  10.20346       0.9691012 -1.172436      2.706859  
1 1 1 17 6  14 o 23.33550 1.792309  5.531675       0.8263763 5.149496       1.243884  5.833623       1.105638  -1.486244      3.584618  
1 1 1 17 6  15 o 36.88338 1.307144  13.34854       0.9524848 16.45018       1.479543  11.15331       1.244721  7.148018       2.614287  
1 1 1 17 6  16 o 47.33311 1.379304  22.39279       1.266694  21.75908       1.596975  23.46784       2.080017  -1.694775      2.758609  
1 1 1 17 6  17 o 36.32935 1.219543  12.87290       0.8200771 14.48355       1.510111  12.19923       0.9766364 3.007786       2.439085  
1 1 1 17 6  18 o 21.00419 2.858338  4.073977       0.7925503 5.869409       2.350170  3.843591       0.8418651 3.167028       5.716676  
1 1 1 17 6  19 o 23.13588 1.898579  4.999268       0.7809122 6.813714       1.593367  4.425656       0.8958856 4.684517       3.797157  
1 1 1 17 6  20 o 22.49424 1.178490  5.181302       0.5041745 5.189303       0.6241370 5.166275       0.8553098 0.2109070      2.356979  
1 1 1 17 6  21 o 13.27299 2.153296  1.930730       0.5902619 2.903046       0.8849747 1.151552       0.7922190 6.237620       4.306593  
1 1 1 17 6  22 o 11.88005 3.772904  0.7348944      1.921564  -0.9776858     2.650400  2.632593       2.789970  -3.551941      7.545809  
1 1 1 17 7  0  o 106.3091 1.679468  114.0816       3.414224  110.1838       5.673823  116.2942       4.274811  0.000000       0.000000  
1 1 1 17 7  1  o 293.6055 2.585984  862.4955       14.68353  866.2049       24.08004  860.2999       18.52647  0.9001160      5.171969  
1 1 1 17 7  2  o 76.44608 1.026342  58.84693       1.557774  54.16888       2.286134  62.90158       2.128367  -5.712944      2.052684  
1 1 1 17 7  3  o 82.31793 0.8796247 68.11942       1.440763  62.74204       2.088516  73.00212       1.990135  -6.232719      1.759249  
1 1 1 17 7  4  o 230.6405 2.283447  532.6453       10.53230  536.6109       15.00695  528.7960       14.78537  1.689377       4.566894  
1 1 1 17 7  5  o 242.5542 2.142900  590.3774       10.09650  584.1058       16.31178  594.2726       12.85498  -2.177872      4.285800  
1 1 1 17 7  6  o 130.2166 1.255610  169.9848       3.250368  166.6163       4.844768  172.7421       4.383236  -2.359924      2.511220  
1 1 1 17 7  7  o 87.22126 1.283108  75.79296       2.219709  73.64510       2.936697  78.65542       3.390203  -2.863312      2.566216  
1 1 1 17 7  8  f 145.8451 1.673370  212.6639       4.754169  211.4458       6.062691  214.6090       7.661239  -1.034500      3.346740  
1 1 1 17 7  9  o 125.1494 1.311583  156.2580       3.270320  150.8775       4.405568  162.8616       4.880703  -4.772476      2.623165  
1 1 1 17 7  10 o 80.75826 0.9844565 65.39892       1.585851  67.51386       2.187073  63.05408       2.302868  2.764122       1.968913  
1 1 1 17 7  11 o 97.28768 1.286571  92.48586       2.441944  105.0018       4.008364  85.09923       3.079347  10.19110       2.573142  
1 1 1 17 7  12 o 46.43362 1.126724  21.69691       1.039184  20.50838       1.537336  22.69691       1.410145  -2.361797      2.253448  
1 1 1 17 7  13 o 47.33784 1.182096  22.48186       1.110727  22.29188       1.673074  22.63159       1.485256  -0.3719978     2.364192  
1 1 1 17 7  14 o 34.33674 1.221862  11.48357       0.8133064 13.23275       1.361963  10.51411       1.013941  3.921318       2.443725  
1 1 1 17 7  15 o 78.56427 1.148670  62.07267       1.786879  61.24511       2.716433  62.70390       2.372416  -0.9710159     2.297341  
1 1 1 17 7  16 o 32.91293 1.277018  11.27589       0.7924263 9.772296       1.316391  12.13039       0.9923695 -3.653704      2.554037  
1 1 1 17 7  17 o 9.857574 2.572853  0.3683405      0.6646880 1.724358       1.232278  -0.1880842     0.7893677 6.112398       5.145706  
1 1 1 17 7  18 o 18.32598 2.221567  3.366491       0.7502989 4.099473       1.341545  3.032862       0.9050878 2.304672       4.443135  
1 1 1 17 7  19 o 29.70203 1.065077  8.891617       0.6160861 8.780149       0.7843390 9.071177       0.9954836 -0.4086666     2.130154  
1 1 1 17 7  20 o 13.01307 1.839896  1.444542       0.4389698 0.9002437      0.5090150 3.024066       0.8671125 -7.816840      3.679792  
1 1 1 17 7  21 o 13.16210 2.272887  2.058639       0.6087419 1.399489       0.9058841 2.601364       0.8219984 -4.263941      4.545775  
1 1 1 17 7  22 o 12.39972 5.562183  1.512536       2.865260  1.512536       2.865260  ?              ?         ?              ?         
1 1 1 17 8  0  o 29.88542 1.654173  9.135810       0.8046734 9.028965       1.708918  9.166247       0.9121172 0.000000       0.000000  
1 1 1 17 8  1  o 332.8235 2.832685  1109.662       18.85513  1104.430       26.54187  1114.993       26.79021  -1.581329      5.665370  
1 1 1 17 8  2  o 107.0873 1.160575  116.9479       2.321490  108.3198       4.012584  121.2890       2.846201  -6.066391      2.321149  
1 1 1 17 8  3  o 141.4270 1.516131  202.5188       4.113940  191.4313       6.764980  209.0253       5.182312  -6.241318      3.032261  
1 1 1 17 8  4  o 253.5139 2.505703  643.8071       12.70414  647.3270       18.06000  640.3593       17.87419  1.369568       5.011405  
1 1 1 17 8  5  o 217.0556 2.015093  472.3770       8.677078  466.9117       13.09208  476.6584       11.58766  -2.281052      4.030185  
1 1 1 17 8  6  o 85.76299 1.107578  67.44936       1.726964  88.60235       3.378879  59.96967       2.009225  16.67161       2.215155  
1 1 1 17 8  7  o 94.03119 1.065981  88.44923       2.002011  88.18586       2.758597  88.74230       2.910008  -0.2933197     2.131963  
1 1 1 17 8  8  o 75.50097 1.160466  55.78680       1.711562  51.60084       2.164877  62.76505       2.795175  -7.379227      2.320932  
1 1 1 17 8  9  o 52.23909 0.8974928 26.78606       0.9078642 25.35268       1.135190  29.32980       1.512254  -3.798126      1.794986  
1 1 1 17 8  10 o 36.15113 1.391265  13.16799       0.9986312 14.80556       1.400819  11.47573       1.424022  4.606274       2.782530  
1 1 1 17 8  11 o 50.20079 1.110749  25.30697       1.107862  24.50095       1.649947  25.96870       1.494996  -1.467415      2.221498  
1 1 1 17 8  12 o 88.20765 1.140501  78.08822       1.950171  77.19792       3.166632  78.63219       2.475267  -0.8424072     2.281002  
1 1 1 17 8  13 o 85.12251 1.127745  73.01127       1.851670  71.13043       3.031796  74.13025       2.338490  -1.810905      2.255490  
1 1 1 17 8  14 o 89.84367 1.235162  81.28603       2.206740  78.50729       3.268905  83.61263       2.991161  -2.872833      2.470324  
1 1 1 17 8  15 o 21.74972 1.704173  4.538452       0.7146729 5.676962       1.224979  3.950967       0.8799516 3.901199       3.408345  
1 1 1 17 8  16 o 23.00379 1.645213  5.234450       0.7409129 6.000253       1.204414  4.768211       0.9397693 2.597988       3.290426  
1 1 1 17 8  17 o 19.19903 2.080570  4.034307       0.7202609 3.227330       1.194518  4.495316       0.9028516 -3.714817      4.161141  
1 1 1 17 8  18 o 25.76261 1.677682  6.485923       0.8211166 7.762961       1.450849  5.884118       0.9959745 3.427368       3.355364  
1 1 1 17 8  19 o 6.775169 2.058101  -0.8638369E-01 0.4330430 -0.2374548     0.4949688 0.4065843      0.8941212 -3.382443      4.116203  
1 1 1 17 8  20 o 7.100289 2.058096  0.2015430      0.4254911 0.7858720E-01  0.5014371 0.5177560      0.8041401 -2.422595      4.116192  
1 1 1 17 8  21 o 14.51734 3.722686  1.252969       1.029805  6.351823       2.925740  0.5319397      1.100210  11.03431       7.445372  
1 1 1 17 8  22 f 16.03887 6.197257  4.631069       2.828376  4.631069       2.828376  ?              ?         ?              ?         
1 1 1 17 9  0  o 176.7774 2.495800  315.5680       7.745075  307.9324       15.05197  318.3177       9.032610  0.000000       0.000000  
1 1 1 17 9  1  o 92.02998 1.240451  84.47663       2.278498  88.50028       3.355508  81.03408       3.103763  4.053772       2.480901  
1 1 1 17 9  2  o 86.60284 1.046443  76.38474       1.737834  69.97304       2.835040  80.24407       2.199524  -5.935684      2.092887  
1 1 1 17 9  3  o 103.3455 1.250935  107.2548       2.541431  104.5768       3.952237  109.1428       3.318507  -2.216537      2.501871  
1 1 1 17 9  4  o 172.9011 1.553573  300.0282       5.224836  295.4248       8.401497  302.9314       6.671975  -2.199326      3.107146  
1 1 1 17 9  5  o 49.71400 0.8292624 24.81390       0.8145018 24.09760       1.243529  25.35210       1.077903  -1.263447      1.658525  
1 1 1 17 9  6  o 220.3344 2.043917  487.6729       8.967413  469.6522       13.17214  503.2397       12.24250  -7.649384      4.087834  
1 1 1 17 9  7  o 139.9323 1.449856  196.0220       4.057228  197.3372       5.709590  194.6805       5.766405  0.9506683      2.899711  
1 1 1 17 9  8  o 112.4066 1.495340  125.7273       3.336546  120.4800       4.417239  132.6985       5.091432  -5.414413      2.990679  
1 1 1 17 9  9  o 20.61388 1.798904  4.071822       0.7249154 3.216484       0.9231217 5.447852       1.170858  -5.401066      3.597809  
1 1 1 17 9  10 o 84.07210 1.029603  70.05498       1.704298  67.07233       2.202812  74.50292       2.690025  -4.405594      2.059205  
1 1 1 17 9  11 o 113.4003 1.239902  128.5804       2.801428  126.5741       3.786573  131.0064       4.163887  -1.938843      2.479804  
1 1 1 17 9  12 o 96.43330 1.328629  92.97643       2.556687  96.02981       3.767165  90.36909       3.481151  2.919983       2.657258  
1 1 1 17 9  13 o 59.53362 1.706033  35.62772       2.030813  34.52785       2.855007  36.75417       2.889308  -1.865993      3.412066  
1 1 1 17 9  14 f 50.77363 1.079060  25.57581       1.067095  27.08931       1.738957  24.66166       1.351462  2.350758       2.158120  
1 1 1 17 9  15 o 61.14500 1.031704  37.34781       1.209778  38.13577       2.031408  36.91476       1.505958  0.9338112      2.063408  
1 1 1 17 9  16 o 30.28761 1.357195  9.412735       0.7800692 8.759140       1.306510  9.774803       0.9724194 -1.758057      2.714389  
1 1 1 17 9  17 o 33.08899 1.294396  10.94516       0.8158675 11.44690       1.397362  10.68565       1.004945  1.039940       2.588792  
1 1 1 17 9  18 o 34.65071 1.231765  11.83273       0.8326368 13.58450       1.368657  10.80346       1.049109  3.901085       2.463529  
1 1 1 17 9  19 f 14.14585 1.845539  1.751986       0.4747965 1.192481       0.5549962 3.279188       0.9169303 -7.264888      3.691078  
1 1 1 17 9  20 o 25.61127 1.332470  6.321861       0.5345390 6.060778       0.5890083 7.540836       1.272710  -2.313162      2.664940  
1 1 1 17 9  21 o 15.15025 3.308549  2.767797       0.8169504 3.097908       2.760158  2.736101       0.8552715 -0.9225140     6.617098  
1 1 1 17 9  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17 10 0  o 76.81102 1.324857  59.03114       1.754745  59.28833       3.526819  58.94653       2.022902  0.000000       0.000000  
1 1 1 17 10 1  o 343.6312 2.929384  1181.916       20.11386  1215.782       29.21704  1151.405       27.73165  9.328430       5.858769  
1 1 1 17 10 2  o 81.67160 1.020228  67.87543       1.598642  62.43271       2.608111  71.15092       2.023286  -5.342827      2.040456  
1 1 1 17 10 3  f 242.0149 2.399699  585.6699       11.59963  605.3147       16.94271  568.3377       15.91426  7.614365       4.799398  
1 1 1 17 10 4  o 200.0695 1.727068  400.4609       6.908116  393.4240       9.611993  407.9789       9.935120  -3.631027      3.454136  
1 1 1 17 10 5  o 186.1384 1.747259  347.3977       6.459904  342.2969       9.684319  351.4867       8.670839  -2.492264      3.494518  
1 1 1 17 10 6  o 238.7321 2.217584  571.4310       10.49695  568.6733       15.90360  573.5599       13.97294  -1.087265      4.435168  
1 1 1 17 10 7  o 186.7422 1.751714  350.2241       6.517900  336.2730       9.525060  362.5093       8.938297  -7.043106      3.503428  
1 1 1 17 10 8  o 26.07518 1.399815  6.844066       0.7194902 5.435002       1.003627  8.333902       1.031991  -5.557875      2.799631  
1 1 1 17 10 9  o 44.50627 1.553134  19.59438       1.141571  19.40645       1.288000  20.28276       2.465135  -0.9404488     3.106268  
1 1 1 17 10 10 o 92.66994 1.270599  84.73760       2.187843  82.69283       2.628562  89.34860       3.947228  -3.544479      2.541198  
1 1 1 17 10 11 o 22.78110 1.721348  5.535983       0.7153112 6.164515       0.8815370 4.324396       1.223925  4.057487       3.442697  
1 1 1 17 10 12 o 42.93736 1.229298  18.60755       1.047737  16.76918       1.524808  20.25189       1.442097  -4.059879      2.458595  
1 1 1 17 10 13 o 11.51490 3.224059  0.7198490      1.123992  -0.1832628     1.835435  1.261751       1.421768  -1.516455      6.448118  
1 1 1 17 10 14 o 83.03354 1.117351  69.23529       1.797827  68.99052       2.927528  69.38350       2.277980  -0.3079987     2.234702  
1 1 1 17 10 15 o 43.01578 1.088593  18.66043       0.9246299 18.06763       1.413087  19.10427       1.222722  -1.231205      2.177185  
1 1 1 17 10 16 o 18.86939 1.958068  3.561878       0.7225793 3.960071       1.173372  3.318624       0.9171053 1.607082       3.916136  
1 1 1 17 10 17 o 27.80773 1.424941  7.630630       0.7787138 8.929332       1.251233  6.809595       0.9948646 3.728756       2.849883  
1 1 1 17 10 18 o 13.55037 1.923220  2.331690       0.4221272 2.659705       0.4799161 1.210426       0.8873042 5.374245       3.846439  
1 1 1 17 10 19 o 7.482595 1.867651  0.5388997      0.3752686 0.8111185      0.4078290 -0.9645801     0.9584463 2.473193       3.735301  
1 1 1 17 10 20 o 9.418880 1.997976  1.091214       0.4233313 1.346875       0.4699461 -0.9094064E-02 0.9749297 3.530373       3.995953  
1 1 1 17 10 21 o 21.02658 2.047115  4.539932       0.8289765 6.542595       1.412748  3.488292       1.023751  6.541342       4.094229  
1 1 1 17 10 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17 11 0  o 9.919273 3.414446  1.474681       0.8507002 0.7290945      1.462017  1.856328       1.046007  0.000000       0.000000  
1 1 1 17 11 1  o 96.27153 0.9308671 92.67979       1.792062  91.28994       2.508500  94.12844       2.561033  -1.473755      1.861734  
1 1 1 17 11 2  o 235.4440 2.634872  541.2825       11.77686  599.7775       20.58305  512.8128       14.35957  18.30418       5.269743  
1 1 1 17 11 3  o 335.2485 3.303635  1126.865       22.13765  1103.795       30.67596  1151.938       31.97942  -7.132751      6.607269  
1 1 1 17 11 4  o 292.2771 2.696632  857.5190       15.63320  864.9432       20.86306  848.0128       23.60785  2.988708       5.393265  
1 1 1 17 11 5  o 81.14597 0.9699216 65.71342       1.571880  62.97210       2.154022  68.83617       2.299004  -3.611298      1.939843  
1 1 1 17 11 6  o 54.67382 0.7691932 29.91335       0.8405143 30.30914       1.171767  29.49387       1.206319  0.7460022      1.538386  
1 1 1 17 11 7  o 17.51435 1.506839  3.091680       0.5217174 3.653158       0.7409719 2.539655       0.7347075 3.178656       3.013677  
1 1 1 17 11 8  o 65.24161 0.8577726 42.64770       1.117621  40.63915       1.596409  44.57840       1.565164  -3.019615      1.715545  
1 1 1 17 11 9  f 136.8749 1.573773  188.4886       4.255753  182.2084       6.488769  193.2294       5.637664  -4.059631      3.147547  
1 1 1 17 11 10 f 109.8252 1.226170  120.7581       2.685319  120.6456       3.658813  120.8894       3.953514  -0.1003265     2.452339  
1 1 1 17 11 11 o 120.0881 1.306394  143.8652       3.119290  139.3481       4.163446  149.6449       4.709541  -4.262733      2.612788  
1 1 1 17 11 12 o 173.5565 1.783060  302.4058       6.188210  310.0583       8.827217  295.0105       8.677603  4.322617       3.566121  
1 1 1 17 11 13 o 63.35968 1.495354  40.23781       1.828511  40.60679       3.016693  40.02352       2.298959  0.3890038      2.990708  
1 1 1 17 11 14 o 52.53692 1.355412  28.01343       1.342731  26.93978       2.300714  28.56803       1.653547  -1.638165      2.710823  
1 1 1 17 11 15 f 12.57581 2.699259  1.595617       0.7516792 2.105291       1.100332  1.149631       1.029291  3.017105       5.398519  
1 1 1 17 11 16 o 30.09903 1.389353  9.136836       0.8329406 9.368958       1.241697  8.946930       1.123120  0.6687241      2.778707  
1 1 1 17 11 17 o 7.275838 1.875715  0.4925027      0.3262166 0.6480598      0.3473906 -0.6681247     0.9488983 1.175029       3.751430  
1 1 1 17 11 18 o 16.36858 1.962487  2.920705       0.4843214 2.989106       0.5397980 2.638299       1.096818  1.662511       3.924975  
1 1 1 17 11 19 o 6.943820 2.087295  -0.3619266E-02 0.3858913 -0.1066562     0.4221487 0.5200942      0.9517346 -3.969710      4.174589  
1 1 1 17 11 20 o 46.55244 1.055901  21.94475       0.9776728 25.43997       1.452654  19.05059       1.321859  6.769722       2.111802  
1 1 1 17 11 21 o 17.15853 2.450490  3.405651       0.8062645 4.180662       1.245733  2.846977       1.057670  3.425666       4.900980  
1 1 1 17 11 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17 12 0  o 117.8005 1.751981  141.3200       3.680294  133.8759       6.922354  144.2532       4.345288  0.000000       0.000000  
1 1 1 17 12 1  o 179.3959 1.810036  320.6627       6.471027  305.7664       8.718088  338.9387       9.656523  -9.227905      3.620072  
1 1 1 17 12 2  o 168.3138 1.706650  282.0516       5.721989  299.7193       8.568807  267.8330       7.687043  9.455734       3.413301  
1 1 1 17 12 3  o 119.8171 1.264364  142.8145       3.015564  151.8183       4.536811  135.6879       4.036246  6.723663       2.528728  
1 1 1 17 12 4  o 114.0147 1.130277  130.4204       2.569772  136.7141       3.559044  123.5655       3.714343  5.768532       2.260554  
1 1 1 17 12 5  o 123.7196 1.369195  155.0460       3.253119  146.3100       5.335252  160.2160       4.104358  -5.644440      2.738390  
1 1 1 17 12 6  o 92.17446 1.172977  85.31031       2.127720  83.33154       3.298969  86.71973       2.784201  -1.848083      2.345954  
1 1 1 17 12 7  f 31.18537 1.012466  9.691189       0.5334015 9.656963       0.6082912 9.805078       1.109634  -0.2277813     2.024932  
1 1 1 17 12 8  o 93.64351 0.9430146 88.00718       1.697972  88.70487       2.130863  86.79358       2.810367  1.036507       1.886029  
1 1 1 17 12 9  o 53.19684 0.9531183 28.63956       0.8378592 28.89408       0.9498707 27.74728       1.778498  1.097355       1.906237  
1 1 1 17 12 10 o 73.48099 0.9611404 55.14495       1.374317  59.85855       1.797647  48.51488       2.132000  7.728630       1.922281  
1 1 1 17 12 11 o 82.42030 0.9808768 67.92870       1.613784  66.95449       2.207797  69.04635       2.364748  -1.263580      1.961754  
1 1 1 17 12 12 o 66.79298 1.064841  43.45721       1.255902  42.13761       1.454862  47.31641       2.487990  -3.819862      2.129682  
1 1 1 17 12 13 o 46.37098 1.149294  21.61120       1.024032  21.74080       1.283454  21.38417       1.698718  0.4195251      2.298588  
1 1 1 17 12 14 o 42.03476 1.174423  17.35678       0.9655251 16.03266       1.223960  19.53832       1.571029  -4.127075      2.348847  
1 1 1 17 12 15 f 53.70922 0.9133459 28.99985       0.9779534 31.66702       1.382940  26.33195       1.383130  4.966644       1.826692  
1 1 1 17 12 16 o 50.87960 0.9389490 26.04718       0.9508778 26.26464       1.286368  25.78522       1.411865  0.4961281      1.877898  
1 1 1 17 12 17 o 19.66036 1.631228  3.960958       0.6258220 4.052050       0.8072450 3.823737       0.9907793 0.6541481      3.262456  
1 1 1 17 12 18 o 12.20629 2.058064  1.725521       0.3962238 1.817479       0.4306630 1.218563       1.011179  2.385236       4.116129  
1 1 1 17 12 19 o 26.88137 1.168072  7.617069       0.4895870 7.799806       0.5469147 6.879924       1.098455  1.944916       2.336144  
1 1 1 17 12 20 o 14.85950 2.363173  2.812835       0.6319126 3.172522       0.7289820 1.725580       1.267419  5.196255       4.726346  
1 1 1 17 12 21 f 11.38814 2.851209  1.396211       0.8598031 2.382402       1.277547  0.5796785      1.162474  4.510226       5.702417  
1 1 1 17 12 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17 13 0  o 216.9935 3.062483  471.4943       13.28485  471.4943       13.28485  471.4943       13.28485  0.000000       0.000000  
1 1 1 17 13 1  o 49.07492 1.417563  21.54182       1.312027  33.06406       2.386272  16.54933       1.570761  16.81270       2.835126  
1 1 1 17 13 2  o 110.2673 1.033347  121.6266       2.278769  122.2537       3.242331  121.0144       3.203354  0.5614471      2.066694  
1 1 1 17 13 3  o 260.2499 2.406953  680.0496       12.44263  690.3494       16.72062  667.2685       18.62629  4.494629       4.813906  
1 1 1 17 13 4  o 56.92171 0.9817620 32.70034       1.050381  33.27266       1.288270  31.56535       1.814195  1.506947       1.963524  
1 1 1 17 13 5  o 170.9009 1.934309  293.7630       6.507203  299.7213       8.529237  285.4648       10.06556  4.216843       3.868619  
1 1 1 17 13 6  o 115.6038 1.105885  133.6519       2.466710  133.4425       3.102658  134.0117       4.066662  -0.2268600     2.211769  
1 1 1 17 13 7  o 104.3934 1.145438  109.0275       2.391068  111.7168       3.418410  106.4514       3.345722  2.520088       2.290875  
1 1 1 17 13 8  o 190.1337 1.789426  360.9248       6.691929  354.7749       8.673265  369.9713       10.51928  -3.913376      3.578852  
1 1 1 17 13 9  o 105.0839 1.030013  110.5219       2.082303  110.5382       2.609858  110.4933       3.454145  0.4462433E-01  2.060025  
1 1 1 17 13 10 o 63.27144 0.8203014 39.30128       0.9640945 38.08205       1.156206  42.08337       1.746544  -3.146461      1.640603  
1 1 1 17 13 11 o 104.1910 1.028262  109.0303       2.065422  110.0194       2.602018  107.3455       3.395908  1.313278       2.056525  
1 1 1 17 13 12 o 182.1418 1.643702  335.4097       5.847676  343.7103       7.553963  322.9970       9.237474  5.850815       3.287404  
1 1 1 17 13 13 o 46.75561 0.8079033 20.97767       0.6834641 19.84294       0.7997868 24.04985       1.315983  -4.463650      1.615807  
1 1 1 17 13 14 o 82.48962 0.9120427 67.93735       1.486325  66.49612       1.945833  69.95616       2.302974  -2.062820      1.824085  
1 1 1 17 13 15 o 61.16882 0.8247397 37.64550       0.9916738 38.19569       1.293768  36.86182       1.544077  1.121624       1.649479  
1 1 1 17 13 16 o 32.00716 1.149474  10.38550       0.7278792 10.77623       0.9720235 9.886694       1.098249  1.420650       2.298948  
1 1 1 17 13 17 o 27.36858 1.453026  7.847301       0.7558450 8.506852       0.9579244 6.759274       1.230344  3.296148       2.906051  
1 1 1 17 13 18 o 11.10795 2.545917  1.334992       0.6541346 1.593284       0.8004096 0.8155366      1.135092  1.934549       5.091834  
1 1 1 17 13 19 o 12.16038 2.387402  1.768043       0.6264712 2.185879       0.7558246 0.8509156      1.119780  4.128036       4.774805  
1 1 1 17 13 20 o 39.33917 0.9393458 16.27283       0.6412227 16.86385       0.7492953 14.65575       1.239412  3.113445       1.878692  
1 1 1 17 13 21 o 12.19300 2.928664  1.856625       0.8471103 1.883723       1.312629  1.837284       1.108952  0.6327820E-01  5.857328  
1 1 1 17 14 0  o 92.06580 1.842042  84.88821       3.388755  84.88821       3.388755  84.88821       3.388755  0.000000       0.000000  
1 1 1 17 14 1  o 102.2012 0.9916075 104.1314       2.022481  99.30088       2.751711  109.8069       2.982669  -5.136955      1.983215  
1 1 1 17 14 2  o 33.43264 1.266907  11.82219       0.7838334 9.323054       1.310582  13.21397       0.9780359 -5.824394      2.533813  
1 1 1 17 14 3  o 57.16324 0.9224805 32.55075       1.051762  34.50024       1.559357  30.92366       1.424594  3.126633       1.844961  
1 1 1 17 14 4  o 185.3012 1.669741  342.9947       5.965199  340.8752       7.486693  346.6797       9.871612  -1.507080      3.339481  
1 1 1 17 14 5  o 74.01518 1.076100  55.02440       1.566809  53.60717       2.430713  56.03183       2.049375  -1.644859      2.152200  
1 1 1 17 14 6  o 155.6794 1.734454  242.5604       5.400373  242.5604       5.400373  ?              ?         ?              ?         
1 1 1 17 14 7  o 43.96216 0.8669437 19.04522       0.7185517 18.49091       0.8739561 20.20166       1.262336  -1.937546      1.733887  
1 1 1 17 14 8  o 139.4272 1.442333  194.6391       4.021505  198.2405       5.739954  191.1669       5.636004  2.532898       2.884665  
1 1 1 17 14 9  o 43.25822 0.9509389 18.87628       0.8102032 19.68685       1.070605  17.78988       1.239450  2.197170       1.901878  
1 1 1 17 14 10 o 169.0242 1.533637  288.3418       5.065723  296.3315       6.554697  276.4922       7.982513  5.941467       3.067274  
1 1 1 17 14 11 o 170.2514 1.555162  287.4067       5.042419  280.2995       6.205914  301.2146       8.650047  -5.989609      3.110323  
1 1 1 17 14 12 o 70.99326 0.9691579 48.77154       1.258028  46.43701       1.484869  54.70967       2.368172  -5.771362      1.938316  
1 1 1 17 14 13 o 71.15720 0.8414524 50.36649       1.129084  49.65933       1.378348  51.80886       1.968524  -1.464615      1.682905  
1 1 1 17 14 14 o 33.23988 0.9839615 10.95844       0.6326663 10.61256       0.7932723 11.56296       1.048735  -1.401817      1.967923  
1 1 1 17 14 15 o 30.04055 1.257446  8.750004       0.7409660 7.167060       0.9465551 11.25503       1.190747  -6.749418      2.514892  
1 1 1 17 14 16 o 71.34924 0.8886514 51.25999       1.247783  51.79980       1.630419  50.49682       1.938586  0.9704742      1.777303  
1 1 1 17 14 17 o 10.07441 2.688506  0.7625666      0.6395681 0.6734419      0.7238337 1.079887       1.365804  -2.622150      5.377013  
1 1 1 17 14 18 o 10.68892 2.385786  1.248559       0.6502900 1.837394       0.7712657 -0.1993648     1.209428  4.637688       4.771572  
1 1 1 17 14 19 o 36.16906 1.014343  13.55214       0.7148959 14.72766       0.9388482 11.92999       1.102875  3.959129       2.028685  
1 1 1 17 14 20 f 17.84371 1.988276  3.589068       0.6423670 3.809416       0.7969565 3.180432       1.085297  2.457985       3.976551  
1 1 1 17 14 21 o 9.016361 2.992779  -0.2245503     1.032672  -0.5204740     2.649189  -0.1715281     1.121377  2.747564       5.985558  
1 1 1 17 15 0  o 184.8176 3.241052  342.2377       11.97184  342.2377       11.97184  342.2377       11.97184  0.000000       0.000000  
1 1 1 17 15 1  o 198.5856 1.730583  394.7305       6.872227  399.8152       9.828817  389.8672       9.612390  2.499496       3.461165  
1 1 1 17 15 2  o 121.8783 1.129843  148.6100       2.753952  147.5641       3.873137  149.6795       3.916579  -0.8671265     2.259685  
1 1 1 17 15 3  o 187.4530 2.091964  354.2874       7.783744  375.6531       10.58925  329.1743       11.48044  12.42505       4.183928  
1 1 1 17 15 4  o 218.5419 2.044149  475.7945       8.771036  464.7142       11.30793  492.5291       13.89671  -6.278397      4.088298  
1 1 1 17 15 5  o 22.67427 1.393709  5.288520       0.5688230 5.487651       0.6781763 4.816026       1.044650  1.490110       2.787419  
1 1 1 17 15 6  o 140.3298 1.484098  198.1613       3.784332  199.5406       4.502994  194.8447       6.982662  1.749725       2.968196  
1 1 1 17 15 7  o 79.37418 1.048574  61.42978       1.417806  60.01871       1.615434  66.16158       2.958212  -3.834969      2.097147  
1 1 1 17 15 8  o 87.35890 0.9792744 76.55626       1.688895  77.57223       2.225295  75.17602       2.593730  1.380806       1.958549  
1 1 1 17 15 9  o 93.03642 0.9708465 86.86267       1.733667  87.47115       2.170146  85.78935       2.882229  0.9247360      1.941693  
1 1 1 17 15 10 o 81.95256 1.075557  68.04046       1.539359  68.90802       1.791012  65.58748       3.011561  2.069481       2.151114  
1 1 1 17 15 11 f 80.83977 0.9554651 65.84586       1.531735  69.33849       2.071245  61.63027       2.275540  4.776489       1.910930  
1 1 1 17 15 12 o 66.86808 1.043782  45.14971       1.368324  46.68751       1.784881  42.95767       2.131007  2.812408       2.087564  
1 1 1 17 15 13 f 40.58612 1.212425  16.85869       0.9546553 15.07791       1.501252  18.06768       1.236974  -3.714333      2.424849  
1 1 1 17 15 14 o 33.06470 1.020585  10.94801       0.6523185 10.87781       0.8218095 11.06757       1.072482  -0.2556610     2.041171  
1 1 1 17 15 15 f 56.28273 0.8583444 31.69711       0.9470127 31.29651       1.219907  32.30468       1.502325  -0.8513832     1.716689  
1 1 1 17 15 16 o 57.20248 1.010652  33.12432       1.061622  33.43691       1.274170  32.41470       1.919783  1.030594       2.021304  
1 1 1 17 15 17 f 38.50705 1.169783  15.78999       0.8089050 17.01938       0.9755287 13.08446       1.447168  5.260181       2.339567  
1 1 1 17 15 18 o 8.485442 2.382278  0.4595917      0.6074234 0.6869838      0.7671474 0.7745257E-01  0.9944933 0.7763100      4.764555  
1 1 1 17 15 19 o 22.93443 1.472754  5.628101       0.6480801 6.296184       0.8425168 4.659938       1.014233  3.714115       2.945509  
1 1 1 17 15 20 o 22.87024 1.866349  5.704178       0.8226153 4.019683       1.149848  7.470204       1.177346  -7.505089      3.732698  
1 1 1 17 15 21 o 13.80694 3.654051  1.363549       1.056413  5.832331       2.750605  0.5903182      1.144164  9.496797       7.308101  
1 1 1 17 16 0  f 15.18058 3.549044  2.901216       0.8873394 3.016451       1.719895  2.859416       1.035846  0.000000       0.000000  
1 1 1 17 16 1  o 156.2245 1.792583  245.7343       5.555247  256.7788       7.498717  232.2994       8.270471  7.854950       3.585166  
1 1 1 17 16 2  o 78.29237 0.8808059 61.60904       1.338969  62.56621       1.707542  60.08078       2.157636  1.593208       1.761612  
1 1 1 17 16 3  o 50.82122 0.9947669 25.83377       1.011105  25.83377       1.011105  ?              ?         ?              ?         
1 1 1 17 16 4  o 88.71193 0.9469258 78.54260       1.613985  78.05087       2.016219  79.41983       2.692975  -0.7602005     1.893852  
1 1 1 17 16 5  o 137.2701 1.346448  187.0976       3.615496  181.5998       4.620648  195.7787       5.806213  -5.133148      2.692896  
1 1 1 17 16 6  o 92.41094 1.068921  85.35526       1.969719  84.10214       2.675234  86.83883       2.910866  -1.474594      2.137843  
1 1 1 17 16 7  o 59.23249 0.8858987 34.95251       1.012948  34.53287       1.271732  35.68077       1.675333  -0.9600677     1.771797  
1 1 1 17 16 8  o 132.1777 1.242179  175.7761       3.189635  178.6309       4.071998  171.2433       5.131068  2.830246       2.484358  
1 1 1 17 16 9  o 154.1430 1.636517  239.7800       4.557157  241.9491       5.404446  234.4428       8.477440  2.593246       3.273034  
1 1 1 17 16 10 f 97.70981 1.214996  96.13898       2.205096  97.04388       2.670176  94.19843       3.910247  1.509491       2.429991  
1 1 1 17 16 11 o 51.32869 1.007925  26.30432       1.032718  25.10136       1.408031  27.70485       1.519271  -2.530067      2.015849  
1 1 1 17 16 12 o 50.19550 0.9328002 25.35920       0.9080011 25.73910       1.155614  24.74624       1.467906  1.009682       1.865600  
1 1 1 17 16 13 o 56.45283 1.060667  31.78165       1.101800  31.48622       1.318007  32.46717       2.007686  -0.7942314     2.121333  
1 1 1 17 16 14 o 24.07082 1.576429  6.137003       0.5652456 6.294362       0.6236625 5.413108       1.337653  1.964211       3.152859  
1 1 1 17 16 15 o 76.22472 1.325483  58.42643       1.601780  58.28508       1.785392  59.00951       3.626328  -0.3903198E-01 2.650967  
1 1 1 17 16 16 o 26.27496 1.367594  6.752637       0.6641631 6.400785       0.7901653 7.599609       1.225949  -2.147808      2.735188  
1 1 1 17 16 17 o 20.13751 1.587657  4.088613       0.6092242 3.980588       0.7505642 4.297227       1.043030  -0.6558266     3.175315  
1 1 1 17 16 18 o 18.33057 1.745929  3.521258       0.6045584 3.625870       0.7493269 3.326181       1.023250  1.004210       3.491857  
1 1 1 17 16 19 o 17.99099 2.015137  3.882739       0.6303114 4.710704       0.7931471 2.463592       1.038393  6.766530       4.030274  
1 1 1 17 16 20 o 7.728972 2.392252  -0.1459607     0.6987067 -0.6046394     0.8912201 0.5856168      1.125540  -2.893539      4.784503  
1 1 1 17 16 21 o 16.78405 3.667280  3.858426       1.178505  4.699752       2.839865  3.683396       1.295305  -0.8623962     7.334560  
1 1 1 17 17 0  o 48.13852 1.375590  23.59104       1.204427  22.56780       2.185385  24.03743       1.443429  0.000000       0.000000  
1 1 1 17 17 1  o 106.7932 1.058909  113.6162       2.179405  112.3040       2.730287  115.9208       3.618180  -1.678596      2.117818  
1 1 1 17 17 2  o 30.12874 1.270436  8.758269       0.6783144 8.406110       0.7856930 9.788985       1.344168  -2.283373      2.540872  
1 1 1 17 17 3  o 124.5462 1.750768  156.0941       3.302640  156.4884       3.635354  154.2313       7.902339  1.031334       3.501536  
1 1 1 17 17 4  o 178.8650 1.625292  320.4602       5.622196  320.6705       7.099515  320.1064       9.207142  0.2232819      3.250584  
1 1 1 17 17 5  o 93.01739 1.104630  86.71601       1.853562  86.88314       2.191871  86.29647       3.472826  0.3464203      2.209259  
1 1 1 17 17 6  o 153.7963 1.427614  234.1024       4.178074  228.1208       5.136158  245.8034       7.183553  -5.675430      2.855228  
1 1 1 17 17 7  o 67.27705 0.9091176 45.38317       1.197112  45.75304       1.545105  44.82772       1.893460  0.6958008      1.818235  
1 1 1 17 17 8  o 106.1779 1.118609  113.0590       2.343395  114.1284       3.079789  111.5886       3.611472  1.213470       2.237218  
1 1 1 17 17 9  o 46.54894 0.9188945 20.94662       0.7830516 19.93219       0.9249496 23.51309       1.471215  -3.829674      1.837789  
1 1 1 17 17 10 o 100.1685 1.028844  101.6392       2.000184  105.7367       2.567234  95.30968       3.190725  5.229851       2.057688  
1 1 1 17 17 11 o 115.6464 1.141134  132.7930       2.507633  130.1106       3.081554  138.0512       4.314529  -3.345589      2.282267  
1 1 1 17 17 12 o 74.14932 0.9216586 55.20178       1.325954  55.54095       1.684952  54.65011       2.148927  0.6371460      1.843317  
1 1 1 17 17 13 o 58.78455 0.8520114 34.35762       0.9311511 33.89923       1.122099  35.37136       1.668680  -1.203728      1.704023  
1 1 1 17 17 14 o 8.755276 2.475566  0.3069564      0.5299485 0.1889643      0.5861270 0.8354691      1.240490  -3.950319      4.951132  
1 1 1 17 17 15 o 39.00161 0.9771494 14.99495       0.7337406 14.23629       0.9105623 16.39974       1.239063  -2.705807      1.954299  
1 1 1 17 17 16 o 32.95394 1.160597  10.96638       0.7567580 11.01030       1.001153  10.90783       1.155881  0.1985016      2.321195  
1 1 1 17 17 17 o 24.45635 1.421015  6.084903       0.6941268 6.096288       0.9578759 6.072313       1.007273  0.7020760E-01  2.842030  
1 1 1 17 17 18 o 15.57699 2.026706  2.495825       0.5907698 2.173211       0.7361308 3.079584       0.9902164 -2.645137      4.053412  
1 1 1 17 17 19 o 18.17943 1.943452  3.696779       0.6507059 4.044860       0.8290055 3.138151       1.050216  3.033613       3.886905  
1 1 1 17 17 20 o 27.44787 1.759936  8.232122       0.8513604 8.379906       1.002040  7.848569       1.614308  1.891701       3.519871  
1 1 1 17 17 21 o 8.645922 3.832085  0.000000       0.000000  ?              ?         0.2482611      1.320083  ?              ?         
1 1 1 17 18 0  o 79.40503 1.529931  61.63007       2.139819  59.91840       2.479504  66.62486       4.235592  0.000000       0.000000  
1 1 1 17 18 1  f 150.9292 1.390891  229.6685       4.107544  236.4823       5.330201  219.7057       6.445244  5.585098       2.781782  
1 1 1 17 18 2  o 123.5042 1.240254  153.0492       3.045619  156.6210       4.118699  148.7397       4.524101  3.199974       2.480507  
1 1 1 17 18 3  o 60.47593 0.8612939 36.99092       1.005631  38.21933       1.277869  34.99258       1.629861  2.673607       1.722588  
1 1 1 17 18 4  o 139.1306 1.483369  196.4743       3.793708  200.7177       4.570112  187.0694       6.803692  4.975143       2.966738  
1 1 1 17 18 5  o 154.9544 1.647655  239.3507       4.565527  237.8590       5.358290  243.3028       8.721796  -1.620697      3.295311  
1 1 1 17 18 6  o 43.83249 0.9860563 19.18283       0.8290558 19.07420       1.033646  19.37875       1.388166  -0.3386993     1.972113  
1 1 1 17 18 7  o 85.76337 1.003360  73.25198       1.679683  72.00546       2.143842  75.23361       2.703053  -1.866806      2.006719  
1 1 1 17 18 8  o 97.87053 1.027204  94.87793       1.904931  92.83108       2.332894  98.97330       3.299887  -3.106697      2.054408  
1 1 1 17 18 9  o 62.63865 0.8862497 38.90011       1.031927  38.29039       1.242617  40.25496       1.852325  -1.549603      1.772499  
1 1 1 17 18 10 o 112.6035 1.123760  126.9932       2.427135  126.9694       3.030178  127.0359       4.054139  0.2257538E-01  2.247519  
1 1 1 17 18 11 o 59.97609 0.9777223 36.81675       1.116503  38.82596       1.402943  33.34614       1.843870  4.595879       1.955445  
1 1 1 17 18 12 o 47.48608 1.051226  23.22247       0.8490669 23.80126       0.9785915 21.45985       1.707732  2.534801       2.102451  
1 1 1 17 18 13 o 45.10137 0.9052337 20.65939       0.7516652 21.09278       0.9065207 19.70579       1.344690  1.580639       1.810467  
1 1 1 17 18 14 f 30.45579 1.054364  9.249207       0.5923603 9.130416       0.7094695 9.522614       1.076334  -0.5789967     2.108728  
1 1 1 17 18 15 o 59.25095 0.8755538 34.94248       1.011060  33.86917       1.283292  36.69911       1.641734  -2.321301      1.751108  
1 1 1 17 18 16 o 28.66831 1.249564  7.938457       0.6659970 7.351285       0.7930185 9.343770       1.226838  -3.330290      2.499129  
1 1 1 17 18 17 o 10.87409 2.552763  1.225259       0.6471557 1.236364       0.8840018 1.212433       0.9499897 -0.7530212E-02 5.105527  
1 1 1 17 18 18 o 13.73441 2.219343  2.033551       0.5901766 1.867882       0.7700654 2.269374       0.9187544 -1.279938      4.438685  
1 1 1 17 18 19 o 9.590923 2.445800  0.9367471      0.5942706 1.039677       0.7438129 0.7550847      0.9881532 0.4331779      4.891600  
1 1 1 17 18 20 o 14.02586 3.167016  2.598614       1.018244  2.931406       1.367897  2.185050       1.524891  2.073767       6.334033  
1 1 1 17 18 21 o 11.44271 4.332508  0.000000       0.000000  ?              ?         1.777316       1.361591  ?              ?         
1 1 1 17 19 0  o 31.06351 1.466609  9.904626       0.8801888 10.39861       1.144360  9.189065       1.377309  0.000000       0.000000  
1 1 1 17 19 1  o 54.22865 1.037308  29.15543       0.9848337 28.87271       1.140844  29.98227       1.951028  -1.007217      2.074615  
1 1 1 17 19 2  o 61.90561 0.8782645 38.43047       1.036407  38.64163       1.286033  38.03925       1.750512  0.4946404      1.756529  
1 1 1 17 19 3  o 60.94247 1.013531  36.97601       1.231846  39.71278       1.827989  34.69933       1.667270  4.109650       2.027063  
1 1 1 17 19 4  o 39.95796 1.119670  16.45731       0.7900794 17.03855       0.9305335 14.95595       1.495526  2.621124       2.239340  
1 1 1 17 19 5  o 150.2835 1.460466  226.2217       4.335316  226.3755       5.701454  226.0109       6.675165  0.1568604      2.920931  
1 1 1 17 19 6  o 66.73958 1.034530  44.70221       1.219154  44.84479       1.423459  44.30968       2.361828  0.4254303      2.069060  
1 1 1 17 19 7  o 119.5029 1.344097  142.5747       2.855994  142.0444       3.342382  144.0093       5.497721  -0.7388687     2.688194  
1 1 1 17 19 8  o 127.6858 1.422807  162.3018       3.219723  161.1049       3.757582  165.6080       6.245234  -1.648552      2.845614  
1 1 1 17 19 9  o 51.86129 1.100732  26.75968       0.9426658 26.62886       1.064731  27.23409       2.027612  -0.5454140     2.201464  
1 1 1 17 19 10 o 46.63734 1.093055  20.97675       0.8403800 20.38609       0.9434963 23.24451       1.848715  -3.011410      2.186110  
1 1 1 17 19 11 o 79.07009 0.9267021 63.17571       1.398100  64.51566       1.744123  60.76682       2.338540  2.408783       1.853404  
1 1 1 17 19 12 o 69.23352 0.9739730 48.20295       1.344002  50.21454       1.850976  45.95965       1.954671  3.083122       1.947946  
1 1 1 17 19 13 o 42.41425 0.9256628 17.10423       0.7155017 15.89311       0.8389434 20.33548       1.370328  -5.175072      1.851326  
1 1 1 17 19 14 o 23.55465 1.380035  5.613513       0.5662224 5.624671       0.6564398 5.581080       1.119138  0.2055626      2.760071  
1 1 1 17 19 15 o 49.45987 0.8811016 24.61169       0.8039584 24.66771       0.9665047 24.48588       1.448456  0.2721558      1.762203  
1 1 1 17 19 16 o 42.67277 0.9460605 18.47553       0.7936381 19.13412       1.042111  17.56610       1.224589  1.886585       1.892121  
1 1 1 17 19 17 o 38.74076 1.081846  15.13265       0.8271017 14.84153       1.080415  15.54480       1.285542  -0.8263664     2.163692  
1 1 1 17 19 18 f 18.18315 1.764709  3.388499       0.6298755 3.105651       0.8042841 3.837138       1.012935  -1.815889      3.529418  
1 1 1 17 19 19 o 7.877616 2.373112  0.1988437      0.6353777 0.1522590      0.7949573 0.2812371      1.057227  -1.135873      4.746223  
1 1 1 17 19 20 o 11.87268 3.232434  1.620080       1.238645  -0.6770668     2.230535  2.644297       1.489398  -4.376806      6.464868  
1 1 1 17 19 21 o 10.85146 4.364308  0.000000       0.000000  ?              ?         1.482827       1.451031  ?              ?         
1 1 1 17 20 0  o 125.6941 1.642020  158.2693       4.124294  161.4285       5.860069  155.1686       5.805578  0.000000       0.000000  
1 1 1 17 20 1  o 131.6357 1.202050  173.3782       3.163944  176.1432       4.533535  170.7527       4.417699  2.044403       2.404100  
1 1 1 17 20 2  o 182.3019 1.896098  338.6395       6.376426  347.8960       7.715296  318.6915       11.32606  8.167953       3.792196  
1 1 1 17 20 3  o 195.7230 2.031986  384.8830       7.195947  385.8106       8.528477  382.5906       13.40706  1.065765       4.063972  
1 1 1 17 20 4  o 79.27708 0.9848933 62.84304       1.550772  62.48195       2.071759  63.30318       2.338664  -0.5113525     1.969787  
1 1 1 17 20 5  o 174.6845 1.671983  306.4434       5.794745  311.4081       7.756522  300.1726       8.717392  3.257019       3.343966  
1 1 1 17 20 6  o 44.50314 1.042263  19.47648       0.8973197 18.53328       1.121440  21.15504       1.496031  -2.934673      2.084527  
1 1 1 17 20 7  o 121.7874 1.191567  149.8215       2.824514  154.5500       3.632725  142.5932       4.491490  4.941330       2.383135  
1 1 1 17 20 8  o 154.0266 1.440616  237.6944       4.275615  237.6115       5.369976  237.8380       7.066855  0.1043701E-01  2.881232  
1 1 1 17 20 9  o 35.17744 1.150216  11.93548       0.7404095 11.31044       0.8736559 13.52871       1.394839  -3.127422      2.300432  
1 1 1 17 20 10 o 37.67632 1.058565  14.27301       0.7443935 14.36146       0.9044734 14.08731       1.310500  0.3910789      2.117129  
1 1 1 17 20 11 o 16.74108 1.952526  2.528858       0.5972102 2.010397       0.7028567 3.875184       1.132619  -5.688258      3.905052  
1 1 1 17 20 12 o 55.04193 0.8732919 30.17807       0.9042763 29.82109       1.101930  30.91423       1.582394  -0.9493599     1.746584  
1 1 1 17 20 13 o 31.23946 1.106275  10.00291       0.6266813 10.29451       0.7492362 9.323757       1.143415  1.609484       2.212549  
1 1 1 17 20 14 o 12.09978 2.298983  1.214566       0.5457140 0.7129974      0.6390302 2.565639       1.048808  -6.746671      4.597966  
1 1 1 17 20 15 o 48.56416 0.9137564 24.09522       0.8281247 24.83018       1.012894  22.61350       1.438187  2.367584       1.827513  
1 1 1 17 20 16 o 13.69658 2.331476  1.962221       0.6106427 1.777837       0.7573571 2.304781       1.032306  -1.676240      4.662951  
1 1 1 17 20 17 o 43.05835 1.003780  18.72392       0.8449689 18.67185       1.085625  18.80393       1.345788  -0.5624390E-01 2.007560  
1 1 1 17 20 18 o 23.30569 1.480049  5.633856       0.6740973 5.639159       0.8672742 5.625764       1.071390  0.2081776      2.960098  
1 1 1 17 20 19 o 28.17788 1.353783  8.293019       0.7592276 8.717457       1.043001  7.814637       1.107301  1.669678       2.707566  
1 1 1 17 20 20 o 12.24893 3.530119  1.571688       1.258498  2.998721       2.321078  0.9774689      1.497773  3.753393       7.060237  
1 1 1 17 21 0  o 9.025896 3.383630  1.180924       0.8013945 1.161974       1.036892  1.209035       1.262933  0.000000       0.000000  
1 1 1 17 21 1  o 159.4496 1.420869  254.5992       4.531026  253.4328       6.380188  255.7862       6.435853  -0.7359924     2.841739  
1 1 1 17 21 2  o 91.49528 1.001135  83.62086       1.813540  82.71655       2.394318  84.83791       2.777623  -1.149582      2.002269  
1 1 1 17 21 3  o 98.64773 1.197687  96.90994       2.094996  96.33157       2.446404  98.50056       4.057052  -1.052261      2.395374  
1 1 1 17 21 4  o 85.09734 0.9993093 70.79826       1.635124  66.75759       2.022930  78.41358       2.777148  -6.829369      1.998619  
1 1 1 17 21 5  f 119.0693 1.241014  141.1256       2.900980  137.8074       3.739143  146.1431       4.597955  -3.471214      2.482028  
1 1 1 17 21 6  o 127.9838 1.289999  164.6879       3.275408  169.7175       4.402105  158.4500       4.902435  4.421738       2.579997  
1 1 1 17 21 7  o 95.16634 1.029516  90.82289       1.880266  91.24924       2.351871  90.06769       3.130139  0.6474228      2.059031  
1 1 1 17 21 8  o 90.76976 1.009875  81.68338       1.733767  80.08218       2.120191  84.91527       3.012172  -2.628845      2.019750  
1 1 1 17 21 9  o 111.1864 1.125070  124.3946       2.412091  125.9244       3.042309  121.8052       3.958024  1.905937       2.250139  
1 1 1 17 21 10 o 104.6978 1.264160  110.2155       2.484878  110.7391       3.034633  109.1501       4.328889  0.8651352      2.528320  
1 1 1 17 21 11 o 47.71520 0.9203455 22.71045       0.8210169 22.51395       0.9954002 23.12862       1.452077  -0.6040688     1.840691  
1 1 1 17 21 12 o 15.61194 2.072021  2.403306       0.5823759 2.237599       0.6896936 2.814991       1.087097  -1.431519      4.144042  
1 1 1 17 21 13 o 8.159468 2.309206  0.2516545      0.5347046 0.6158905E-01  0.6385639 0.6976075      0.9781315 -2.979186      4.618412  
1 1 1 17 21 14 o 16.46127 1.977916  2.839067       0.5541021 2.857111       0.6449469 2.788210       1.082792  0.6950054      3.955832  
1 1 1 17 21 15 o 19.83258 1.631458  4.141510       0.5816606 4.340005       0.6958930 3.681341       1.059565  1.799314       3.262916  
1 1 1 17 21 16 o 45.07647 1.077619  20.44078       0.9690697 22.57831       1.415252  18.55390       1.329689  4.436623       2.155239  
1 1 1 17 21 17 o 52.75998 0.9655024 28.30947       0.9938354 28.99733       1.281425  27.27116       1.574365  1.747639       1.931005  
1 1 1 17 21 18 o 9.848295 2.575827  0.9572173      0.6620456 0.9957094      0.8355137 0.8922724      1.085275  -0.1483631     5.151654  
1 1 1 17 21 19 o 20.71835 2.271474  4.837679       0.9167532 4.312662       1.281838  5.387398       1.311646  -2.817587      4.542949  
1 1 1 17 21 20 o 11.26789 5.401620  0.000000       0.000000  ?              ?         -0.7679614     3.480406  ?              ?         
1 1 1 17 22 0  o 163.7875 2.060160  268.7327       6.739027  264.2065       9.326120  273.6785       9.748767  0.000000       0.000000  
1 1 1 17 22 1  o 19.57239 1.718074  3.966151       0.6491164 4.522731       0.8554039 3.210536       0.9966859 3.358091       3.436148  
1 1 1 17 22 2  o 25.56844 1.296979  6.536770       0.6626619 6.744761       0.9618544 6.348857       0.9142477 0.7726421      2.593957  
1 1 1 17 22 3  o 48.23579 0.9796585 23.53116       0.9191523 24.42799       1.183127  22.16584       1.459798  2.351833       1.959317  
1 1 1 17 22 4  o 107.8742 1.316843  117.1223       2.675013  118.3237       3.280719  114.7392       4.620579  1.708992       2.633686  
1 1 1 17 22 5  o 80.73944 1.025032  65.36205       1.633356  65.97221       2.148131  64.52583       2.514789  0.9070053      2.050063  
1 1 1 17 22 6  o 48.31890 1.018238  22.62026       0.9312128 21.18811       1.129538  25.65891       1.645310  -4.609055      2.036475  
1 1 1 17 22 7  o 98.67469 1.116787  96.79994       2.158129  94.22414       2.765893  100.8087       3.450527  -3.309586      2.233574  
1 1 1 17 22 8  o 118.9346 1.183769  142.2264       2.719922  143.7735       3.438360  139.6395       4.446141  1.789513       2.367538  
1 1 1 17 22 9  o 36.77547 1.196926  13.95115       0.7911601 14.49739       0.9428861 12.65162       1.454331  2.547161       2.393852  
1 1 1 17 22 10 o 62.46846 0.9240026 38.43439       1.077234  37.30605       1.297728  40.93474       1.931818  -2.857876      1.848005  
1 1 1 17 22 11 o 23.26518 1.631351  5.553077       0.7317115 5.866335       0.9348979 5.057793       1.175547  1.777800       3.262702  
1 1 1 17 22 12 o 66.30222 0.9013510 44.17946       1.126659  44.36261       1.381280  43.81539       1.947461  0.4767990      1.802702  
1 1 1 17 22 13 o 46.24763 0.9136474 21.48574       0.7886978 21.49407       0.9570689 21.46811       1.392281  0.9981537E-01  1.827295  
1 1 1 17 22 14 o 15.53874 2.107081  3.264253       0.5638647 4.103127       0.6640370 1.095871       1.067607  9.272530       4.214163  
1 1 1 17 22 15 o 21.95802 1.671279  4.482261       0.5974132 4.191411       0.6633095 5.731773       1.374836  -3.182341      3.342558  
1 1 1 17 22 16 o 19.52119 1.916360  3.951022       0.7409014 3.909797       0.9802038 4.005967       1.131617  -0.1388435     3.832720  
1 1 1 17 22 17 o 26.53089 1.437201  7.201982       0.7583625 7.220392       1.021343  7.179359       1.132173  0.1396046      2.874401  
1 1 1 17 22 18 o 15.72433 2.410803  2.823914       0.7361521 2.664740       1.025680  2.993017       1.057187  -0.9745798     4.821607  
1 1 1 17 22 19 o 15.67725 3.305789  3.490590       0.9731622 3.648141       1.012177  1.564274       3.539231  5.069567       6.611578  
1 1 1 17 22 20 o 11.43003 4.556582  0.000000       0.000000  ?              ?         1.684478       1.563755  ?              ?         
1 1 1 17 23 0  o 295.1131 4.432408  870.5634       24.32232  857.2772       29.33851  899.7632       43.49379  0.000000       0.000000  
1 1 1 17 23 1  o 52.41108 0.8478682 27.47211       0.8885048 28.39156       1.270083  26.59086       1.243412  1.717274       1.695736  
1 1 1 17 23 2  o 132.6463 1.225190  175.9670       3.248082  180.9252       4.701615  171.4401       4.492483  3.568451       2.450381  
1 1 1 17 23 3  o 224.4978 2.107022  506.2488       9.382107  502.0042       14.17949  509.5542       12.51285  -1.780121      4.214043  
1 1 1 17 23 4  o 105.9911 1.103698  111.4626       2.235554  109.1645       2.764779  115.8029       3.799492  -3.097206      2.207396  
1 1 1 17 23 5  o 68.05711 1.107706  45.07989       1.292781  43.91941       1.476627  48.88921       2.675316  -3.608879      2.215411  
1 1 1 17 23 6  o 56.28253 1.031391  31.56266       1.145376  30.84184       1.493914  32.59064       1.784042  -1.543274      2.062782  
1 1 1 17 23 7  o 57.35966 0.9567026 32.58403       1.028425  31.95125       1.246371  33.93393       1.820430  -1.706852      1.913405  
1 1 1 17 23 8  o 47.95658 1.088670  23.03537       1.021824  23.01522       1.315798  23.06598       1.621898  -0.3475571E-01 2.177340  
1 1 1 17 23 9  f 36.75116 1.704721  13.01453       1.029558  12.61160       1.154007  14.58624       2.279188  -2.564083      3.409442  
1 1 1 17 23 10 o 66.76138 0.9766583 44.79618       1.281698  45.30468       1.670603  44.06864       1.998281  0.9558563      1.953317  
1 1 1 17 23 11 o 30.90679 1.265246  9.613387       0.7626709 9.667437       0.9775155 9.529298       1.219272  0.2557755      2.530492  
1 1 1 17 23 12 o 47.09039 0.9889657 22.23531       0.9062708 22.15933       1.154473  22.35733       1.462942  -0.1691513     1.977931  
1 1 1 17 23 13 o 29.95181 1.241605  8.850103       0.7161881 8.356821       0.8883537 9.766014       1.210499  -2.274961      2.483211  
1 1 1 17 23 14 o 28.73243 1.242804  8.102238       0.6776065 7.634982       0.8252745 9.068954       1.187054  -2.395878      2.485609  
1 1 1 17 23 15 o 26.90460 1.539967  7.357294       0.8237526 7.193353       1.101377  7.565440       1.241007  -0.6297512     3.079933  
1 1 1 17 23 16 o 30.91858 1.223416  9.889812       0.6921567 10.18604       0.8336676 9.232551       1.241796  1.716257       2.446832  
1 1 1 17 23 17 o 23.43587 1.696898  5.838130       0.7615736 6.151889       0.9661375 5.323233       1.237658  2.011366       3.393796  
1 1 1 17 23 18 o 12.57715 2.588581  1.850640       0.7069620 2.282420       0.9854466 1.392763       1.014790  2.869655       5.177163  
1 1 1 17 23 19 o 13.33739 3.274902  2.390946       1.099060  2.781129       1.350842  1.626868       1.890338  2.653066       6.549805  
1 1 1 17 23 20 o 22.19191 4.616146  0.000000       0.000000  ?              ?         6.923993       1.980930  ?              ?         
1 1 1 17 24 0  o 76.66116 1.249348  58.71674       1.908205  56.54383       2.588390  61.30364       2.824226  0.000000       0.000000  
1 1 1 17 24 1  o 69.10706 0.9305730 47.75811       1.277263  48.07255       1.925935  47.51121       1.706545  0.4002914      1.861146  
1 1 1 17 24 2  o 100.4860 1.290876  101.2178       2.570583  100.3477       3.899668  101.8863       3.418396  -0.7840118     2.581753  
1 1 1 17 24 3  o 46.71983 0.9132662 21.80382       0.8519879 21.18492       1.166206  22.51225       1.247704  -1.418194      1.826532  
1 1 1 17 24 4  o 53.09327 1.030378  28.00244       1.068979  27.24862       1.364094  29.20210       1.720839  -1.827614      2.060756  
1 1 1 17 24 5  o 15.75411 2.545710  2.464581       0.7379102 2.245022       0.8831517 2.972354       1.343055  -2.168358      5.091419  
1 1 1 17 24 6  f 56.17643 1.213160  30.93694       1.265954  29.86065       1.517076  33.40506       2.297334  -3.119331      2.426321  
1 1 1 17 24 7  o 85.51894 1.163136  71.67857       1.718329  70.17032       1.971811  76.43953       3.503294  -3.581696      2.326272  
1 1 1 17 24 8  o 23.75777 1.520500  5.778481       0.6846080 6.038705       0.8535426 5.309112       1.146327  1.563808       3.041000  
1 1 1 17 24 9  o 75.14014 0.9724467 57.04177       1.394327  58.16129       1.738905  55.02580       2.333463  2.132759       1.944893  
1 1 1 17 24 10 o 61.47341 1.017039  37.51048       1.236163  35.46806       1.612570  40.42109       1.925038  -3.995846      2.034078  
1 1 1 17 24 11 o 28.61335 1.245774  7.985548       0.6702411 7.546934       0.8089427 8.945921       1.197008  -2.386038      2.491549  
1 1 1 17 24 12 o 30.81593 1.180963  9.301785       0.6661192 8.937955       0.7884492 10.20906       1.245065  -1.968624      2.361926  
1 1 1 17 24 13 o 35.24310 1.149005  12.57313       0.7682068 12.68928       0.9494595 12.35296       1.307203  0.5645103      2.298010  
1 1 1 17 24 14 o 14.94172 2.452240  2.074965       0.6348599 1.743818       0.7226816 3.194459       1.328763  -4.323638      4.904479  
1 1 1 17 24 15 o 35.97974 1.114822  13.04451       0.7631791 12.97345       0.9428706 13.17952       1.299628  -0.1733894     2.229643  
1 1 1 17 24 16 o 13.12390 2.974238  1.831046       0.6863516 1.884753       0.7274803 1.395959       2.070602  0.1471691      5.948476  
1 1 1 17 24 17 o 34.06141 1.838399  12.34096       0.9259552 12.38267       1.016457  12.13752       2.244814  1.622147       3.676798  
1 1 1 17 24 18 o 10.61402 2.714743  1.218848       0.7397637 1.114239       1.003234  1.343508       1.095169  -0.7253237     5.429486  
1 1 1 17 24 19 o 9.456537 2.924509  0.4518633      1.033749  0.7733217      1.242682  -0.2703934     1.862703  0.2738867      5.849018  
1 1 1 17 25 0  o 113.7398 1.559722  129.5606       3.542192  127.4742       4.895895  131.8523       5.131219  0.000000       0.000000  
1 1 1 17 25 1  o 96.80936 1.151847  93.79646       2.227858  93.06643       3.075570  94.60242       3.231549  -0.7875824     2.303694  
1 1 1 17 25 2  o 135.0757 1.248029  182.6847       3.371076  180.9579       4.719335  184.4837       4.817010  -1.301147      2.496058  
1 1 1 17 25 3  o 102.1158 1.244802  104.7320       2.419273  103.4380       4.097221  105.4247       2.997630  -1.017944      2.489603  
1 1 1 17 25 4  o 77.22054 0.9680989 59.50875       1.482898  61.02549       2.258370  58.35914       1.966137  1.716667       1.936198  
1 1 1 17 25 5  f 129.4711 1.328132  167.5557       3.387392  165.7508       4.412424  170.1461       5.286056  -1.654037      2.656264  
1 1 1 17 25 6  o 148.7744 1.421842  219.4394       4.030104  214.0054       4.962079  229.9706       6.907889  -5.240829      2.843684  
1 1 1 17 25 7  o 89.45921 1.030794  78.55225       1.729768  75.66527       2.090267  84.82484       3.081089  -5.056770      2.061589  
1 1 1 17 25 8  o 90.56345 1.049359  82.77137       1.878941  86.59624       2.510833  77.90329       2.832621  4.822449       2.098719  
1 1 1 17 25 9  o 110.5682 1.416815  121.6387       3.009897  118.4421       3.743537  127.4835       5.062088  -3.910767      2.833630  
1 1 1 17 25 10 o 87.38749 1.195739  76.61102       1.942469  76.47038       2.347443  76.91643       3.459486  -0.1166992     2.391478  
1 1 1 17 25 11 o 14.47385 2.611426  2.303665       0.7130499 2.467916       0.8386629 1.875213       1.354517  1.769368       5.222852  
1 1 1 17 25 12 o 52.09170 1.109638  27.84272       0.9862003 28.35622       1.136492  26.27724       1.984362  2.160267       2.219276  
1 1 1 17 25 13 o 13.34075 2.650860  1.810579       0.6422610 1.758968       0.7236024 2.002200       1.394287  -0.9664392     5.301720  
1 1 1 17 25 14 o 17.73984 2.392020  3.017056       0.6728283 2.799754       0.7462400 3.961338       1.555602  -2.347059      4.784041  
1 1 1 17 25 15 o 14.37640 2.399930  2.421669       0.6462741 2.704791       0.7579736 1.667774       1.236869  3.688011       4.799859  
1 1 1 17 25 16 o 10.71443 2.422670  1.262074       0.6033038 1.567931       0.7191880 0.5356777      1.108332  2.579755       4.845341  
1 1 1 17 25 17 o 9.526013 2.239566  0.9844284      0.5736334 1.494519       0.6782252 -0.2975001     1.075182  4.029864       4.479132  
1 1 1 17 25 18 f 7.528263 2.385232  -0.5279796     0.8202060 0.4863784      1.049217  -2.121923      1.315244  2.463377       4.770465  
1 1 1 17 25 19 o 11.93949 4.723378  0.000000       0.000000  ?              ?         1.731983       1.668540  ?              ?         
1 1 1 17 26 0  o 132.5689 2.171553  178.1956       5.471172  170.5427       9.187889  182.4002       6.810253  0.000000       0.000000  
1 1 1 17 26 1  o 57.64395 0.9290679 33.27304       1.059011  33.37207       1.397770  33.13960       1.622584  0.2086983      1.858136  
1 1 1 17 26 2  o 74.22069 0.9729605 55.10014       1.434232  55.45487       2.162731  54.82167       1.916193  0.4183350      1.945921  
1 1 1 17 26 3  o 145.2051 1.326582  211.1096       3.850883  207.7322       5.352903  214.7326       5.544069  -2.401535      2.653165  
1 1 1 17 26 4  o 52.09142 0.9344109 27.18995       0.9724446 28.12809       1.360684  26.21055       1.390282  1.841610       1.868822  
1 1 1 17 26 5  o 42.71926 1.114719  18.00342       0.8931137 17.50951       1.081229  19.06416       1.584531  -1.794495      2.229438  
1 1 1 17 26 6  o 50.49452 1.049848  25.32229       1.007010  24.85030       1.237482  26.24756       1.732624  -1.353130      2.099697  
1 1 1 17 26 7  o 114.9293 1.349627  131.5967       2.774530  130.4536       3.255210  134.6328       5.305064  -1.641197      2.699255  
1 1 1 17 26 8  o 82.42067 1.000650  67.26761       1.554944  65.66245       1.893647  70.59028       2.724480  -2.916092      2.001300  
1 1 1 17 26 9  o 54.84159 1.054081  29.93837       1.144890  28.58540       1.503207  31.80739       1.766776  -2.908562      2.108161  
1 1 1 17 26 10 o 28.07196 1.385057  7.841092       0.7312763 7.669037       0.8889986 8.201130       1.286002  -0.8812923     2.770115  
1 1 1 17 26 11 o 63.75395 0.9374748 40.33960       1.109657  39.55871       1.333930  42.09414       1.999488  -1.884922      1.874950  
1 1 1 17 26 12 o 29.18885 1.313027  8.242033       0.6988291 7.757956       0.8217490 9.506846       1.328296  -2.854902      2.626055  
1 1 1 17 26 13 o 22.63131 1.933250  5.298310       0.7070038 5.337332       0.7958179 5.152170       1.540072  0.7201519      3.866501  
1 1 1 17 26 14 o 47.95574 1.001958  23.08278       0.8787423 22.93455       1.047340  23.43528       1.615050  -0.3629646     2.003916  
1 1 1 17 26 15 o 16.26959 2.155351  2.564289       0.6131227 2.276852       0.7081058 3.425308       1.225557  -2.786382      4.310702  
1 1 1 17 26 16 f 10.04925 2.502831  1.047476       0.6223688 1.285945       0.7257286 0.3845657      1.210001  1.547022       5.005662  
1 1 1 17 26 17 o 26.67484 1.641132  8.085634       0.7398392 8.801160       0.8702722 6.220731       1.404982  5.376522       3.282264  
1 1 1 17 26 18 o 15.29551 2.954367  2.988271       0.9482473 3.648326       1.340632  2.327443       1.341417  3.718588       5.908735  
1 1 1 17 26 19 f 9.772237 4.367327  0.000000       0.000000  ?              ?         0.5589393      1.752016  ?              ?         
1 1 1 17 27 0  o 40.87228 1.433168  17.03538       1.148674  18.27658       1.539226  15.47531       1.725652  0.000000       0.000000  
1 1 1 17 27 1  o 124.5762 1.288694  155.0535       3.157403  157.6675       4.955493  153.2670       4.096597  1.725807       2.577388  
1 1 1 17 27 2  o 108.0753 1.164786  116.2794       2.479678  113.1337       3.218016  120.8773       3.890508  -3.552834      2.329572  
1 1 1 17 27 3  o 83.00471 1.005381  68.92035       1.652941  68.56129       2.188091  69.39762       2.522673  -0.4899826     2.010762  
1 1 1 17 27 4  o 175.8129 1.694451  309.9296       5.886737  307.9445       7.737391  312.6578       9.070936  -1.233185      3.388903  
1 1 1 17 27 5  o 50.96402 1.094091  26.69559       1.065425  28.59560       1.351388  23.57491       1.731916  4.949902       2.188182  
1 1 1 17 27 6  o 23.01906 2.199476  5.906885       0.8123052 6.384802       0.9432177 4.534729       1.598223  4.416870       4.398953  
1 1 1 17 27 7  o 40.20248 1.184457  16.18987       0.8859496 16.14646       1.071147  16.28389       1.576284  -0.1226196     2.368913  
1 1 1 17 27 8  o 14.74841 2.541722  2.309685       0.7111355 2.360002       0.8658925 2.205422       1.246440  0.5288458      5.083444  
1 1 1 17 27 9  o 30.95990 1.318690  9.745854       0.7543819 9.930978       0.9120923 9.345001       1.342148  1.006165       2.637379  
1 1 1 17 27 10 o 60.36759 1.097214  37.19244       1.161321  37.85098       1.356106  35.38122       2.249005  2.170731       2.194427  
1 1 1 17 27 11 o 21.46240 2.050996  4.111585       0.7038410 3.765013       0.7741207 5.764498       1.690584  -4.317778      4.101992  
1 1 1 17 27 12 o 40.89178 1.065409  16.77475       0.7915777 16.69194       0.9393374 16.97762       1.470277  -0.2328835     2.130817  
1 1 1 17 27 13 o 40.78764 1.212585  16.40614       0.8361537 16.05771       0.9504070 17.59958       1.758946  -1.640747      2.425170  
1 1 1 17 27 14 o 28.64990 1.434592  8.108120       0.8016208 7.325187       1.008635  9.450651       1.320789  -3.573524      2.869184  
1 1 1 17 27 15 o 26.87652 1.358914  6.893380       0.6580304 6.326895       0.7645639 8.511880       1.292338  -3.777805      2.717829  
1 1 1 17 27 16 o 9.687099 2.508829  0.9405634      0.6299014 1.174150       0.7342764 0.2896442      1.225741  1.285856       5.017657  
1 1 1 17 27 17 o 17.62706 2.242938  3.581563       0.6857197 3.705389       0.8123846 3.274726       1.278820  2.293043       4.485876  
1 1 1 17 27 18 o 15.99135 2.970681  3.291362       0.9683949 3.709456       1.379289  2.884909       1.359951  2.275373       5.941362  
1 1 1 17 27 19 o 15.28099 5.099981  0.000000       0.000000  ?              ?         3.729627       1.830014  ?              ?         
1 1 1 17 28 0  o 82.37121 1.331802  67.84478       2.188259  72.91650       3.185541  63.31315       3.011148  0.000000       0.000000  
1 1 1 17 28 1  o 62.15537 0.9272415 38.75385       1.150286  36.64153       1.647730  40.76190       1.606552  -3.316254      1.854483  
1 1 1 17 28 2  o 126.2748 1.301151  160.0812       3.256962  157.7439       4.926593  161.8957       4.340884  -1.679802      2.602303  
1 1 1 17 28 3  o 168.3768 1.513803  284.1869       5.093359  277.6775       7.029376  291.3820       7.390369  -4.040451      3.027606  
1 1 1 17 28 4  o 56.04042 0.9540080 31.51347       1.065519  30.69918       1.562300  32.22164       1.456953  -1.364628      1.908016  
1 1 1 17 28 5  o 58.69115 0.8892878 34.50179       1.043549  34.71477       1.460482  34.27963       1.491612  0.3725128      1.778576  
1 1 1 17 28 6  o 10.73066 2.559861  1.067361       0.6944829 1.578399       0.8908648 0.2756781      1.108818  3.162919       5.119722  
1 1 1 17 28 7  o 67.68407 0.9688720 46.52483       1.269159  48.48018       1.622886  43.44601       2.036420  3.757278       1.937744  
1 1 1 17 28 8  o 45.72850 1.097765  21.10900       0.9604882 21.41850       1.200195  20.55773       1.601799  0.9870644      2.195530  
1 1 1 17 28 9  o 18.52958 1.899722  3.316881       0.6629987 3.029954       0.7974287 3.959305       1.193209  -2.411470      3.799443  
1 1 1 17 28 10 o 17.24344 2.257891  3.533240       0.6640485 4.091649       0.7915313 2.206259       1.220181  5.775425       4.515782  
1 1 1 17 28 11 o 26.59348 1.405784  6.955066       0.6778967 6.693072       0.7974883 7.637420       1.287018  -1.630796      2.811568  
1 1 1 17 28 12 f 31.56815 1.291575  9.954283       0.7149191 9.829469       0.8287730 10.31726       1.413313  -0.6071644     2.583149  
1 1 1 17 28 13 o 30.33775 1.299104  8.767142       0.7277981 7.959835       0.8593029 10.81602       1.368939  -4.516541      2.598208  
1 1 1 17 28 14 o 41.79265 1.062213  17.20465       0.8056670 16.58469       0.9487011 18.80832       1.525826  -2.432240      2.124425  
1 1 1 17 28 15 o 21.34526 1.690036  4.747340       0.6654785 4.830956       0.8046094 4.566294       1.183957  0.8623848      3.380073  
1 1 1 17 28 16 f 7.969650 2.401101  0.2351844      0.6384885 0.3713678      0.7561809 -0.1030444     1.191705  -0.4748693     4.802203  
1 1 1 17 28 17 o 9.041361 2.720462  0.3043693      0.7210607 0.1015455      0.8133662 1.048910       1.558371  -3.648496      5.440923  
1 1 1 17 28 18 o 10.45523 2.944879  1.139021       0.9004365 0.8713173      1.607189  1.261491       1.087064  -0.1430178     5.889758  
1 1 1 17 29 0  o 56.53120 1.562659  31.42062       1.614084  30.35667       1.915241  34.02851       2.998523  0.000000       0.000000  
1 1 1 17 29 1  o 51.13982 0.9719771 26.10605       0.9899515 27.11148       1.480258  25.29251       1.331529  1.769894       1.943954  
1 1 1 17 29 2  o 129.1701 1.221289  167.2616       3.154513  165.8828       4.412448  168.7029       4.511512  -1.084045      2.442579  
1 1 1 17 29 3  o 146.8990 1.462728  217.1293       4.266420  212.4052       6.392764  220.9233       5.728931  -2.962433      2.925457  
1 1 1 17 29 4  o 117.0779 1.139012  137.2274       2.664254  133.7265       3.667978  141.1372       3.876296  -3.149094      2.278024  
1 1 1 17 29 5  o 35.75526 1.054607  12.77132       0.7527903 11.89460       1.030585  13.77418       1.102236  -2.622246      2.109213  
1 1 1 17 29 6  o 29.73045 1.406586  9.522327       0.7651424 10.87374       0.9547083 7.095603       1.279344  6.395550       2.813173  
1 1 1 17 29 7  o 39.59596 1.211435  15.95560       0.9177696 16.50609       1.153172  15.00446       1.515786  1.941635       2.422871  
1 1 1 17 29 8  o 30.83370 1.487666  8.835740       0.7787379 8.241146       0.8782945 11.02150       1.683957  -4.366669      2.975332  
1 1 1 17 29 9  o 33.80057 1.318070  11.58289       0.8704647 11.88695       1.125745  11.13077       1.372712  1.165325       2.636139  
1 1 1 17 29 10 o 41.32093 1.084819  17.42981       0.8382219 17.91493       1.026412  16.45846       1.452399  1.846405       2.169639  
1 1 1 17 29 11 f 25.96995 1.524675  7.072957       0.7197565 7.449076       0.8685982 6.248772       1.285785  2.439827       3.049351  
1 1 1 17 29 12 o 31.00546 1.457410  9.497723       0.7626610 9.276081       0.8660358 10.26342       1.609682  -1.322081      2.914819  
1 1 1 17 29 13 o 43.70659 1.162759  19.14972       1.002639  18.37065       1.303185  20.27986       1.569576  -2.095085      2.325518  
1 1 1 17 29 14 o 20.86666 1.989310  5.143497       0.6860789 5.996350       0.8332164 3.347701       1.209063  6.863344       3.978620  
1 1 1 17 29 15 o 11.67132 2.716975  1.457519       0.6863141 1.392147       0.8100208 1.623867       1.292135  -0.9733047     5.433951  
1 1 1 17 29 16 o 7.349077 2.334888  -0.5862953     0.6606188 -1.052928      0.7853750 0.5425866      1.221557  -4.175792      4.669776  
1 1 1 17 29 17 o 22.84238 2.300278  5.973571       1.031456  6.189022       1.359289  5.681114       1.583687  1.583731       4.600557  
1 1 1 17 29 18 o 13.43811 3.258292  2.351404       0.9530185 2.071487       1.097041  3.212469       1.924093  -1.725338      6.516584  
1 1 1 17 30 0  o 37.08127 1.510019  13.74968       1.101315  12.80890       1.441943  15.06684       1.706177  0.000000       0.000000  
1 1 1 17 30 1  o 36.76554 1.131971  13.51724       0.8309229 14.07325       1.219178  13.03494       1.135486  1.405861       2.263941  
1 1 1 17 30 2  o 74.93047 0.9859813 55.78404       1.457228  53.59637       1.892977  58.96625       2.283068  -3.557556      1.971963  
1 1 1 17 30 3  o 94.15672 0.9997653 88.84357       1.882482  89.05316       2.644259  88.62818       2.680576  0.2283707      1.999531  
1 1 1 17 30 4  o 55.17171 0.9037197 30.49082       0.9970234 29.89474       1.394731  31.11374       1.425790  -1.102253      1.807439  
1 1 1 17 30 5  o 70.50775 1.090118  49.91837       1.535654  52.32304       2.166050  47.48826       2.177480  3.429756       2.180236  
1 1 1 17 30 6  o 27.80083 1.268744  7.762435       0.7048100 7.843396       1.020846  7.688691       0.9742874 0.2720299      2.537488  
1 1 1 17 30 7  o 50.04566 1.056734  24.97729       1.018894  24.55517       1.274461  25.72499       1.696162  -1.118000      2.113468  
1 1 1 17 30 8  o 36.02436 1.212287  12.52847       0.7966470 11.83807       0.9375187 14.32203       1.511084  -3.355953      2.424574  
1 1 1 17 30 9  f 36.06190 1.192377  13.37029       0.8026521 13.89859       0.9846464 12.32392       1.385735  2.268848       2.384755  
1 1 1 17 30 10 o 14.69361 2.399538  2.391861       0.6761959 2.650447       0.8262879 1.867558       1.176577  2.851408       4.799076  
1 1 1 17 30 11 o 29.07223 1.525217  7.964681       0.7685878 7.406974       0.8752092 9.844434       1.606790  -3.940319      3.050435  
1 1 1 17 30 12 o 29.67344 1.401354  8.707846       0.7620356 8.368468       0.9031950 9.546238       1.419595  -1.778488      2.802707  
1 1 1 17 30 13 o 22.63100 1.709593  4.956532       0.7133850 4.493629       0.8415129 6.139007       1.344968  -3.311989      3.419185  
1 1 1 17 30 14 o 29.09392 1.380800  8.054882       0.7450415 7.186550       0.8809971 10.23520       1.396019  -4.966185      2.761601  
1 1 1 17 30 15 o 26.42684 1.437880  6.884625       0.7142435 6.251046       0.8571797 8.323614       1.291815  -3.520523      2.875760  
1 1 1 17 30 16 f 9.656556 2.837326  0.6539448      0.8965999 0.8459321      1.138779  0.3408422      1.454276  0.2766380      5.674652  
1 1 1 17 30 17 o 14.47457 2.880827  2.688689       0.8602542 2.747821       1.097006  2.594253       1.386324  0.9699373      5.761655  
1 1 1 17 30 18 o 10.22655 3.030641  1.093778       1.081678  1.662596       1.414292  0.2921206      1.678984  1.938960       6.061281  
1 1 1 17 31 0  o 57.14627 1.307441  32.90038       1.483157  33.64709       2.011888  32.01151       2.195062  0.000000       0.000000  
1 1 1 17 31 1  o 100.6516 1.110036  101.7610       2.219257  100.2298       3.325795  102.9901       2.979664  -1.403580      2.220073  
1 1 1 17 31 2  o 28.61285 1.328014  8.243140       0.7517563 8.362800       0.9968324 8.085339       1.144735  0.5023861      2.656028  
1 1 1 17 31 3  o 93.93318 1.079054  88.08090       1.994935  86.17142       2.586962  90.88239       3.133471  -2.451698      2.158108  
1 1 1 17 31 4  o 86.53448 1.062614  74.73649       1.792877  73.42499       2.283739  76.84322       2.894458  -1.909790      2.125229  
1 1 1 17 31 5  o 45.12937 0.9689270 20.40621       0.8729566 20.70179       1.277498  20.14729       1.195656  0.6059914      1.937854  
1 1 1 17 31 6  o 27.54846 1.270321  7.633581       0.6971237 7.574300       1.030743  7.683557       0.9464107 -0.2105522     2.540642  
1 1 1 17 31 7  o 29.85179 1.471012  8.738873       0.8608610 7.835472       1.093765  10.20951       1.395522  -3.918095      2.942024  
1 1 1 17 31 8  o 24.11921 1.733049  5.684228       0.8187556 4.438544       1.053719  7.582244       1.300681  -6.440142      3.466098  
1 1 1 17 31 9  o 20.95729 1.969813  4.796201       0.6903253 5.087617       0.8114985 4.033077       1.313193  2.983580       3.939627  
1 1 1 17 31 10 o 8.052155 2.460394  -0.1277748E-01 0.6889226 0.5137380E-01  0.8387301 -0.1458193     1.207852  -1.057132      4.920788  
1 1 1 17 31 11 o 17.41323 2.163648  3.057950       0.6859009 2.839177       0.8216027 3.561072       1.245952  -1.507309      4.327295  
1 1 1 17 31 12 o 34.34832 1.384358  11.94389       0.9478490 11.53331       1.280692  12.44118       1.409463  -1.270077      2.768716  
1 1 1 17 31 13 o 19.54449 1.888783  3.829694       0.7002499 3.565266       0.8515109 4.382106       1.230743  -1.827293      3.777566  
1 1 1 17 31 14 o 28.36431 1.467858  8.037453       0.7346778 7.755577       0.8511505 8.861158       1.455000  -1.504210      2.935717  
1 1 1 17 31 15 o 32.32275 1.708332  11.00827       1.089331  11.10161       1.684657  10.94119       1.428045  -0.4256821E-01 3.416663  
1 1 1 17 31 16 o 14.71090 2.893759  2.812562       0.8812405 3.087803       1.071207  2.236265       1.550028  3.027575       5.787519  
1 1 1 17 31 17 o 8.884465 2.758577  0.1937618      0.9730335 0.9038626      1.083240  -2.773027      2.214155  1.486370       5.517153  
1 1 1 17 32 0  o 77.36618 1.294486  60.10140       1.999928  61.89070       2.834090  58.32658       2.822596  0.000000       0.000000  
1 1 1 17 32 1  o 43.65032 1.077835  19.09999       0.9405614 18.52551       1.307815  19.71547       1.353680  -1.358139      2.155671  
1 1 1 17 32 2  o 59.17828 0.8928647 35.09862       1.056703  34.57448       1.487794  35.63218       1.501102  -0.8924408     1.785729  
1 1 1 17 32 3  o 39.81376 0.9936587 15.88931       0.7877951 15.80769       1.064382  15.98820       1.171532  -0.2155266     1.987317  
1 1 1 17 32 4  o 68.18327 0.9416993 46.48626       1.276191  47.72097       1.925639  45.51920       1.704196  1.592461       1.883399  
1 1 1 17 32 5  o 35.92747 1.093107  12.84140       0.7804287 11.97208       1.034987  13.98713       1.188192  -2.784321      2.186213  
1 1 1 17 32 6  o 40.25453 0.9835942 16.25459       0.7914587 16.03562       1.098536  16.49094       1.141270  -0.5600357     1.967188  
1 1 1 17 32 7  o 41.28933 1.191586  17.29306       0.9712044 18.05142       1.291456  16.30591       1.473449  2.151531       2.383173  
1 1 1 17 32 8  o 28.14376 1.378417  7.354646       0.7201658 6.396202       0.8499289 9.794452       1.356053  -5.901718      2.756833  
1 1 1 17 32 9  o 46.71643 1.047180  22.19664       0.9246153 22.69609       1.142282  21.24756       1.574631  1.643917       2.094361  
1 1 1 17 32 10 f 36.61433 1.422191  13.38315       0.9111789 13.16707       1.054400  14.02042       1.810759  -0.9151688     2.844382  
1 1 1 17 32 11 f 45.75214 1.095605  20.66531       0.9507549 19.71448       1.159973  22.61160       1.659590  -3.010040      2.191211  
1 1 1 17 32 12 o 55.42620 1.215345  29.74667       1.128228  28.60302       1.272757  33.94172       2.437636  -4.294628      2.430690  
1 1 1 17 32 13 o 21.98785 1.931563  4.816692       0.8307088 3.974669       1.051608  6.214137       1.354750  -4.866304      3.863127  
1 1 1 17 32 14 o 12.29639 2.743157  1.597381       0.7227409 1.261809       0.8822817 2.281919       1.260125  -3.148208      5.486314  
1 1 1 17 32 15 o 11.23906 2.901472  0.9502368      0.7874169 0.3841540      0.9130659 2.592936       1.555397  -6.059559      5.802943  
1 1 1 17 32 16 o 16.08407 3.244218  3.388573       0.9754097 3.380570       1.084936  3.422317       2.227731  1.860568       6.488436  
1 1 1 17 32 17 o 13.96214 3.405957  2.687590       1.066741  2.231415       1.256593  3.864453       2.018326  -2.523468      6.811914  
1 1 1 17 33 0  o 45.20541 1.425428  20.78439       1.270242  22.11848       1.717123  19.17197       1.887763  0.000000       0.000000  
1 1 1 17 33 1  o 39.16886 1.163473  15.47274       0.8860166 15.10554       1.422810  15.70534       1.132373  -0.8010864     2.326945  
1 1 1 17 33 2  o 45.98112 1.089293  21.09179       0.9675598 21.70524       1.600153  20.73823       1.214797  1.006790       2.178585  
1 1 1 17 33 3  o 103.4899 1.054879  107.2714       2.180133  103.7345       2.986044  111.3090       3.190443  -3.634789      2.109758  
1 1 1 17 33 4  f 15.21436 2.101446  2.442578       0.6210759 1.613258       0.8727540 3.293453       0.8840224 -5.672148      4.202892  
1 1 1 17 33 5  o 69.91127 0.8842515 49.02026       1.236312  48.92679       1.738374  49.11591       1.758620  -0.1328430     1.768503  
1 1 1 17 33 6  o 22.82909 1.410635  5.264343       0.6431475 5.639075       0.9169016 4.901397       0.9023682 1.612009       2.821271  
1 1 1 17 33 7  o 56.04942 0.9923063 31.57071       1.112061  32.00956       1.595215  31.15581       1.551095  0.7533035      1.984613  
1 1 1 17 33 8  o 52.53607 1.108164  27.82895       1.058757  27.86429       1.259189  27.74365       1.955925  0.2750893      2.216327  
1 1 1 17 33 9  o 14.45591 3.189490  1.763051       0.7569692 1.570095       0.8109254 3.069993       2.110473  -4.681418      6.378980  
1 1 1 17 33 10 o 9.761354 2.573710  0.6675903      0.7324352 1.368757       0.9888453 -0.1846707     1.090195  3.470647       5.147420  
1 1 1 17 33 11 o 42.68968 1.563702  18.61862       1.334612  18.70117       1.865514  18.53207       1.910129  0.2197762      3.127404  
1 1 1 17 33 12 o 25.91129 1.896847  7.544560       0.8135086 8.119441       0.9439401 5.884835       1.603888  4.746460       3.793693  
1 1 1 17 33 13 o 37.84589 1.449250  15.24613       0.9124857 15.68242       1.044917  13.84478       1.872717  3.007652       2.898499  
1 1 1 17 33 14 o 36.39047 2.048244  14.47349       1.040134  14.56700       1.129300  13.95049       2.670711  2.755871       4.096489  
1 1 1 17 33 15 o 11.00121 3.325069  0.6089436      0.8564737 0.3854206      0.9080889 2.409207       2.577124  -5.680084      6.650139  
1 1 1 17 33 16 o 10.90600 2.721388  1.079231       0.9355502 2.608666       1.234183  -0.9867289     1.434415  6.677907       5.442777  
1 1 1 17 34 0  o 107.2908 1.545278  115.7514       3.312274  116.3261       4.649355  115.1590       4.719970  0.000000       0.000000  
1 1 1 17 34 1  o 54.72012 0.9813776 29.99193       1.067401  30.52514       1.607336  29.57127       1.427653  0.8492699      1.962755  
1 1 1 17 34 2  o 88.41351 0.9740213 78.42863       1.721931  77.91125       2.405960  78.97194       2.465487  -0.5923462     1.948043  
1 1 1 17 34 3  o 31.51345 1.142063  9.963178       0.7191267 9.402775       0.9961673 10.57304       1.039194  -1.850281      2.284127  
1 1 1 17 34 4  o 43.41222 1.016570  18.93111       0.8729895 18.92141       1.336641  18.93833       1.152838  -0.4778671E-01 2.033140  
1 1 1 17 34 5  o 41.83580 1.042952  17.50948       0.8634194 18.21414       1.332045  16.99890       1.133873  1.414536       2.085904  
1 1 1 17 34 6  o 52.34822 1.136981  27.46545       1.172875  26.85236       1.525315  28.35234       1.834561  -1.364937      2.273961  
1 1 1 17 34 7  o 16.94263 2.177585  3.001221       0.7202830 3.320755       1.029131  2.694398       1.008452  2.119325       4.355170  
1 1 1 17 34 8  o 41.19621 1.248066  17.12411       1.025397  16.95500       1.395454  17.32259       1.511783  -0.4137421     2.496132  
1 1 1 17 34 9  o 43.19888 1.167341  18.70395       0.9543515 18.38958       1.169067  19.33195       1.652336  -0.9388733     2.334682  
1 1 1 17 34 10 o 14.42071 2.584146  1.888894       0.7414341 1.077989       0.8931956 3.685839       1.329623  -7.951333      5.168291  
1 1 1 17 34 11 o 21.49436 2.002464  4.678658       0.8346427 4.298800       1.042236  5.357821       1.393613  -2.205679      4.004929  
1 1 1 17 34 12 o 59.03656 1.213542  35.28198       1.249092  35.15329       1.447273  35.65773       2.472998  0.3099060E-01  2.427084  
1 1 1 17 34 13 f 19.48565 2.456619  4.357958       0.7966439 4.468482       0.9220033 4.032394       1.582431  2.406693       4.913238  
1 1 1 17 34 14 o 9.341134 2.784711  0.3771030      0.7825093 0.1424616      0.9029138 1.085101       1.568412  -3.379854      5.569422  
1 1 1 17 34 15 o 10.89785 3.026226  1.169852       0.8951522 0.9219494      1.066910  1.759301       1.645167  -2.397897      6.052452  
1 1 1 17 34 16 f 12.41514 3.093335  1.995824       0.9660358 1.401320       1.283319  2.773206       1.467490  -3.247945      6.186670  
1 1 1 17 35 0  o 96.59216 1.871428  93.59348       3.333339  95.72253       6.027709  92.65556       4.000746  0.000000       0.000000  
1 1 1 17 35 1  o 50.10224 1.048855  25.23516       1.050156  25.69665       1.464625  24.74688       1.506553  0.9544258      2.097711  
1 1 1 17 35 2  o 55.46535 0.9803682 30.73660       1.075526  29.83975       1.410479  31.98249       1.662436  -1.891041      1.960736  
1 1 1 17 35 3  o 92.79036 1.075084  86.23336       1.971821  89.04438       3.050762  84.21651       2.584125  2.510338       2.150168  
1 1 1 17 35 4  o 38.91523 1.008361  15.22350       0.7847793 15.03674       1.107818  15.41163       1.111884  -0.4809227     2.016722  
1 1 1 17 35 5  o 31.05010 1.151174  9.691718       0.7134576 9.361625       0.9728057 10.07592       1.049518  -1.132063      2.302348  
1 1 1 17 35 6  o 32.11676 1.400926  11.03409       0.8240288 12.19996       1.016655  8.801341       1.406917  5.401344       2.801852  
1 1 1 17 35 7  o 34.17667 1.180840  11.86483       0.7962186 12.34343       1.056159  11.23471       1.211881  1.662708       2.361680  
1 1 1 17 35 8  o 23.61098 1.825098  5.636100       0.7857329 5.527639       0.9324326 5.901764       1.459303  -0.5445824     3.650196  
1 1 1 17 35 9  o 31.99214 1.647329  11.05172       0.8715895 11.58754       1.000958  9.371449       1.772547  3.799946       3.294657  
1 1 1 17 35 10 o 32.95729 1.670268  11.71246       0.8982894 12.15515       1.023740  10.23097       1.872795  3.414064       3.340536  
1 1 1 17 35 11 o 16.61184 2.473073  3.221527       0.7793834 3.783041       0.9789705 2.249621       1.287956  4.968186       4.946147  
1 1 1 17 35 12 o 26.61189 1.667003  7.355987       0.8171718 7.290103       0.9807072 7.505622       1.477973  0.5640984E-01  3.334007  
1 1 1 17 35 13 o 24.71821 1.815454  6.682901       0.8284179 7.074947       1.016811  5.908937       1.428672  2.838167       3.630908  
1 1 1 17 35 14 o 20.66228 2.428356  5.283624       0.8191537 5.746569       0.9606507 4.050121       1.568090  5.493029       4.856713  
1 1 1 17 35 15 o 7.162005 2.373490  -0.7419655     0.8575385 -0.8082399     1.234580  -0.6801813     1.192024  -0.1701355E-01 4.746980  
1 1 1 17 35 16 o 11.73697 3.085730  1.897471       0.9748960 1.639446       1.388270  2.148508       1.369347  -1.180751      6.171459  
1 1 1 17 36 0  o 5.927382 2.833085  -0.4244136     0.9221331 -0.2902505     1.171839  -0.6425961     1.494382  0.000000       0.000000  
1 1 1 17 36 1  o 90.89868 1.264872  83.17319       2.136803  83.67988       3.807445  82.94022       2.581713  0.1282578      2.529743  
1 1 1 17 36 2  o 64.61008 0.9896792 41.85338       1.269203  42.81261       1.926110  41.11723       1.687342  1.267967       1.979358  
1 1 1 17 36 3  o 9.022373 2.407337  0.5444288      0.6191078 0.7528748E-01  0.8697488 1.026301       0.8814703 -2.617388      4.814674  
1 1 1 17 36 4  o 30.67746 1.170383  9.494237       0.7167329 9.565390       0.9859654 9.414502       1.043726  0.2605152      2.340766  
1 1 1 17 36 5  o 33.64967 1.107038  11.40412       0.7429032 11.38447       1.012770  11.42702       1.093067  -0.4450607E-01 2.214077  
1 1 1 17 36 6  o 13.17732 2.066567  1.762802       0.6685982 3.613466       0.9326768 -0.1936030     0.9589521 11.29619       4.133135  
1 1 1 17 36 7  o 7.659453 2.217751  -0.3850681     0.6424758 0.9137909      0.9248981 -1.596235      0.8931305 4.734624       4.435502  
1 1 1 17 36 8  o 31.75023 1.139648  10.18494       0.7228623 10.22520       1.048374  10.14846       0.9980449 0.1044464      2.279296  
1 1 1 17 36 9  o 28.62707 1.613091  8.737501       0.8809131 9.944448       1.144006  6.979429       1.380711  5.306259       3.226182  
1 1 1 17 36 10 o 30.47759 1.493206  9.369815       0.8465848 9.133486       1.019015  9.896349       1.521020  -0.9722710     2.986411  
1 1 1 17 36 11 o 23.12006 1.841560  5.468806       0.7993954 5.280963       0.9690639 5.868862       1.414217  -0.9163017     3.683120  
1 1 1 17 36 12 o 42.26698 1.242013  18.70717       0.9742673 19.31648       1.188597  17.45955       1.700814  2.608208       2.484026  
1 1 1 17 36 13 f 14.44733 2.632104  2.777474       0.7867290 3.258057       0.9085658 1.337368       1.572786  5.929317       5.264209  
1 1 1 17 36 14 o 13.24878 3.102932  2.203003       0.9498615 1.841862       1.242661  2.710559       1.473181  -2.129972      6.205863  
1 1 1 17 36 15 o 10.34739 2.892686  1.176789       0.8862848 1.011347       1.216845  1.363718       1.293452  -0.8402872     5.785373  
1 1 1 17 37 0  o 56.84901 1.644871  31.77070       1.673865  30.59062       1.957937  34.97553       3.226588  0.000000       0.000000  
1 1 1 17 37 1  o 8.805639 2.468253  0.3658091      0.6808124 -0.2375728     1.004439  0.8785978      0.9259693 -2.324897      4.936506  
1 1 1 17 37 2  o 48.20940 0.9392338 23.24286       0.9028142 21.84711       1.219658  24.93454       1.342742  -3.177433      1.878468  
1 1 1 17 37 3  o 33.05475 1.334793  11.08671       0.8553563 10.85579       1.384115  11.22939       1.087972  -0.6475639     2.669585  
1 1 1 17 37 4  f 13.72876 2.336164  2.043576       0.6456484 2.604299       0.9020121 1.454450       0.9245757 3.908040       4.672328  
1 1 1 17 37 5  o 11.61881 2.443271  1.424909       0.6119837 1.607700       0.8644332 1.241235       0.8665220 1.272707       4.886541  
1 1 1 17 37 6  o 7.493017 2.289312  -0.1570120     0.6453184 0.3053488      0.9311145 -0.5843754     0.8951818 1.869810       4.578623  
1 1 1 17 37 7  o 37.95815 1.086449  14.54328       0.8246955 14.39324       1.155581  14.69903       1.177314  -0.3960533     2.172899  
1 1 1 17 37 8  o 11.43634 2.328377  1.350436       0.6273094 0.4215545      0.9030284 2.216740       0.8720798 -5.735871      4.656753  
1 1 1 17 37 9  o 25.49320 1.643045  6.221606       0.7910735 5.392014       0.9490556 8.110075       1.431904  -5.043005      3.286089  
1 1 1 17 37 10 o 13.41785 2.708211  1.746759       0.7272437 1.261246       0.8710361 2.864065       1.321362  -4.989871      5.416422  
1 1 1 17 37 11 o 13.56557 2.798949  1.993454       0.7615609 1.680290       0.9162102 2.693458       1.369807  -2.837128      5.597898  
1 1 1 17 37 12 o 23.26806 2.272662  5.244059       0.8784719 4.726481       0.9798429 7.364360       1.983204  -4.131161      4.545325  
1 1 1 17 37 13 o 27.77749 1.739340  8.188266       0.8928164 8.029539       1.073047  8.545367       1.609497  -0.1372452     3.478680  
1 1 1 17 37 14 o 15.72623 2.765492  3.167375       0.9060535 4.245280       1.267597  2.041375       1.295567  6.292126       5.530984  
1 1 1 17 37 15 o 9.396572 2.834532  0.7248116      0.9392194 0.4009815      1.272788  1.111961       1.391673  -1.407754      5.669065  
1 1 1 17 38 0  o 8.822899 3.446910  0.8380207      0.9123213 0.1409398      1.162225  1.957157       1.472618  0.000000       0.000000  
1 1 1 17 38 1  o 55.11199 1.031055  30.47998       1.134672  32.38499       1.661623  28.81547       1.553196  3.213837       2.062111  
1 1 1 17 38 2  f 56.10149 0.9291905 31.63170       1.041951  31.24068       1.445006  32.05520       1.503837  -0.7136383     1.858381  
1 1 1 17 38 3  o 42.62119 1.002241  18.26183       0.8537019 17.37031       1.184352  19.22601       1.231672  -2.165874      2.004483  
1 1 1 17 38 4  o 52.73769 1.019108  28.11827       1.058252  28.59790       1.387111  27.45034       1.636907  1.152760       2.038216  
1 1 1 17 38 5  o 26.73149 1.495722  7.261178       0.7871689 7.353825       1.229132  7.196758       1.024934  0.2067566      2.991444  
1 1 1 17 38 6  o 43.48183 1.211805  19.46804       1.006057  20.36909       1.265977  17.92371       1.657379  2.943863       2.423609  
1 1 1 17 38 7  o 8.407537 2.458131  0.2854425      0.6725412 0.3122961      0.9622141 0.2597931      0.9403948 0.1944408      4.916261  
1 1 1 17 38 8  o 26.63235 1.384056  7.208500       0.7334955 8.270024       1.067739  6.259881       1.009360  3.744970       2.768112  
1 1 1 17 38 9  o 11.95621 2.718488  1.053177       0.7494331 0.3072880      0.8957827 2.793082       1.368133  -7.448154      5.436977  
1 1 1 17 38 10 o 29.07092 1.534657  8.559443       0.8354723 8.166831       1.007676  9.422870       1.494348  -1.726788      3.069314  
1 1 1 17 38 11 o 19.22863 2.413617  4.573697       0.8123963 5.364818       1.000439  3.042032       1.392039  6.831062       4.827234  
1 1 1 17 38 12 o 29.41741 1.778246  8.989356       0.9508298 8.619121       1.122666  9.928792       1.788318  -1.316252      3.556493  
1 1 1 17 38 13 o 32.44865 1.794214  11.54818       1.140645  12.18938       1.503347  10.67824       1.751073  2.741730       3.588428  
1 1 1 17 38 14 o 12.43875 2.707542  2.012788       0.8939440 3.232809       1.170018  0.3017474      1.385604  7.118706       5.415084  
1 1 1 17 39 0  o 31.20326 1.769756  9.768720       1.065566  8.889738       1.346485  11.24162       1.743004  0.000000       0.000000  
1 1 1 17 39 1  o 48.16801 1.018058  23.43578       0.9738334 22.87230       1.456809  23.89097       1.309375  -1.096489      2.036116  
1 1 1 17 39 2  o 62.52720 1.007384  39.11372       1.243677  37.68000       1.620837  41.16631       1.939361  -2.700268      2.014767  
1 1 1 17 39 3  o 24.75804 1.694016  6.307041       0.8159291 6.432247       1.046293  6.112735       1.303416  0.7687931      3.388033  
1 1 1 17 39 4  o 20.22628 1.904461  4.327131       0.7236965 3.057616       1.013438  5.648144       1.033788  -6.621218      3.808923  
1 1 1 17 39 5  o 34.25101 1.422264  11.65754       0.9403852 10.95963       1.169724  12.93288       1.581241  -2.712650      2.844527  
1 1 1 17 39 6  o 30.17859 1.291176  9.295255       0.7766776 8.670978       1.117576  9.878425       1.080156  -2.018219      2.582352  
1 1 1 17 39 7  o 27.27344 1.590844  7.630970       0.8176488 7.629287       1.413705  7.631816       1.002300  -0.2376404     3.181688  
1 1 1 17 39 8  o 15.16798 2.360102  2.506515       0.6904156 2.649757       1.063795  2.402268       0.9075125 0.6417732      4.720204  
1 1 1 17 39 9  o 10.74483 2.834819  0.5772251      0.8913772 -0.4948869     1.134588  2.306043       1.440763  -6.479025      5.669637  
1 1 1 17 39 10 o 15.47125 2.898887  2.853843       0.9058821 2.652632       1.203877  3.116478       1.375413  -1.109201      5.797775  
1 1 1 17 39 11 o 20.38021 2.704293  5.125689       1.027861  6.027510       1.329201  3.784281       1.621105  6.331987       5.408586  
1 1 1 17 39 12 o 11.35384 3.220243  1.250996       1.188222  0.1083610      1.751705  2.224833       1.617150  -3.425029      6.440485  
1 1 1 17 39 13 o 15.71528 4.505846  0.000000       0.000000  ?              ?         3.293712       1.489925  ?              ?         
1 1 1 17 39 14 o 15.65204 3.636328  3.479736       1.223654  5.449151       2.276417  2.679448       1.451131  4.209908       7.272657  
1 1 1 17 40 0  o 13.92271 3.884235  3.082771       1.134618  3.520195       1.285689  1.542669       2.412454  0.000000       0.000000  
1 1 1 17 40 1  f 12.80809 2.509224  1.701946       0.7332860 2.792470       1.045101  0.6444991      1.029129  6.531532       5.018447  
1 1 1 17 40 2  f 36.28445 1.112530  13.29788       0.8072312 13.52308       1.139547  13.07104       1.143659  0.6241989      2.225061  
1 1 1 17 40 3  o 11.42609 2.429418  1.213520       0.6872677 0.1650028      0.9555294 2.337308       0.9892331 -6.474507      4.858835  
1 1 1 17 40 4  o 33.68161 1.455346  11.47026       0.9607080 11.06794       1.231664  12.09535       1.535244  -1.375568      2.910692  
1 1 1 17 40 5  o 21.56929 1.700496  4.744975       0.7297390 4.276956       0.9748153 5.341578       1.100611  -2.388021      3.400993  
1 1 1 17 40 6  o 29.46446 1.413676  8.891470       0.8306949 8.337329       1.192706  9.413506       1.157639  -1.844994      2.827352  
1 1 1 17 40 7  o 24.05404 1.469284  5.872315       0.7028778 6.370112       1.064859  5.487983       0.9356645 1.761280       2.938569  
1 1 1 17 40 8  o 17.02071 2.366548  3.326412       0.7599251 2.710673       1.220800  3.715933       0.9709834 -3.528922      4.733097  
1 1 1 17 40 9  o 9.968513 2.528240  1.028003       0.6423165 0.9261963      0.9363061 1.118507       0.8827991 -0.4899235     5.056480  
1 1 1 17 40 10 o 18.11119 2.807205  3.907623       0.9364615 3.964149       1.121604  3.777527       1.701558  1.921621       5.614411  
1 1 1 17 40 11 o 11.09590 3.162608  1.251190       1.065556  1.326597       1.347688  1.125438       1.740360  -0.9457779E-01 6.325217  
1 1 1 17 40 12 o 10.89036 3.032890  1.324791       0.9676089 1.393395       1.262978  1.227299       1.505579  0.1239433      6.065779  
1 1 1 17 40 13 o 8.836979 2.738129  0.2967586      0.9576375 -0.4979384     1.356879  1.085451       1.351743  -2.354955      5.476258  
1 1 1 17 41 0  o 20.59462 3.042770  5.048950       1.039191  5.386672       1.303120  4.458994       1.722324  0.000000       0.000000  
1 1 1 17 41 1  o 33.17862 1.280263  11.24419       0.8452336 10.42860       1.227557  11.97945       1.165535  -2.365507      2.560527  
1 1 1 17 41 2  o 26.03259 1.463715  6.931700       0.7595294 7.690465       1.088214  6.210965       1.060592  2.826447       2.927430  
1 1 1 17 41 3  o 18.94432 2.002257  3.648636       0.7493777 4.455383       1.168878  3.085645       0.9764517 3.472860       4.004513  
1 1 1 17 41 4  f 45.83076 1.107071  21.18880       1.000343  21.74918       1.559673  20.79718       1.303848  0.9355583      2.214141  
1 1 1 17 41 5  o 10.50731 2.616211  1.020703       0.7592588 -0.1178395     1.238586  1.706090       0.9609906 -3.872340      5.232423  
1 1 1 17 41 6  o 33.16862 1.310703  11.23991       0.8618907 10.98863       1.299166  11.43744       1.151877  -0.7523956     2.621405  
1 1 1 17 41 7  o 15.60247 2.941936  2.863273       0.9226056 2.809422       1.188136  2.945059       1.464223  -0.7724190E-01 5.883871  
1 1 1 17 41 8  o 11.72887 2.635130  1.496004       0.7211011 2.221961       1.072693  0.8974662      0.9740156 4.033432       5.270260  
1 1 1 17 41 9  o 8.514154 2.746115  -0.9163355E-01 0.8704270 0.2587179      0.9439883 -2.080392      2.249084  -0.9068718     5.492229  
1 1 1 17 41 10 o 11.67091 3.187628  1.389208       0.9039295 1.285573       1.008475  1.812743       2.038717  -1.958244      6.375257  
1 1 1 17 41 11 o 13.05021 3.039013  2.396391       1.069548  3.139333       1.212088  -0.2168082     2.273227  5.758651       6.078026  
1 1 1 17 41 12 o 18.29920 3.177583  5.038576       1.224931  5.927738       1.486650  3.158628       2.161679  8.346707       6.355166  
1 1 1 17 42 0  o 40.61427 1.731344  16.94858       1.393328  16.56729       2.015030  17.29791       1.928730  0.000000       0.000000  
1 1 1 17 42 1  o 31.60719 1.835988  10.33917       1.080197  10.32195       1.309339  10.37586       1.911374  0.3244476      3.671977  
1 1 1 17 42 2  o 16.85287 2.261318  3.077033       0.7414805 3.405544       1.021022  2.710448       1.078567  2.404927       4.522636  
1 1 1 17 42 3  o 37.47540 1.156605  14.25422       0.8664498 14.87260       1.233602  13.65211       1.217251  1.620853       2.313211  
1 1 1 17 42 4  o 23.05593 1.732604  5.655121       0.7725744 4.490596       1.163575  6.573270       1.033181  -4.600340      3.465209  
1 1 1 17 42 5  o 32.32367 1.248462  10.67896       0.8045614 11.78553       1.149849  9.617504       1.126164  3.339109       2.496923  
1 1 1 17 42 6  o 28.87728 1.361014  8.593801       0.7843224 8.711439       1.150932  8.491804       1.071700  0.3155880      2.722028  
1 1 1 17 42 7  o 31.36984 1.648015  10.77012       0.9670240 11.82364       1.215251  8.951433       1.596703  4.989544       3.296030  
1 1 1 17 42 8  o 15.04713 2.415774  2.616670       0.7156391 3.192717       1.024362  2.067473       1.000203  3.566928       4.831547  
1 1 1 17 42 9  o 19.10501 3.308714  4.292014       1.008826  4.100598       1.100547  5.298910       2.524135  0.5445480      6.617429  
1 1 1 17 42 10 o 14.58938 3.293999  3.129024       1.136506  3.560767       1.253222  1.129662       2.696877  5.033807       6.587998  
1 1 1 17 42 11 o 9.014948 2.771374  0.1458000      0.9677171 1.080067       1.404584  -0.6984075     1.335170  2.852761       5.542747  
1 1 1 17 42 12 o 8.532964 2.703767  -0.1939700     0.9758025 -1.188509      1.281728  1.177215       1.504988  -3.583065      5.407534  
1 1 1 17 43 0  o 9.599663 4.173925  1.117175       1.429610  0.9433013      2.649009  1.188626       1.698132  0.000000       0.000000  
1 1 1 17 43 1  o 15.13091 2.417689  2.613887       0.7647595 1.259356       1.125964  3.773885       1.041979  -7.794259      4.835377  
1 1 1 17 43 2  o 40.72223 1.137702  16.84936       0.9265614 16.80950       1.315022  16.88866       1.305739  -0.1018257     2.275403  
1 1 1 17 43 3  o 25.53920 1.587392  6.746961       0.8081318 6.517989       1.092227  7.023938       1.201283  -0.8989773     3.174785  
1 1 1 17 43 4  o 19.78681 1.888880  4.154052       0.7447364 4.578129       1.059343  3.739646       1.047195  2.105234       3.777759  
1 1 1 17 43 5  o 7.816148 2.392062  0.4023200E-01  0.6924118 0.2765900      1.002972  -0.1749893     0.9570758 1.024348       4.784124  
1 1 1 17 43 6  o 9.576337 2.709677  0.6777248      0.8228993 -0.2188200     1.391735  1.159647       1.020373  -1.872723      5.419354  
1 1 1 17 43 7  o 7.401516 2.351988  -0.3250194     0.7289926 -0.7178391     0.9779913 0.1661294      1.093566  -1.813407      4.703977  
1 1 1 17 43 8  o 14.16888 2.981129  2.639059       0.9229028 2.995956       1.100127  1.791190       1.695649  3.559877       5.962258  
1 1 1 17 43 9  o 22.21801 2.681495  6.426031       1.071611  8.565106       1.419418  3.590829       1.634140  11.79425       5.362991  
1 1 1 17 43 10 o 10.00698 2.969614  0.8176224      1.002085  0.7956704      1.484547  0.8359966      1.358192  0.1311750      5.939228  
1 1 1 17 43 11 o 9.996773 3.057046  0.9309455      1.127510  1.293535       1.362976  0.1449074      2.006794  0.8288870      6.114093  
1 1 1 17 44 0  o 13.56600 3.804965  2.836643       1.044471  3.332807       1.386007  2.184581       1.588903  0.000000       0.000000  
1 1 1 17 44 1  o 17.34312 2.431195  3.326062       0.8050492 3.930020       1.258394  2.907625       1.047438  2.601938       4.862389  
1 1 1 17 44 2  f 34.78261 1.547592  12.73098       1.009960  12.23699       1.739036  12.98238       1.240622  -1.544395      3.095184  
1 1 1 17 44 3  f 36.22928 1.265303  13.54188       0.9153864 12.90851       1.308091  14.14968       1.281425  -1.735435      2.530606  
1 1 1 17 44 4  o 33.70058 1.330946  11.73475       0.8965496 11.90171       1.293607  11.58043       1.243691  0.4319305      2.661892  
1 1 1 17 44 5  o 22.32808 2.051089  5.541243       0.8683553 5.986041       1.101961  4.812557       1.410439  3.051014       4.102178  
1 1 1 17 44 6  o 31.79147 1.443202  10.72815       0.9017875 12.32922       1.240229  8.932121       1.313569  5.424049       2.886404  
1 1 1 17 44 7  o 13.78298 2.975280  2.520035       0.9212809 2.906976       1.098552  1.602812       1.691360  3.676576       5.950561  
1 1 1 17 44 8  o 21.68298 2.534184  5.513429       1.027043  5.462276       1.290282  5.601882       1.696700  0.9611568      5.068368  
1 1 1 17 44 9  o 32.28397 1.970137  11.76279       1.225820  14.78845       1.715032  8.602683       1.752724  9.650272       3.940274  
1 1 1 17 44 10 o 34.28507 3.235372  14.02853       2.218499  14.02853       2.218499  ?              ?         ?              ?         
1 1 1 17 45 0  o 9.880657 3.694991  1.601319       1.084778  2.292378       1.379940  0.4835072      1.755041  0.000000       0.000000  
1 1 1 17 45 1  o 10.22312 2.756251  0.9829520      0.7891623 1.236649       1.111863  0.7254036      1.120272  1.240316       5.512501  
1 1 1 17 45 2  o 27.79790 1.498916  8.041657       0.8294396 9.135107       1.200643  7.043400       1.147191  3.708708       2.997833  
1 1 1 17 45 3  o 36.77756 1.369892  13.99606       1.005873  13.17466       1.375065  14.94152       1.475252  -2.303020      2.739783  
1 1 1 17 45 4  o 15.54749 2.769013  2.996715       0.8733652 2.313215       1.326449  3.519790       1.160390  -3.790705      5.538026  
1 1 1 17 45 5  o 27.81626 1.774345  8.344162       0.9747822 7.842379       1.467959  8.739940       1.303712  -1.844862      3.548691  
1 1 1 17 45 6  o 24.92325 2.343894  7.067503       1.046157  7.046926       1.240480  7.118185       1.946822  1.325811       4.687788  
1 1 1 17 45 7  o 9.433355 2.902610  0.4391822      1.019075  0.4812529      1.365465  0.3862865      1.531094  -0.1902800     5.805220  
1 1 1 17 45 8  o 11.29986 3.188007  1.235709       1.096878  0.4755895      1.425889  2.337533       1.716725  -3.726486      6.376013  
1 1 1 17 45 9  o 13.79468 3.104677  2.759456       1.096510  4.080005       1.491232  1.205038       1.617900  6.690718       6.209355  
1 1 1 17 46 0  o 11.16981 3.991629  2.136060       1.076006  1.991541       1.375725  2.363763       1.726844  0.000000       0.000000  
1 1 1 17 46 1  o 13.28803 2.915402  2.154006       0.8598603 2.410426       1.218815  1.899920       1.213256  1.470209       5.830805  
1 1 1 17 46 2  o 37.87127 1.368195  15.00544       1.013396  15.27908       1.312230  14.60109       1.595161  1.197617       2.736389  
1 1 1 17 46 3  o 14.77693 2.520415  2.794418       0.8910133 4.353776       1.160789  0.5578822      1.390171  10.21920       5.040829  
1 1 1 17 46 4  o 11.82024 3.110539  1.699535       0.9625564 1.910052       1.119268  1.101680       1.886200  1.212016       6.221079  
1 1 1 17 46 5  o 17.08974 2.867698  4.098194       1.054130  5.304080       1.311566  1.897970       1.771620  9.358356       5.735395  
1 1 1 17 46 6  o 12.13764 3.174047  1.754978       1.106030  2.837480       1.530697  0.5723498      1.599923  4.520804       6.348093  
1 1 1 17 46 7  o 11.82288 3.240597  1.697944       1.126216  2.345946       1.581838  1.031817       1.603809  2.555490       6.481193  
1 1 1 17 46 8  o 9.382837 2.938205  0.4568682      1.123711  1.148622       1.533932  -0.3443406     1.650833  1.804784       5.876410  
1 1 1 17 47 0  o 25.36256 4.423432  10.07125       1.452312  10.75205       1.607287  7.042848       3.389929  0.000000       0.000000  
1 1 1 17 47 1  o 29.90205 1.872890  9.806017       1.093834  9.497658       1.719469  10.01563       1.417677  -1.382858      3.745780  
1 1 1 17 47 2  o 15.53112 3.121290  3.112988       1.007194  3.428031       1.544044  2.879646       1.328834  1.096981       6.242580  
1 1 1 17 47 3  o 25.04882 2.849298  7.657537       1.366677  7.550198       1.777775  7.812633       2.136967  0.8137627      5.698595  
1 1 1 17 47 4  o 22.22415 3.314024  6.966730       1.242866  7.351650       1.421984  5.721053       2.558071  7.055851       6.628048  
1 1 1 17 47 5  o 9.960269 4.306783  0.000000       0.000000  ?              ?         0.6361190      1.573745  ?              ?         
1 1 1 17 47 6  o 25.46003 3.306459  9.534685       1.664407  15.07178       2.373954  4.181471       2.334204  20.13179       6.612917  
1 1 1 17 47 7  o 21.41512 3.343151  6.610074       1.544694  10.76413       2.323721  3.321014       2.067681  14.76048       6.686303  
1 1 1 17 48 0  o 6.675494 3.270816  -0.9709610     1.476199  0.2580903      1.904645  -2.819968      2.336137  0.000000       0.000000  
1 1 1 17 48 1  o 9.470062 2.893121  0.4606020E-01  1.068588  -1.234193      1.452684  1.555646       1.577436  -4.165887      5.786242  
1 1 1 17 48 2  o 29.09264 2.551385  10.13441       1.348009  10.48195       1.635657  9.398588       2.380012  3.640032       5.102770  
1 1 1 17 48 3  o 12.49532 3.268571  2.064874       1.081412  2.096844       1.421227  2.020911       1.666611  0.2058439      6.537143  
1 1 1 17 48 4  o 10.70557 3.270929  1.176931       1.281887  1.379321       1.842925  0.9872294      1.784223  0.6098843      6.541859  
1 1 1 17 48 5  o 12.78567 3.403850  2.063962       1.212263  4.145621       1.997127  0.8494943      1.525435  5.980545       6.807699  
1 1 1 17 49 0  o 23.05802 7.175119  8.571457       2.891165  8.571457       2.891165  8.571457       2.891165  0.000000       0.000000  
1 1 1 17 49 1  o 9.264827 3.034781  0.6477218E-01  1.281040  0.2251459      1.540437  -0.2948254     2.306672  -0.6657524     6.069561  
1 1 1 17 49 2  o 10.71461 3.332867  0.6633607      1.268668  -0.2792569     1.506754  2.959335       2.351572  -4.915598      6.665734  
1 1 1 17 49 3  o 28.87324 3.363251  11.98824       1.784632  14.87774       2.428579  8.596222       2.631293  12.04747       6.726503  
1 1 1 18 0  0  o 207.7868 3.567391  432.2644       14.79111  421.2705       20.37879  444.5036       21.50195  0.000000       0.000000  
1 1 1 18 0  1  o 249.3936 3.012908  623.1303       15.01819  623.3659       21.24033  622.8948       21.23754  0.000000       0.000000  
1 1 1 18 0  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 0  3  o 187.8888 2.804137  352.5477       9.876040  357.5553       17.32503  350.1372       12.02030  0.000000       0.000000  
1 1 1 18 0  4  o 39.60610 1.186520  15.71894       0.9089658 16.00123       1.479305  15.54770       1.152118  0.000000       0.000000  
1 1 1 18 0  5  o 112.8185 1.441087  127.4327       3.248869  128.3721       4.636919  126.5268       4.553408  0.000000       0.000000  
1 1 1 18 0  6  o 32.27807 2.045787  10.71189       1.281337  10.45831       1.971858  10.89722       1.685758  0.000000       0.000000  
1 1 1 18 0  7  o 52.44129 1.634875  27.46969       1.699610  29.81962       2.558775  25.61431       2.273634  0.000000       0.000000  
1 1 1 18 0  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 0  9  o 101.6620 1.974510  103.7355       4.006724  103.4019       5.732584  104.0542       5.602387  0.000000       0.000000  
1 1 1 18 0  10 o 8.545134 3.754762  0.5693921      1.237001  0.6109636      1.923387  0.5400677      1.615408  0.000000       0.000000  
1 1 1 18 0  11 o 9.433642 3.969461  1.008312       1.294322  0.5480202      2.058575  1.309239       1.664487  0.000000       0.000000  
1 1 1 18 0  12 o 48.95124 2.051344  24.63049       1.912834  22.90006       3.117987  25.67480       2.422206  0.000000       0.000000  
1 1 1 18 0  13 o 102.5949 2.083640  105.9401       4.266235  102.9788       6.038158  108.8921       6.028587  0.000000       0.000000  
1 1 1 18 0  14 o 14.07256 4.757046  2.915225       1.483601  3.318767       2.448961  2.681256       1.864732  0.000000       0.000000  
1 1 1 18 0  15 o 11.35324 4.397761  1.622143       1.416758  2.876564       2.297019  0.8519362      1.799893  0.000000       0.000000  
1 1 1 18 0  16 o 9.089327 3.986872  0.7429707      1.338483  1.032031       2.303454  0.5956149      1.644633  0.000000       0.000000  
1 1 1 18 0  17 o 30.86879 3.051912  10.58686       1.670403  9.005327       2.648468  11.63155       2.152519  0.000000       0.000000  
1 1 1 18 0  18 o 24.73837 4.522949  8.473659       1.765112  6.041150       3.274182  9.470257       2.095731  0.000000       0.000000  
1 1 1 18 0  19 o 10.92277 4.585337  1.724306       1.682805  -0.3950908     3.798074  2.241990       1.877108  0.000000       0.000000  
1 1 1 18 0  20 o 7.034288 3.559856  -2.057186      1.742388  -1.834852      3.361560  -2.138862      2.037446  0.000000       0.000000  
1 1 1 18 0  21 o 9.375546 6.087914  0.9652520      2.642278  0.9652520      2.642278  0.9652520      2.642278  0.000000       0.000000  
1 1 1 18 0  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 1  0  o 384.1942 4.622324  1479.303       35.46792  1446.416       49.03046  1515.403       51.36970  0.000000       0.000000  
1 1 1 18 1  1  o 326.9849 2.780316  1070.208       18.17173  1049.226       25.18384  1092.999       26.24650  -6.670563      5.560631  
1 1 1 18 1  2  o 100.1865 1.004617  99.94772       1.981515  102.8920       3.108327  97.93204       2.571854  2.470985       2.009235  
1 1 1 18 1  3  o 168.1871 1.862576  284.5782       6.232809  260.4692       9.010577  306.6974       8.630732  -13.74925      3.725153  
1 1 1 18 1  4  o 88.52916 1.079872  78.90826       1.899557  71.71840       2.760137  85.37784       2.618235  -7.716148      2.159743  
1 1 1 18 1  5  o 42.49511 0.7033053 18.05441       0.5959343 18.14840       0.8786565 17.97435       0.8109643 0.2042236      1.406611  
1 1 1 18 1  6  o 115.5071 1.359618  133.5757       3.068070  133.7986       3.939547  133.2322       4.891009  0.2629623      2.719237  
1 1 1 18 1  7  f 90.87181 1.269630  82.62309       2.306901  82.09528       3.222399  83.17799       3.304033  -0.5941238     2.539260  
1 1 1 18 1  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 1  9  f 62.51352 1.635441  39.11654       2.044744  39.11654       2.044744  ?              ?         ?              ?         
1 1 1 18 1  10 o 66.49142 1.223968  44.26899       1.627278  45.28031       2.297644  43.25116       2.305011  1.526108       2.447937  
1 1 1 18 1  11 o 26.30253 1.892962  6.934846       0.9946418 7.417565       1.427611  6.479489       1.386559  1.780762       3.785925  
1 1 1 18 1  12 f 77.69188 1.260869  60.35718       1.956080  58.73367       2.678292  62.21316       2.863630  -2.230629      2.521738  
1 1 1 18 1  13 o 39.08137 1.532300  15.30594       1.195673  14.84322       1.635143  15.83768       1.752861  -1.261105      3.064601  
1 1 1 18 1  14 o 12.86752 3.266889  1.423225       1.076194  1.074695       1.480371  1.813880       1.567281  -1.859332      6.533777  
1 1 1 18 1  15 o 25.26225 2.142985  6.452777       1.079245  5.764419       1.484948  7.223495       1.571273  -2.867393      4.285970  
1 1 1 18 1  16 o 23.39865 2.253059  5.524857       1.045558  4.833053       1.378342  6.462421       1.604597  -3.388895      4.506119  
1 1 1 18 1  17 o 9.920034 2.975851  0.1604685      1.026454  0.5234079E-01  1.423207  0.2776857      1.481818  -0.5617342     5.951702  
1 1 1 18 1  18 o 30.80841 1.965068  9.785542       1.209211  9.124287       1.690867  10.47773       1.729968  -2.174473      3.930135  
1 1 1 18 1  19 o 14.16106 3.331839  2.110790       1.147058  1.236445       1.585439  3.071168       1.661612  -4.328179      6.663677  
1 1 1 18 1  20 o 15.49379 2.660028  3.245554       0.7491189 1.515468       1.736277  3.641273       0.8303832 -6.381196      5.320056  
1 1 1 18 1  21 o 21.50346 4.295783  6.929436       1.966768  7.966795       2.724324  5.800299       2.842284  4.504128       8.591566  
1 1 1 18 1  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 2  0  o 88.51578 1.201712  78.27300       2.122400  75.42589       2.905115  81.53214       3.108221  0.000000       0.000000  
1 1 1 18 2  1  o 60.58714 0.9951788 36.65675       1.198329  37.23429       1.804887  36.20147       1.602494  0.8507652      1.990358  
1 1 1 18 2  2  o 173.3446 1.729746  298.3065       5.960853  280.2753       7.922661  321.8292       9.049018  -11.96989      3.459492  
1 1 1 18 2  3  o 157.5333 1.687962  244.3105       4.906023  258.7437       8.976116  238.1621       5.858517  6.486389       3.375923  
1 1 1 18 2  4  o 33.87584 1.088457  10.49342       0.6619723 13.76266       1.323901  9.403583       0.7643881 6.427849       2.176914  
1 1 1 18 2  5  o 13.29495 1.778884  2.149648       0.3658735 1.248973       0.7848761 2.399702       0.4135550 -4.387465      3.557768  
1 1 1 18 2  6  f 196.9929 2.204108  388.7653       8.495356  388.6151       10.93435  388.9940       13.49386  -0.1806641E-01 4.408215  
1 1 1 18 2  7  o 169.3945 2.097671  287.3964       7.104005  283.6630       9.887451  291.3800       10.21365  -2.267014      4.195343  
1 1 1 18 2  8  o 121.0264 3.207511  0.000000       0.000000  ?              ?         146.8848       7.763872  ?              ?         
1 1 1 18 2  9  o 186.5267 2.304218  348.8942       8.588471  341.4836       11.85454  357.0809       12.45993  -4.145859      4.608436  
1 1 1 18 2  10 o 39.20839 1.380308  15.48069       1.073565  16.18856       1.449520  14.62059       1.597786  2.004871       2.760615  
1 1 1 18 2  11 o 99.45763 1.399065  99.10171       2.782222  99.44524       3.893956  98.74345       3.976659  0.3565216      2.798131  
1 1 1 18 2  12 o 32.63715 1.649209  10.71196       1.068661  10.94539       1.436414  10.42258       1.599305  0.8109474      3.298418  
1 1 1 18 2  13 o 71.38280 1.292885  51.14416       1.844099  52.22355       2.570908  50.00024       2.646641  1.563446       2.585769  
1 1 1 18 2  14 o 55.13674 1.332560  30.54708       1.466069  30.63775       2.008023  30.44357       2.145464  0.1928711      2.665119  
1 1 1 18 2  15 f 46.71967 1.455464  21.98573       1.358330  22.24338       1.881789  21.70544       1.962703  0.5888863      2.910927  
1 1 1 18 2  16 o 24.99691 2.128248  6.451072       1.050620  6.837423       1.407594  5.965095       1.578681  1.810942       4.256495  
1 1 1 18 2  17 o 47.82314 1.433248  23.23495       1.363893  24.12988       1.860783  22.19597       2.004946  2.065807       2.866495  
1 1 1 18 2  18 o 27.17014 2.221626  7.666824       1.199678  6.582229       1.659767  8.853338       1.736000  -4.131033      4.443251  
1 1 1 18 2  19 o 28.65108 1.517835  7.474774       0.6661577 9.959585       1.674921  7.007855       0.7260537 4.622778       3.035670  
1 1 1 18 2  20 o 9.980049 2.754263  0.8406432      0.6318766 0.8071899      1.643644  0.8464447      0.6844777 1.826345       5.508526  
1 1 1 18 2  21 o 13.59413 3.110057  2.326106       0.8321280 1.551962       2.384135  2.433494       0.8879703 -1.970353      6.220113  
1 1 1 18 2  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 3  0  o 44.51398 1.042836  19.88890       0.9256354 19.67406       1.327731  20.09206       1.291129  0.000000       0.000000  
1 1 1 18 3  1  o 247.4966 2.115091  612.8942       10.46584  603.5956       14.56920  622.8089       15.04408  -3.873505      4.230182  
1 1 1 18 3  2  o 64.86862 0.8293651 41.77238       1.071169  45.40600       1.610934  38.89249       1.434152  5.019318       1.658730  
1 1 1 18 3  3  o 96.37116 1.176366  92.17004       2.206962  96.06122       3.589592  89.80525       2.798350  3.237411       2.352731  
1 1 1 18 3  4  o 136.8458 1.390636  187.1833       3.803739  182.1274       5.267998  192.6902       5.497967  -3.856125      2.781271  
1 1 1 18 3  5  o 74.77193 0.7824651 56.26678       1.127652  54.60082       1.848150  57.25482       1.423292  -1.778664      1.564930  
1 1 1 18 3  6  o 91.18295 1.009499  83.16990       1.840901  83.99161       2.618188  82.36646       2.588913  0.8907242      2.018998  
1 1 1 18 3  7  o 78.09370 0.9168969 60.98745       1.431804  62.18162       2.049294  59.84852       2.001310  1.493073       1.833794  
1 1 1 18 3  8  f 133.2036 2.431408  177.2171       6.460670  189.1129       9.567324  167.2451       8.759554  8.170090       4.862816  
1 1 1 18 3  9  o 110.8522 2.065930  123.0694       4.580256  123.0694       4.580256  ?              ?         ?              ?         
1 1 1 18 3  10 o 137.1844 1.758826  188.5862       4.825089  191.6679       6.888048  185.6170       6.761134  2.199493       3.517652  
1 1 1 18 3  11 o 61.31814 1.202857  37.67179       1.472669  40.43203       2.092886  34.96481       2.072598  4.457287       2.405713  
1 1 1 18 3  12 o 186.6146 2.332966  350.2821       8.707243  351.6524       12.30868  348.9094       12.31913  0.7358551      4.665932  
1 1 1 18 3  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 3  14 f 58.15083 1.319826  33.95710       1.522458  33.86964       2.026678  34.07038       2.306526  -0.1383705     2.639652  
1 1 1 18 3  15 o 56.72573 1.302810  32.33112       1.465363  32.18016       1.946877  32.52841       2.225666  -0.2656784     2.605620  
1 1 1 18 3  16 o 13.69516 3.131894  1.853579       0.9784620 1.401664       1.280672  2.487292       1.516548  -3.095346      6.263788  
1 1 1 18 3  17 o 14.69445 2.869139  1.845236       1.036990  -0.4060654E-01 1.370812  4.368245       1.585567  -10.75807      5.738278  
1 1 1 18 3  18 o 24.31635 1.629486  4.573181       0.6253632 8.792147       1.606928  3.820170       0.6788813 9.781748       3.258972  
1 1 1 18 3  19 o 13.65838 2.635646  1.950540       0.6171938 2.167032       1.462188  1.903606       0.6808177 0.6446943      5.271292  
1 1 1 18 3  20 o 11.36506 2.950897  1.336598       0.8375087 1.393160       1.511386  1.311534       1.006103  0.7850332      5.901795  
1 1 1 18 3  21 o 8.032176 2.725187  -0.2385155     0.6645647 -1.388847      2.534925  -0.1536187     0.6886513 3.727443       5.450374  
1 1 1 18 3  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 4  0  f 108.5054 1.400674  117.8663       3.037161  116.8569       4.265991  118.9039       4.325006  0.000000       0.000000  
1 1 1 18 4  1  o 51.72849 0.8364285 26.41092       0.8591338 22.71603       1.146604  31.14086       1.297300  -8.142288      1.672857  
1 1 1 18 4  2  o 29.71476 1.226632  7.573985       0.6575925 15.10622       1.186241  4.232427       0.7901063 18.29297       2.453263  
1 1 1 18 4  3  o 165.9550 1.788665  268.3036       5.407672  258.4787       6.380380  293.3602       10.18931  -10.44728      3.577331  
1 1 1 18 4  4  o 164.2848 1.538333  269.3438       4.978549  274.3003       7.774467  265.8983       6.481937  2.536499       3.076666  
1 1 1 18 4  5  o 104.9046 1.519286  113.4172       2.638411  104.3043       5.510732  116.1274       3.005241  -5.679329      3.038572  
1 1 1 18 4  6  o 57.02687 0.8309176 32.39631       0.9457281 35.12979       1.388310  30.02958       1.291820  4.470612       1.661835  
1 1 1 18 4  7  o 104.0257 1.560606  108.2746       3.246863  108.2746       3.246863  ?              ?         ?              ?         
1 1 1 18 4  8  o 32.31873 2.257828  10.79763       0.8100218 10.86516       0.8478381 10.09082       2.742813  1.271917       4.515655  
1 1 1 18 4  9  o 84.38143 1.756228  71.28080       2.963861  71.28080       2.963861  ?              ?         ?              ?         
1 1 1 18 4  10 o 51.71517 1.235888  26.61400       1.264070  25.74624       1.656154  27.82502       1.956476  -1.999924      2.471776  
1 1 1 18 4  11 o 62.04524 1.208911  38.56576       1.490137  38.70318       1.997342  38.39326       2.237851  0.2592316      2.417823  
1 1 1 18 4  12 o 57.23458 1.686161  32.80887       1.930134  32.80887       1.930134  ?              ?         ?              ?         
1 1 1 18 4  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 4  14 o 70.09576 1.305012  49.39441       1.822202  49.78602       2.474455  48.93042       2.693413  0.6372223      2.610023  
1 1 1 18 4  15 o 12.32562 3.178215  1.290513       0.9889022 1.247650       1.235616  1.366889       1.649384  -1.120592      6.356430  
1 1 1 18 4  16 o 15.54904 2.988281  2.366035       0.9353508 1.688924       1.154102  3.662098       1.596715  -5.563496      5.976562  
1 1 1 18 4  17 o 18.09960 1.744308  0.000000       0.000000  ?              ?         3.306473       0.6314256 ?              ?         
1 1 1 18 4  18 f 11.69822 2.902987  1.164402       0.7971944 1.956988       1.432951  0.8091384      0.9593641 3.814724       5.805974  
1 1 1 18 4  19 o 38.01865 1.308334  13.43494       0.8736261 17.53025       1.807120  12.18592       0.9979963 6.616055       2.616669  
1 1 1 18 4  20 o 16.75687 2.548379  2.900156       0.7143091 3.789966       1.559534  2.663925       0.8035532 1.781355       5.096757  
1 1 1 18 4  21 o 15.84033 3.459805  1.258886       0.7797782 7.789455       2.821944  0.7190120      0.8113699 14.15767       6.919611  
1 1 1 18 4  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 5  0  o 342.3358 4.130162  1175.301       28.25960  1174.730       39.92549  1175.874       40.00485  0.000000       0.000000  
1 1 1 18 5  1  o 285.2737 2.435129  814.9034       13.89266  819.5714       19.78101  810.3596       19.51605  1.609100       4.870258  
1 1 1 18 5  2  o 76.18610 0.9974294 58.43473       1.509616  51.92719       2.170744  64.52972       2.100811  -8.271500      1.994859  
1 1 1 18 5  3  o 218.9807 2.219167  482.7869       8.862033  473.7410       16.24332  486.6207       10.57448  -3.057648      4.438334  
1 1 1 18 5  4  o 86.14285 0.8662983 73.81824       1.431620  75.64276       2.404709  72.81655       1.781789  1.634651       1.732597  
1 1 1 18 5  5  o 203.3186 2.132943  417.6666       8.291980  401.5270       13.80382  426.7784       10.37181  -6.301376      4.265886  
1 1 1 18 5  6  o 53.23598 0.8515659 28.30848       0.9050674 27.70778       1.238122  28.99782       1.326344  -1.210537      1.703132  
1 1 1 18 5  7  o 183.7538 2.077039  335.6964       7.378520  328.2725       9.262414  348.5888       12.20608  -5.425232      4.154078  
1 1 1 18 5  8  o 156.0153 1.936483  243.3499       6.032775  254.0295       8.841727  234.0474       8.252032  6.380524       3.872966  
1 1 1 18 5  9  o 77.16760 1.118354  57.71817       1.560188  55.36295       1.829513  63.99798       2.987399  -5.562752      2.236708  
1 1 1 18 5  10 o 65.87235 1.220900  43.17219       1.590052  41.75038       2.081105  45.16623       2.464563  -2.580063      2.441800  
1 1 1 18 5  11 o 122.1964 1.612822  149.6761       3.939486  149.4979       5.480272  149.8667       5.666965  -0.1409912     3.225644  
1 1 1 18 5  12 o 79.37376 1.284829  63.00393       2.031120  61.91139       2.739084  64.33856       3.027380  -1.514206      2.569659  
1 1 1 18 5  13 o 34.12024 2.624686  10.88228       1.718422  8.574860       2.103072  15.51770       2.980814  -10.02353      5.249371  
1 1 1 18 5  14 o 48.11362 1.382770  23.26990       1.306111  23.27246       1.692943  23.26614       2.052905  0.5410385E-01  2.765539  
1 1 1 18 5  15 o 47.05117 1.015321  21.24812       0.8369993 24.23924       1.695358  20.28409       0.9624754 4.114555       2.030643  
1 1 1 18 5  16 o 15.97382 2.242780  2.475252       0.6289789 3.122932       1.248044  2.254742       0.7282208 2.145432       4.485559  
1 1 1 18 5  17 o 18.44154 2.244690  3.373297       0.7906402 4.432673       1.316147  2.775150       0.9889716 4.580969       4.489380  
1 1 1 18 5  18 o 23.41758 2.066013  5.087457       0.7675628 6.694708       1.835916  4.747016       0.8449525 3.589739       4.132026  
1 1 1 18 5  19 o 30.26633 1.748518  9.223823       1.039466  10.84191       1.673793  8.207998       1.326203  4.107758       3.497036  
1 1 1 18 5  20 o 11.83173 2.825762  1.370591       0.6815054 2.141087       1.481166  1.163666       0.7675822 3.117071       5.651524  
1 1 1 18 5  21 o 10.63133 3.316379  0.2692126      0.7714352 2.744293       2.728765  0.5421606E-01  0.8042427 7.140871       6.632757  
1 1 1 18 5  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 6  0  o 100.6009 1.346099  101.3330       2.705467  101.4755       3.873065  101.1972       3.780819  0.000000       0.000000  
1 1 1 18 6  1  o 179.3546 1.554200  321.7466       5.573315  326.6510       8.003233  317.1288       7.765844  2.651367       3.108400  
1 1 1 18 6  2  o 73.63644 0.9479707 55.41146       1.337249  49.87891       2.174812  58.77480       1.695681  -6.044472      1.895941  
1 1 1 18 6  3  o 197.1828 2.013484  388.4391       7.152302  391.1239       13.46978  387.3849       8.440501  0.8503113      4.026969  
1 1 1 18 6  4  o 132.7987 1.516448  177.3201       3.980507  182.3914       5.285180  170.6732       6.050741  4.425003       3.032895  
1 1 1 18 6  5  o 169.0965 1.803863  286.5149       5.763640  285.5724       9.931602  286.9934       7.077343  -0.4869843     3.607727  
1 1 1 18 6  6  o 109.3302 1.295264  119.5275       2.767908  120.0253       4.413749  119.2049       3.553473  0.3588333      2.590529  
1 1 1 18 6  7  o 58.01486 0.8734026 33.44114       1.006734  31.80834       1.336245  35.58466       1.531023  -3.251621      1.746805  
1 1 1 18 6  8  o 18.72559 1.939577  3.549610       0.7162784 3.767383       0.9554909 3.270222       1.082251  1.332708       3.879155  
1 1 1 18 6  9  o 91.85279 1.147048  83.64716       2.067096  88.45905       3.297131  80.53104       2.653287  4.297089       2.294095  
1 1 1 18 6  10 o 69.08765 1.045167  47.45168       1.415785  49.36017       2.255104  46.21007       1.818926  2.267143       2.090334  
1 1 1 18 6  11 o 88.78371 1.108088  76.27152       1.802890  85.49628       3.380054  72.60343       2.131406  7.215073       2.216176  
1 1 1 18 6  12 o 24.80342 2.162699  6.233895       1.030998  6.366261       1.298089  6.007720       1.696836  0.7580585      4.325398  
1 1 1 18 6  13 o 41.36341 1.517044  17.35892       0.9301609 16.91778       2.276905  17.44729       1.019076  -0.7556915     3.034088  
1 1 1 18 6  14 o 15.46272 2.346145  2.512802       0.6358294 2.370756       1.256637  2.561682       0.7371533 -0.9673624     4.692291  
1 1 1 18 6  15 o 43.47694 1.121914  18.50039       0.9569370 21.46652       1.546557  16.66030       1.218119  5.481045       2.243827  
1 1 1 18 6  16 o 11.20400 2.548198  1.252443       0.5843147 1.133270       1.231865  1.287040       0.6637335 0.3505411      5.096396  
1 1 1 18 6  17 o 17.31668 2.078813  2.966481       0.6429896 3.544628       1.214120  2.741122       0.7580174 1.796061       4.157625  
1 1 1 18 6  18 o 25.36417 1.853945  6.221244       0.8717448 7.669396       1.626124  5.637215       1.032674  3.694572       3.707890  
1 1 1 18 6  19 o 30.05970 1.366258  9.018090       0.7860981 9.949378       1.346632  8.536697       0.9681814 2.142448       2.732515  
1 1 1 18 6  20 o 11.47967 2.815554  1.321983       0.6891129 1.851283       1.465140  1.171631       0.7808771 2.362510       5.631107  
1 1 1 18 6  21 o 12.72031 3.330826  1.696335       0.8124580 2.561249       2.550394  1.598649       0.8571117 2.195027       6.661651  
1 1 1 18 6  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 7  0  o 247.0814 2.996538  611.5020       14.79355  620.2402       21.23738  603.2652       20.61880  0.000000       0.000000  
1 1 1 18 7  1  o 186.2039 1.737400  347.1339       6.407825  345.9283       9.754647  348.0492       8.498690  -0.5892792     3.474800  
1 1 1 18 7  2  o 91.90451 1.048763  85.46098       1.770243  82.01771       3.186861  86.99754       2.128902  -2.719551      2.097527  
1 1 1 18 7  3  o 70.03603 0.9096031 48.13773       1.124635  51.02977       2.215562  47.13390       1.305304  2.772926       1.819206  
1 1 1 18 7  4  o 182.3033 2.042999  326.8044       7.150109  312.4229       8.849367  353.8481       12.13507  -11.28238      4.085999  
1 1 1 18 7  5  f 178.8813 1.673729  321.0123       5.947264  314.2202       8.895797  326.5016       7.997190  -3.453354      3.347458  
1 1 1 18 7  6  o 66.33742 0.8312135 44.17331       1.098619  41.69307       1.595585  46.40910       1.514915  -3.555580      1.662427  
1 1 1 18 7  7  o 195.4907 2.409402  382.9100       9.410360  375.1388       12.96247  391.5695       13.68328  -4.170776      4.818804  
1 1 1 18 7  8  o 101.8554 1.626615  0.000000       0.000000  ?              ?         103.8334       3.313591  ?              ?         
1 1 1 18 7  9  o 82.46824 1.170195  68.07496       1.929533  70.26612       2.740522  65.92098       2.717172  2.633743       2.340390  
1 1 1 18 7  10 o 29.34358 1.167939  8.529186       0.6450872 8.357370       0.7849372 8.886703       1.132271  -0.8904781     2.335878  
1 1 1 18 7  11 o 116.9630 1.346404  136.3379       2.991122  139.2752       5.130107  134.8252       3.681678  1.837112       2.692807  
1 1 1 18 7  12 o 27.91546 2.013073  7.921749       1.069977  8.139051       1.334122  7.529991       1.791318  1.130505       4.026145  
1 1 1 18 7  13 o 15.83884 3.129982  2.195776       0.9021830 3.654467       1.915180  1.779768       1.022772  5.495829       6.259964  
1 1 1 18 7  14 o 79.67694 1.485977  63.66615       2.227918  64.52005       3.884905  63.24770       2.719564  0.6271667      2.971954  
1 1 1 18 7  15 o 59.05362 0.9955773 34.87281       1.102150  35.36139       1.936875  34.63885       1.340304  0.5365028      1.991155  
1 1 1 18 7  16 o 31.50723 1.289753  9.934327       0.7636097 10.24893       1.340577  9.783227       0.9290636 0.6409836      2.579507  
1 1 1 18 7  17 o 30.16694 1.492294  8.947042       0.8748976 10.42323       1.456614  8.113922       1.094277  3.704008       2.984589  
1 1 1 18 7  18 o 13.39567 2.745198  2.061050       0.7239417 1.245286       1.598443  2.271562       0.8119951 -2.399726      5.490396  
1 1 1 18 7  19 o 45.10493 1.188332  19.29090       1.019004  25.22611       1.817281  16.56893       1.230683  9.320396       2.376664  
1 1 1 18 7  20 o 18.45588 2.216244  3.180564       0.7282011 5.355765       1.469154  2.472111       0.8384423 7.071005       4.432488  
1 1 1 18 7  21 o 9.261818 2.932271  0.3837328      0.7478223 -0.3884609E-01 2.446794  0.4272740      0.7854046 2.841440       5.864541  
1 1 1 18 7  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 8  0  o 64.76912 1.215415  42.18960       1.362743  41.76122       2.711578  42.33435       1.576264  0.000000       0.000000  
1 1 1 18 8  1  o 91.38334 0.9364468 83.00826       1.689283  80.44608       2.202389  86.66987       2.632843  -3.401474      1.872894  
1 1 1 18 8  2  o 72.61237 1.099557  0.000000       0.000000  ?              ?         52.73463       1.596828  ?              ?         
1 1 1 18 8  3  o 170.2567 1.604154  289.9111       5.404020  291.4384       8.279248  288.7773       7.133074  0.7612457      3.208308  
1 1 1 18 8  4  o 133.3081 1.286750  177.7541       3.395074  178.2362       5.192002  177.3940       4.487412  0.3045502      2.573499  
1 1 1 18 8  5  o 73.01888 0.9063188 53.28181       1.322865  55.03508       1.908908  51.66184       1.834912  2.308891       1.812638  
1 1 1 18 8  6  o 165.2175 1.670057  273.2980       5.518092  272.5989       7.755297  274.0148       7.853146  -0.4259491     3.340114  
1 1 1 18 8  7  o 54.75994 0.9369420 29.99840       1.019346  29.98187       1.365121  30.01923       1.532499  -0.3116608E-01 1.873884  
1 1 1 18 8  8  o 62.33327 0.9073045 38.22391       1.109180  35.77889       1.416285  42.10235       1.783770  -5.064247      1.814609  
1 1 1 18 8  9  f 59.59680 1.349609  36.34217       1.558524  32.02280       2.447169  39.28958       2.021504  -6.110893      2.699217  
1 1 1 18 8  10 o 39.08341 1.242167  15.35648       0.9662651 14.52046       1.413805  16.08930       1.323656  -2.010345      2.484334  
1 1 1 18 8  11 o 134.9884 1.586855  183.3931       4.244815  176.8867       6.389981  188.5320       5.678888  -4.352005      3.173710  
1 1 1 18 8  12 o 63.14537 1.328923  40.25605       1.658208  42.11150       2.212349  37.87739       2.504932  3.370811       2.657846  
1 1 1 18 8  13 o 14.53027 3.258958  1.842530       0.9681241 2.925193       1.892513  1.458790       1.126707  4.623687       6.517916  
1 1 1 18 8  14 o 56.33123 1.289182  30.06781       1.222496  35.31133       2.643859  28.64183       1.378740  5.755592       2.578363  
1 1 1 18 8  15 o 43.75769 1.152261  18.81211       0.9927387 21.67001       1.582407  16.95727       1.274819  5.338829       2.304523  
1 1 1 18 8  16 o 57.92738 1.030414  33.64865       1.133342  34.08974       1.940472  33.42028       1.396234  0.4688683      2.060829  
1 1 1 18 8  17 o 8.762930 2.513100  0.2742036      0.6844062 0.7624822      1.088376  -0.4516403E-01 0.8802187 2.563423       5.026200  
1 1 1 18 8  18 o 22.97598 1.766789  4.765990       0.7427462 7.166888       1.456115  3.921601       0.8635355 6.746065       3.533578  
1 1 1 18 8  19 o 11.22266 2.586242  1.365234       0.7076941 0.4299673      1.234780  1.822732       0.8636082 -3.313761      5.172483  
1 1 1 18 8  20 o 8.019263 2.508954  0.2388013E-01  0.6957765 -0.1340499     1.437866  0.7216666E-01  0.7950585 1.731068       5.017908  
1 1 1 18 8  21 o 12.71795 3.534986  1.004252       0.8142147 4.683007       2.754416  0.6520192      0.8523036 8.230662       7.069972  
1 1 1 18 8  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 9  0  o 34.50308 1.453390  12.85918       0.8713729 10.25984       1.596089  13.96288       1.040045  0.000000       0.000000  
1 1 1 18 9  1  o 129.4381 1.238499  168.0312       3.197884  175.8209       4.436523  159.6071       4.613657  6.265358       2.476997  
1 1 1 18 9  2  o 163.2423 1.641615  266.6389       5.358972  262.7773       7.508187  270.6491       7.651301  -2.408585      3.283229  
1 1 1 18 9  3  o 190.8481 1.905994  364.5299       7.272730  369.9332       10.44646  359.4478       10.13117  2.739975       3.811988  
1 1 1 18 9  4  o 60.06788 1.008758  35.19250       1.184216  40.25254       1.935469  32.16476       1.497162  6.726330       2.017516  
1 1 1 18 9  5  o 134.4110 1.302160  180.2357       3.455745  184.2011       5.357730  177.4107       4.522155  2.510132       2.604320  
1 1 1 18 9  6  o 161.6990 1.646575  261.6124       5.320768  257.4004       7.355985  266.2342       7.705588  -2.722015      3.293150  
1 1 1 18 9  7  o 180.8014 2.048370  325.8341       7.185407  320.3331       9.079491  335.0533       11.75405  -3.964294      4.096741  
1 1 1 18 9  8  o 90.07491 1.064450  81.09376       1.907811  80.17611       2.564608  82.23080       2.854759  -1.132797      2.128900  
1 1 1 18 9  9  o 38.24865 1.157335  14.70167       0.8265499 14.80677       1.004846  14.48178       1.453473  0.4379539      2.314669  
1 1 1 18 9  10 o 100.8278 1.139825  101.8265       2.293206  102.5224       3.143901  101.0354       3.352285  0.7447052      2.279649  
1 1 1 18 9  11 o 99.67159 1.286179  99.63456       2.536778  98.61475       3.869516  100.4032       3.359413  -0.9200897     2.572357  
1 1 1 18 9  12 o 26.94484 2.183127  6.767622       1.130663  5.339182       1.387479  9.591370       1.950781  -7.827379      4.366255  
1 1 1 18 9  13 o 32.65073 1.371318  10.58232       0.8746197 11.24367       1.414550  10.17302       1.112832  1.609871       2.742636  
1 1 1 18 9  14 o 20.34274 2.503116  4.232087       0.9925162 4.878348       1.489831  3.716397       1.330845  3.114504       5.006233  
1 1 1 18 9  15 o 41.89951 1.081150  17.49560       0.8726385 18.13853       1.455269  17.13462       1.090431  1.145962       2.162299  
1 1 1 18 9  16 o 35.88147 1.211341  12.82963       0.8363138 13.55652       1.404054  12.42993       1.041163  1.478447       2.422682  
1 1 1 18 9  17 o 22.15620 2.478419  4.659163       0.8022946 6.059006       2.034833  4.401491       0.8730174 2.667120       4.956837  
1 1 1 18 9  18 o 22.39234 2.106828  0.000000       0.000000  ?              ?         5.117079       0.9435360 ?              ?         
1 1 1 18 9  19 o 42.24767 1.191397  17.79446       0.9676489 19.31111       1.636304  16.97885       1.199953  2.561058       2.382795  
1 1 1 18 9  20 o 26.86533 1.581330  7.155752       0.7594589 8.485586       1.494809  6.693046       0.8817391 2.699390       3.162661  
1 1 1 18 9  21 o 10.69433 3.284970  0.5970858      0.8794655 2.176161       2.585893  0.3905458      0.9352147 5.031532       6.569939  
1 1 1 18 9  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 10 0  o 8.701771 3.313574  0.5708833      0.8417786 2.068403       1.440907  -0.2050105     1.037172  0.000000       0.000000  
1 1 1 18 10 1  o 89.93040 0.9523993 80.92337       1.694962  80.71795       2.590211  81.07722       2.241502  -0.2033768     1.904799  
1 1 1 18 10 2  o 313.1414 2.894521  978.3696       17.82686  1009.734       28.06861  957.1643       23.07935  8.226990       5.789041  
1 1 1 18 10 3  f 191.5761 1.790005  368.0746       6.803301  362.2384       10.25107  372.6686       9.094984  -2.748352      3.580010  
1 1 1 18 10 4  o 278.3722 2.920725  774.4471       15.25550  768.6957       18.56413  786.4097       26.77272  -2.851471      5.841451  
1 1 1 18 10 5  o 102.8708 1.057911  106.0697       2.172467  100.0456       3.102032  111.8684       3.043468  -5.747414      2.115822  
1 1 1 18 10 6  o 174.1833 1.564982  305.6227       5.335238  294.4509       8.381685  313.2327       6.917672  -5.431625      3.129964  
1 1 1 18 10 7  o 29.40405 1.061117  8.395253       0.6098976 9.853091       0.9988066 7.528492       0.7701516 3.947798       2.122234  
1 1 1 18 10 8  o 52.88435 0.9506397 27.87067       0.9876799 27.38899       1.276676  28.58871       1.558757  -1.127533      1.901279  
1 1 1 18 10 9  o 52.99544 1.250887  27.83054       1.120448  27.58438       1.276422  28.65715       2.339042  -0.9782181     2.501774  
1 1 1 18 10 10 o 66.98355 1.189822  43.76565       1.418335  42.45379       1.650585  47.46822       2.772978  -3.701180      2.379643  
1 1 1 18 10 11 o 97.52881 1.442352  95.34688       2.798481  95.57099       3.770929  95.07214       4.175172  0.2768402      2.884704  
1 1 1 18 10 12 o 46.90724 1.501190  22.07539       1.347742  22.05823       1.678012  22.10659       2.262300  -0.2357483E-02 3.002380  
1 1 1 18 10 13 o 36.93373 1.316475  13.73705       0.9693949 12.84683       1.394749  14.56896       1.348294  -2.336254      2.632950  
1 1 1 18 10 14 o 16.01856 2.427256  2.650046       0.7731984 3.487784       1.129754  1.911913       1.060467  5.058473       4.854513  
1 1 1 18 10 15 o 27.71127 1.355864  7.483960       0.7340493 8.917440       1.205524  6.639309       0.9253772 4.056288       2.711729  
1 1 1 18 10 16 o 43.05844 1.122846  18.22948       0.9316707 20.35019       1.575808  17.08977       1.155202  3.684185       2.245691  
1 1 1 18 10 17 o 38.22615 1.763771  15.14567       1.101094  14.58339       2.359329  15.30225       1.244995  -1.420685      3.527542  
1 1 1 18 10 18 o 20.89447 1.814862  4.547043       0.7481904 4.275464       1.133912  4.756455       0.9957098 -1.241508      3.629723  
1 1 1 18 10 19 o 33.53301 1.622565  11.60872       1.087057  11.89242       1.516179  11.30863       1.559392  0.9001198      3.245130  
1 1 1 18 10 20 o 11.41264 3.188816  1.166564       0.8322310 1.334216       2.276854  1.140712       0.8940989 2.239925       6.377632  
1 1 1 18 10 21 o 15.42699 2.622539  3.156626       0.9809361 4.927574       1.278159  0.6187547      1.530090  11.02886       5.245078  
1 1 1 18 10 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 11 0  o 155.2022 2.216557  244.4187       6.073379  234.8283       11.65140  247.9966       7.116689  0.000000       0.000000  
1 1 1 18 11 1  o 140.5592 1.347872  198.2109       3.763143  192.9667       5.621469  202.4692       5.065607  -3.389130      2.695743  
1 1 1 18 11 2  o 84.33659 0.9982953 71.10818       1.683341  69.15303       2.347137  73.17897       2.415544  -2.385971      1.996591  
1 1 1 18 11 3  o 228.5812 1.965913  523.2499       8.987172  521.0169       12.65371  525.5229       12.76661  -0.9826355     3.931827  
1 1 1 18 11 4  o 244.0727 2.560809  599.0048       11.84074  602.6270       14.59634  592.0338       20.24921  2.377533       5.121617  
1 1 1 18 11 5  o 66.24383 0.9044788 43.29572       1.188795  39.26196       1.565252  48.79414       1.827461  -7.190979      1.808958  
1 1 1 18 11 6  o 136.1081 1.316963  185.1261       3.540303  183.5618       4.644484  187.2955       5.469583  -1.351364      2.633926  
1 1 1 18 11 7  o 80.54682 0.9985021 64.21255       1.460445  66.60345       2.733903  63.25780       1.727602  2.054367       1.997004  
1 1 1 18 11 8  o 39.07616 1.057132  15.49239       0.8070212 14.19972       1.255353  16.40292       1.053579  -2.824402      2.114265  
1 1 1 18 11 9  o 120.6241 1.309577  145.6113       3.151272  144.5394       4.298137  146.8572       4.633924  -0.9486771     2.619154  
1 1 1 18 11 10 o 93.29288 1.111711  87.28010       2.070842  91.15059       2.892619  83.21081       2.965983  4.257973       2.223421  
1 1 1 18 11 11 o 18.06929 2.599911  3.427290       0.9189293 2.575160       1.332333  4.200450       1.269096  -4.745080      5.199822  
1 1 1 18 11 12 o 11.96106 2.746016  1.539756       0.7366257 1.925118       0.8025334 -0.5215536     1.856096  3.185204       5.492032  
1 1 1 18 11 13 o 49.33374 1.178116  24.49400       1.159001  22.95520       1.666500  25.93552       1.612960  -3.026146      2.356232  
1 1 1 18 11 14 o 17.74472 2.281804  3.249395       0.7920033 3.001215       1.108138  3.508552       1.132379  -1.713480      4.563608  
1 1 1 18 11 15 o 33.25964 1.279994  11.13041       0.8506431 11.47102       1.235961  10.82386       1.172526  0.9597435      2.559988  
1 1 1 18 11 16 o 48.71593 1.078772  23.40977       1.024571  26.04164       1.679887  21.85088       1.292875  4.212147       2.157544  
1 1 1 18 11 17 o 22.89656 1.765867  5.340863       0.8062394 5.925056       1.188241  4.842449       1.097542  2.319908       3.531735  
1 1 1 18 11 18 o 21.63191 1.621984  4.775679       0.6990691 4.297539       0.9451917 5.353073       1.038673  -2.382504      3.243968  
1 1 1 18 11 19 o 31.74273 1.241454  10.49395       0.7708136 11.63404       1.028427  9.032509       1.164379  4.180944       2.482909  
1 1 1 18 11 20 o 21.19204 3.358421  4.599557       1.186664  8.126303       2.643797  3.709784       1.327947  6.979792       6.716842  
1 1 1 18 11 21 o 11.82480 3.033225  1.833144       0.9896078 -0.9507113     2.552386  2.325669       1.073586  -3.706311      6.066449  
1 1 1 18 12 0  o 274.9888 3.846726  761.4955       18.39446  754.1752       36.39510  764.0070       21.31754  0.000000       0.000000  
1 1 1 18 12 1  o 40.98980 1.006878  17.06535       0.7967531 15.76882       1.282649  17.87996       1.016695  -2.578621      2.013756  
1 1 1 18 12 2  o 67.84106 0.9220541 46.01588       1.250626  44.35888       1.748760  47.75048       1.789239  -2.499168      1.844108  
1 1 1 18 12 3  o 77.19881 0.9731746 59.61398       1.502459  60.58375       2.135093  58.66270       2.114650  1.243935       1.946349  
1 1 1 18 12 4  o 70.36921 0.8473720 49.64413       1.187428  50.85329       1.617538  48.23098       1.748670  1.864929       1.694744  
1 1 1 18 12 5  o 81.95045 0.8456541 67.14040       1.385475  68.60989       1.994295  65.76956       1.926194  1.731956       1.691308  
1 1 1 18 12 6  o 27.65495 1.193267  7.795692       0.6412845 8.350405       0.8328343 6.987795       1.005084  2.467564       2.386535  
1 1 1 18 12 7  o 84.70338 0.9949820 71.80052       1.685144  71.98631       2.358532  71.60678       2.408563  0.2252579      1.989964  
1 1 1 18 12 8  o 146.4945 1.596107  215.3870       4.431962  213.7711       7.579763  216.2264       5.463178  -0.9222870     3.192214  
1 1 1 18 12 9  o 81.07123 0.9140915 65.60537       1.459712  64.83730       1.900515  66.71027       2.279461  -1.145134      1.828183  
1 1 1 18 12 10 o 98.51750 1.190245  97.23022       2.179797  97.30288       2.635494  97.07289       3.878188  0.1656113      2.380489  
1 1 1 18 12 11 o 55.77446 1.020583  30.64251       1.097187  29.34943       1.365728  32.99607       1.842529  -3.249039      2.041167  
1 1 1 18 12 12 o 26.70119 3.046240  5.445467       0.7967198 5.188132       0.8189909 9.984939       3.439789  -7.915323      6.092480  
1 1 1 18 12 13 o 47.49574 1.046816  22.73621       0.9743683 23.20929       1.265224  22.04671       1.527451  1.249611       2.093632  
1 1 1 18 12 14 o 19.66082 1.862905  3.894474       0.6861826 3.868727       0.8343292 3.948290       1.206247  -0.1251926     3.725811  
1 1 1 18 12 15 o 33.60094 1.192619  11.54030       0.7735844 12.07459       0.9870874 10.68974       1.245438  2.115601       2.385237  
1 1 1 18 12 16 o 21.14674 1.684824  4.747776       0.6706000 5.284115       0.8496165 3.861502       1.092162  3.446566       3.369648  
1 1 1 18 12 17 o 18.26256 1.792976  3.447929       0.6466361 3.615273       0.8629686 3.233667       0.9764780 1.102821       3.585952  
1 1 1 18 12 18 o 17.18144 2.176906  3.149061       0.7278424 3.246605       0.9906830 3.034662       1.072872  0.9676113      4.353813  
1 1 1 18 12 19 o 13.99692 2.718588  2.244955       0.7532302 2.223579       0.9155065 2.289739       1.325158  0.1072302      5.437176  
1 1 1 18 12 20 f 14.96971 3.500772  2.555680       0.9965339 3.655248       2.474098  2.342742       1.088758  1.975855       7.001544  
1 1 1 18 12 21 o 13.25387 3.720381  1.688018       1.332670  4.650354       2.645588  0.6807410      1.542693  6.622852       7.440761  
1 1 1 18 13 0  o 70.87212 1.567489  50.42606       2.211848  54.87374       3.153122  46.11721       3.103518  0.000000       0.000000  
1 1 1 18 13 1  o 76.29488 0.8359180 58.22626       1.275414  58.31603       1.792614  58.13424       1.815009  0.1194000      1.671836  
1 1 1 18 13 2  o 118.1037 1.341574  137.2292       2.924318  145.6736       5.349816  133.6310       3.492221  5.063118       2.683149  
1 1 1 18 13 3  f 199.0830 1.727741  396.8153       6.878998  399.3965       9.782434  394.2903       9.675196  1.279663       3.455482  
1 1 1 18 13 4  o 112.8481 1.129214  127.7965       2.538643  132.5568       3.480852  122.3874       3.710510  4.509979       2.258428  
1 1 1 18 13 5  o 78.18375 0.9275432 61.02148       1.426256  60.43412       1.851264  61.87926       2.237148  -0.9176025     1.855086  
1 1 1 18 13 6  o 46.43733 0.8784587 21.66851       0.8100283 22.47426       1.094532  20.69279       1.204446  1.920216       1.756917  
1 1 1 18 13 7  o 66.31328 0.8628849 44.08882       1.129423  44.57551       1.486434  43.42405       1.737216  0.8736496      1.725770  
1 1 1 18 13 8  o 26.43728 1.179243  7.290430       0.5605587 7.719994       0.6720441 6.308166       1.016245  2.680248       2.358486  
1 1 1 18 13 9  o 82.47311 0.8940392 65.77061       1.358313  62.44712       1.611464  73.92687       2.524458  -6.934875      1.788078  
1 1 1 18 13 10 o 44.94713 1.035142  18.79830       0.6916687 18.14866       0.7512677 22.41227       1.771944  -4.707935      2.070284  
1 1 1 18 13 11 o 50.11404 0.9430060 25.18247       0.9434460 23.58985       1.340400  26.74613       1.328153  -3.149643      1.886012  
1 1 1 18 13 12 o 61.93142 1.239441  38.40960       1.535207  38.40960       1.535207  ?              ?         ?              ?         
1 1 1 18 13 13 o 18.46366 2.128300  3.374013       0.6617999 3.243835       0.7589419 3.787125       1.351992  -1.018002      4.256600  
1 1 1 18 13 14 o 66.31236 1.036187  44.17079       1.340691  44.28620       1.718264  43.99119       2.143541  0.2766495      2.072375  
1 1 1 18 13 15 o 61.90101 1.014582  38.75312       1.235349  39.89635       1.621077  37.16966       1.907837  2.255390       2.029163  
1 1 1 18 13 16 o 49.37521 1.047290  24.84170       1.007034  25.99500       1.302636  23.12863       1.587592  2.966194       2.094580  
1 1 1 18 13 17 o 15.18378 2.172375  2.464043       0.6370848 2.260469       0.8761616 2.692429       0.9280213 -1.385909      4.344750  
1 1 1 18 13 18 o 7.989311 2.340141  0.1881354E-01  0.6317860 -0.4882519     0.8208104 0.7559379      0.9896492 -3.315257      4.680282  
1 1 1 18 13 19 o 17.30215 2.079998  3.230132       0.6951028 3.114727       0.9101571 3.391654       1.076759  -0.3150635     4.159997  
1 1 1 18 13 20 o 13.33035 3.617399  1.496951       1.251389  4.113548       2.450148  0.5735127      1.455552  6.863188       7.234797  
1 1 1 18 13 21 o 10.89055 3.037608  1.341108       0.9981863 -1.753508      2.695291  1.833018       1.074596  -2.495826      6.075217  
1 1 1 18 14 0  o 91.11890 1.832176  83.15577       3.335908  83.15577       3.335908  83.15577       3.335908  0.000000       0.000000  
1 1 1 18 14 1  o 158.8418 1.404879  252.4777       4.462578  254.7865       6.368268  250.2502       6.255324  1.425598       2.809758  
1 1 1 18 14 2  o 20.99717 1.446530  4.421059       0.6052063 3.963623       0.8524839 4.885881       0.8593390 -2.195999      2.893059  
1 1 1 18 14 3  o 87.56155 0.9727077 76.84247       1.690287  75.54257       2.542493  77.87205       2.262741  -1.334518      1.945415  
1 1 1 18 14 4  o 171.4171 1.503659  294.1710       5.155045  294.9170       7.298579  293.4284       7.282118  0.4337616      3.007318  
1 1 1 18 14 5  o 195.3164 1.843407  381.0244       7.094961  375.4669       9.240951  389.0046       11.07340  -3.399429      3.686813  
1 1 1 18 14 6  o 157.6111 1.707640  250.4518       5.096472  253.8032       6.291320  244.0543       8.692310  3.190002       3.415279  
1 1 1 18 14 7  o 150.2930 1.443929  226.4947       4.295609  228.2146       5.693472  224.2218       6.544959  1.359116       2.887857  
1 1 1 18 14 8  o 82.90327 0.9560925 68.55917       1.559572  67.58696       2.024178  69.97938       2.446489  -1.431946      1.912185  
1 1 1 18 14 9  o 98.91942 0.9961520 97.44680       1.878412  96.33425       2.321239  99.55760       3.197325  -1.601410      1.992304  
1 1 1 18 14 10 o 62.26409 0.8276961 38.95861       0.9640613 39.26185       1.174151  38.33121       1.688887  0.7623901      1.655392  
1 1 1 18 14 11 o 19.73718 1.579240  3.660619       0.5773545 3.296640       0.6824864 4.576652       1.082708  -3.209127      3.158479  
1 1 1 18 14 12 o 52.53894 0.9357823 27.87823       0.8371400 28.08719       0.9607544 27.21934       1.706058  0.8732338      1.871565  
1 1 1 18 14 13 o 28.12380 1.230760  7.993394       0.6849651 6.638152       0.9654163 9.367159       0.9719912 -4.850945      2.461520  
1 1 1 18 14 14 o 77.82834 0.9591821 60.69327       1.489877  62.01028       2.188837  59.55631       2.033712  1.557228       1.918364  
1 1 1 18 14 15 o 25.46604 1.332722  6.647926       0.6623075 8.312607       0.9371938 4.987144       0.9360957 6.528944       2.665443  
1 1 1 18 14 16 o 9.477509 2.534404  0.7072280      0.6611139 0.9336096      0.8318596 0.3190853      1.089244  0.8704920      5.068807  
1 1 1 18 14 17 o 22.39324 1.595000  5.167643       0.6991868 5.397144       0.9131560 4.842434       1.087011  1.316294       3.190001  
1 1 1 18 14 18 o 20.27308 1.610455  4.412316       0.5463666 4.585261       0.6290304 3.880971       1.102569  2.020483       3.220911  
1 1 1 18 14 19 o 11.64090 2.279446  1.647707       0.4351259 1.747128       0.4584699 0.7453229      1.381236  2.795030       4.558893  
1 1 1 18 14 20 o 13.43615 3.537339  1.105329       1.071655  4.951082       2.533159  0.2670115      1.182703  9.465979       7.074678  
1 1 1 18 14 21 o 11.71520 4.421541  0.000000       0.000000  ?              ?         1.689670       1.414362  ?              ?         
1 1 1 18 15 0  o 31.41106 1.575587  9.941410       0.8988045 10.21710       1.642776  9.823626       1.073776  0.000000       0.000000  
1 1 1 18 15 1  o 81.50041 1.270576  66.09846       2.065179  60.48709       2.805506  72.73545       3.051140  -7.509445      2.541152  
1 1 1 18 15 2  o 236.8973 2.211365  561.6157       10.34591  567.7690       15.98483  557.1797       13.57212  2.148758       4.422729  
1 1 1 18 15 3  o 187.7784 1.640148  352.9943       6.158610  357.3710       8.810094  348.8117       8.612449  2.273392       3.280297  
1 1 1 18 15 4  o 189.2788 1.908695  358.9507       7.225333  361.4427       10.26172  356.5005       10.17516  1.302383       3.817391  
1 1 1 18 15 5  o 171.2197 1.782744  291.8757       5.466393  289.5842       6.418902  297.9243       10.42850  -2.283051      3.565487  
1 1 1 18 15 6  o 163.5550 1.669125  267.3875       5.448031  258.8136       7.419466  277.4193       8.025535  -5.662308      3.338250  
1 1 1 18 15 7  o 61.76623 1.072501  38.16651       1.324887  38.16651       1.324887  ?              ?         ?              ?         
1 1 1 18 15 8  o 73.68746 0.8756422 53.07838       1.202766  51.00700       1.444363  57.76387       2.172320  -4.566498      1.751284  
1 1 1 18 15 9  o 40.04707 0.9579059 15.91104       0.6950431 15.72360       0.8215375 16.38304       1.303679  -0.8082314     1.915812  
1 1 1 18 15 10 o 41.91851 0.9912968 17.42718       0.8140228 16.81821       1.042093  18.38040       1.303786  -1.853325      1.982594  
1 1 1 18 15 11 o 75.49451 1.003613  57.50840       1.430490  58.37796       1.761261  55.82296       2.452055  1.733940       2.007226  
1 1 1 18 15 12 o 33.48935 1.119534  9.552933       0.6133765 8.496644       0.6770438 14.39008       1.448839  -8.726942      2.239069  
1 1 1 18 15 13 o 9.334272 2.299664  0.6522716      0.4865064 0.4400972      0.5709716 1.214511       0.9294556 -3.550452      4.599329  
1 1 1 18 15 14 o 79.62838 0.9192273 63.69114       1.440206  64.06190       1.878557  63.16250       2.243106  0.6098328      1.838455  
1 1 1 18 15 15 o 69.87127 0.8929105 48.88903       1.213204  48.37505       1.541012  49.72693       1.967573  -0.8888550     1.785821  
1 1 1 18 15 16 o 35.85637 1.051195  13.17371       0.7280254 13.90634       0.9323886 12.02937       1.165290  2.674343       2.102390  
1 1 1 18 15 17 o 12.45633 2.819549  1.585288       0.7790728 1.970422       1.255780  1.344306       0.9933432 2.078911       5.639098  
1 1 1 18 15 18 o 18.13810 2.264814  4.072073       0.6344313 4.511435       0.7243327 2.624367       1.314823  5.859159       4.529629  
1 1 1 18 15 19 o 15.95870 2.204983  2.955575       0.6042755 3.107881       0.7066851 2.541330       1.165456  2.654634       4.409966  
1 1 1 18 15 20 o 9.826527 3.176342  -0.2096003E-03 1.165983  0.4159967      2.500045  -0.1159064     1.318117  2.879697       6.352683  
1 1 1 18 15 21 o 9.533600 3.996999  0.000000       0.000000  ?              ?         0.7897617      1.284701  ?              ?         
1 1 1 18 16 0  o 49.11662 1.308451  24.61248       1.179591  23.26165       2.101810  25.23359       1.425208  0.000000       0.000000  
1 1 1 18 16 1  o 123.6770 1.239162  153.1423       3.039049  153.6024       4.045997  152.5467       4.603504  0.4386597      2.478324  
1 1 1 18 16 2  o 66.91107 0.9100090 44.18356       1.191219  42.04457       1.517154  47.62194       1.923542  -4.161118      1.820018  
1 1 1 18 16 3  o 95.93889 0.9836468 92.01977       1.818801  91.82650       2.283861  92.35483       3.007235  -0.2619705     1.967294  
1 1 1 18 16 4  o 27.78276 1.198965  8.116802       0.6014034 8.731831       0.7267062 6.780106       1.071340  3.520670       2.397931  
1 1 1 18 16 5  o 132.7944 1.420033  179.5944       3.484109  184.7316       4.222224  168.6310       6.168041  6.128693       2.840067  
1 1 1 18 16 6  o 95.82005 1.214246  90.67420       2.273880  97.57079       3.681675  86.42108       2.891226  5.793991       2.428491  
1 1 1 18 16 7  o 77.13387 0.9854990 59.38131       1.513595  57.94046       2.036039  61.16128       2.262997  -2.081841      1.970998  
1 1 1 18 16 8  o 101.2141 1.230634  102.5113       2.491151  102.5113       2.491151  ?              ?         ?              ?         
1 1 1 18 16 9  o 103.2090 1.215054  107.0297       2.216954  107.4385       2.590715  105.9119       4.284614  0.8082275      2.430109  
1 1 1 18 16 10 o 56.88913 0.8857257 31.87843       0.9495496 30.90330       1.154037  33.92240       1.670798  -2.633724      1.771451  
1 1 1 18 16 11 o 29.18785 1.270074  7.685171       0.6656376 6.742918       0.7669545 10.56150       1.340001  -6.493700      2.540147  
1 1 1 18 16 12 o 75.23721 1.128056  56.91641       1.661710  57.39629       2.146560  56.19878       2.625010  0.8457870      2.256112  
1 1 1 18 16 13 o 51.33116 0.9410070 26.25461       0.9628026 24.39073       1.298468  28.53094       1.434958  -4.018955      1.882014  
1 1 1 18 16 14 o 63.10488 0.8585913 39.99969       1.058352  40.16536       1.359644  39.74496       1.685906  0.3775940      1.717183  
1 1 1 18 16 15 o 11.90144 2.114042  1.676591       0.5421209 2.206356       0.6516340 0.4856386      0.9770327 5.686086       4.228084  
1 1 1 18 16 16 o 49.33858 1.240398  25.00148       1.093059  25.49851       1.291366  23.74559       2.052729  2.012432       2.480796  
1 1 1 18 16 17 o 44.44369 1.167872  19.91825       1.004722  19.63123       1.266426  20.40570       1.650432  -0.7171059     2.335744  
1 1 1 18 16 18 o 35.32158 1.190290  12.85787       0.7470034 13.09478       0.8796717 12.24528       1.414520  1.438793       2.380579  
1 1 1 18 16 19 o 38.60516 1.012586  15.38428       0.7621318 16.17183       0.9900039 14.23856       1.194091  2.640270       2.025172  
1 1 1 18 16 20 o 8.568647 2.632654  0.8092494E-01  0.8594658 -0.5330355     1.166756  0.8093105      1.270839  -2.474583      5.265308  
1 1 1 18 16 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 17 0  o 243.8713 3.662262  596.1324       16.78578  602.0425       29.25487  593.2318       20.49517  0.000000       0.000000  
1 1 1 18 17 1  o 175.6950 1.550084  309.0815       5.446832  309.1931       7.696819  308.9693       7.709162  0.6404114E-01  3.100168  
1 1 1 18 17 2  o 72.51296 0.9919338 52.56963       1.437931  50.53553       2.004646  54.72539       2.063724  -2.887909      1.983868  
1 1 1 18 17 3  o 124.9080 1.370795  155.8520       3.067990  155.4276       3.608137  156.9595       5.829329  -0.5515137     2.741590  
1 1 1 18 17 4  o 74.25737 0.9758034 55.41066       1.317780  55.74228       1.568493  54.61482       2.429791  0.7788162      1.951607  
1 1 1 18 17 5  o 18.51195 1.717911  3.204884       0.6118229 2.631323       0.7502186 4.343871       1.057200  -4.612156      3.435822  
1 1 1 18 17 6  o 77.51425 1.082664  60.14237       1.672477  60.05437       2.470619  60.21681       2.272289  -0.1102676     2.165328  
1 1 1 18 17 7  o 73.71042 0.8930080 54.70552       1.256005  55.52098       1.564186  53.22536       2.107354  1.570839       1.786016  
1 1 1 18 17 8  o 18.51886 1.884366  3.242971       0.6178563 3.036914       0.7121173 3.870435       1.242658  -2.217993      3.768732  
1 1 1 18 17 9  o 31.10745 1.222836  9.825146       0.6554987 9.958733       0.7577178 9.427798       1.306799  0.8767242      2.445672  
1 1 1 18 17 10 o 40.10220 1.225472  15.71596       0.7708464 15.47842       0.8533698 16.76901       1.796779  -1.552670      2.450944  
1 1 1 18 17 11 o 23.55151 2.421525  5.352780       0.7799579 5.216664       0.8403677 6.198731       2.095007  -1.495964      4.843050  
1 1 1 18 17 12 o 44.94322 1.693664  21.18887       1.030608  21.50425       1.110968  19.24242       2.759990  2.765488       3.387329  
1 1 1 18 17 13 o 23.70361 1.614636  5.776199       0.5727967 5.833024       0.6300035 5.505243       1.375697  0.8259506      3.229272  
1 1 1 18 17 14 o 41.21310 1.033207  16.67435       0.6993657 16.37900       0.7860801 17.79584       1.531783  -1.583153      2.066414  
1 1 1 18 17 15 o 51.92228 1.378909  27.67784       1.069150  27.89416       1.174809  26.63490       2.579559  1.590618       2.757818  
1 1 1 18 17 16 o 10.55396 2.645881  0.8595846      0.6273560 0.6084018      0.7232426 1.622951       1.260827  -4.004790      5.291761  
1 1 1 18 17 17 o 22.37714 1.556850  5.454672       0.6503640 6.454760       0.8398290 3.956440       1.027925  5.686903       3.113699  
1 1 1 18 17 18 o 11.46875 2.288151  1.524417       0.6259794 2.237752       0.7849913 0.2785670      1.037411  5.786530       4.576302  
1 1 1 18 17 19 o 10.07668 2.515334  1.053062       0.6019182 1.034335       0.7259125 1.094273       1.076836  -0.6398439     5.030669  
1 1 1 18 17 20 o 21.06279 3.272824  5.713865       1.257488  5.894051       2.334132  5.640182       1.492616  -2.173861      6.545648  
1 1 1 18 17 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18 18 0  o 95.40097 1.590957  90.46812       2.625770  92.75842       5.279250  89.71532       3.026701  0.000000       0.000000  
1 1 1 18 18 1  o 144.6374 1.414276  209.3632       4.049528  208.8841       5.355550  210.0028       6.188025  -0.3625641     2.828552  
1 1 1 18 18 2  o 134.7893 1.329499  181.1219       3.524102  177.8391       4.564502  185.9666       5.545042  -2.986526      2.658998  
1 1 1 18 18 3  o 133.2875 1.261707  177.8492       3.245334  177.8503       4.084704  177.8474       5.344293  0.3912354E-01  2.523415  
1 1 1 18 18 4  o 87.09026 1.077184  76.22556       1.700835  76.66257       2.020000  75.16100       3.152720  0.8921509      2.154368  
1 1 1 18 18 5  f 122.7412 1.406541  150.4385       3.214350  149.6998       3.886154  152.0386       5.719359  -0.8887939     2.813082  
1 1 1 18 18 6  o 75.47247 1.054192  56.11138       1.382421  55.22261       1.592791  58.82512       2.783227  -2.353683      2.108384  
1 1 1 18 18 7  o 20.11455 1.717336  4.101000       0.6185633 4.158309       0.7303663 3.955604       1.163332  0.5261593      3.434672  
1 1 1 18 18 8  f 78.69182 0.9328325 61.73585       1.391388  61.23091       1.709919  62.72541       2.393730  -0.9281769     1.865665  
1 1 1 18 18 9  o 53.50576 1.082111  26.98466       0.9333036 25.91402       1.036762  31.56021       2.143276  -5.229755      2.164223  
1 1 1 18 18 10 o 59.84573 0.9547553 35.88350       1.107815  35.92011       1.404331  35.82319       1.802562  0.1040688      1.909511  
1 1 1 18 18 11 o 57.78432 1.014760  32.91155       1.071879  32.12947       1.271473  34.83269       1.992787  -2.282345      2.029520  
1 1 1 18 18 12 o 81.11006 1.147627  65.59438       1.770503  64.61048       2.180870  67.49639       3.032257  -1.677818      2.295253  
1 1 1 18 18 13 o 36.32761 1.148498  12.61474       0.6686871 12.20708       0.7426412 14.36115       1.537117  -2.850399      2.296995  
1 1 1 18 18 14 o 91.36551 0.9704444 84.29908       1.702622  85.40068       2.136433  82.38158       2.818676  1.772514       1.940889  
1 1 1 18 18 15 o 11.89371 2.244277  1.528322       0.5054471 1.593936       0.5890904 1.345225       0.9840717 0.8083897      4.488554  
1 1 1 18 18 16 o 22.57007 1.459551  5.127192       0.6338298 4.985075       0.7899118 5.384120       1.062085  -0.7705173     2.919103  
1 1 1 18 18 17 o 12.76152 2.348671  1.795635       0.6038047 1.915763       0.7976034 1.634375       0.9241145 1.040709       4.697343  
1 1 1 18 18 18 o 25.22141 1.570245  6.949179       0.7223985 7.577514       0.8863230 5.705750       1.246828  4.023331       3.140490  
1 1 1 18 18 19 o 29.95660 1.460546  9.535661       0.8265381 9.885013       1.027419  8.894821       1.391525  2.051107       2.921092  
1 1 1 18 18 20 o 8.674194 2.822629  -0.5868559     1.201723  -4.033546      2.403419  0.5620748      1.387635  -1.621519      5.645258  
1 1 1 18 19 0  f 112.7084 1.760472  127.3532       3.476359  127.3400       6.815560  127.3578       4.041632  0.000000       0.000000  
1 1 1 18 19 1  f 75.95042 1.094132  59.11924       1.580414  62.67320       1.986554  52.99180       2.608455  6.389519       2.188265  
1 1 1 18 19 2  o 93.40073 1.087590  86.88786       2.022145  83.22848       2.709442  91.48919       3.038202  -4.413246      2.175179  
1 1 1 18 19 3  o 74.75397 1.076535  55.71695       1.530189  55.25436       1.886901  56.60556       2.615211  -0.8841705     2.153070  
1 1 1 18 19 4  f 108.0629 1.301816  115.0387       2.592693  112.2015       3.093835  121.7311       4.751647  -4.355782      2.603631  
1 1 1 18 19 5  o 136.4324 1.353908  186.8059       3.661642  189.6452       4.885364  183.1662       5.531265  2.397369       2.707815  
1 1 1 18 19 6  o 70.05844 0.9435861 48.52194       1.276060  46.93032       1.594626  51.35592       2.127834  -3.143860      1.887172  
1 1 1 18 19 7  o 67.98125 0.9123841 47.10562       1.199074  50.00024       1.539780  42.64562       1.911305  5.420250       1.824768  
1 1 1 18 19 8  o 77.48042 1.081363  58.44222       1.422815  57.02542       1.618438  63.26318       2.985440  -3.974205      2.162726  
1 1 1 18 19 9  o 89.62799 1.567840  80.61283       1.932980  80.62050       2.081197  80.56473       5.215470  0.2420807      3.135681  
1 1 1 18 19 10 o 18.10423 2.611636  4.225048       0.6906269 4.646778       0.7555565 2.082869       1.702855  6.843179       5.223271  
1 1 1 18 19 11 o 72.87854 0.9459139 53.56939       1.352026  55.03707       1.761637  51.46582       2.109014  2.480255       1.891828  
1 1 1 18 19 12 o 71.46781 1.020959  51.23528       1.276180  51.23427       1.481304  51.23819       2.513567  0.1055298      2.041917  
1 1 1 18 19 13 f 33.13293 1.030603  10.71541       0.6328746 10.23661       0.7555104 11.84171       1.158762  -2.364658      2.061207  
1 1 1 18 19 14 f 13.92369 2.192752  2.166878       0.5247340 2.302248       0.5982162 1.715170       1.092763  2.326064       4.385505  
1 1 1 18 19 15 o 42.09333 0.9649564 17.70513       0.7571353 17.49450       0.9149880 18.16256       1.348431  -0.6980286     1.929913  
1 1 1 18 19 16 o 36.13879 1.041422  13.18371       0.7515185 14.08600       1.065820  12.29156       1.059821  2.480938       2.082843  
1 1 1 18 19 17 o 23.57510 1.422672  5.760162       0.6548569 6.095709       0.8550285 5.284062       1.018483  1.812363       2.845344  
1 1 1 18 19 18 o 10.82895 2.365716  1.323762       0.6314673 1.932826       0.8026549 0.3345108      1.022941  4.589193       4.731432  
1 1 1 18 19 19 o 9.692293 2.749141  0.8179869      0.7959655 1.130835       0.9084762 -0.2155978     1.651277  0.9796724      5.498282  
1 1 1 18 19 20 f 15.72616 4.375115  0.000000       0.000000  ?              ?         3.252798       1.425513  ?              ?         
1 1 1 18 20 0  o 98.18958 1.371208  96.61278       2.689714  97.96900       3.778531  95.21961       3.829644  0.000000       0.000000  
1 1 1 18 20 1  o 83.61035 0.9410719 69.86622       1.514309  69.64025       1.897321  70.26276       2.513439  -0.3577652     1.882144  
1 1 1 18 20 2  o 143.9923 2.030773  214.3735       4.892357  220.0226       5.600955  196.1889       10.04902  8.490662       4.061546  
1 1 1 18 20 3  o 121.1576 1.182485  148.2418       2.797918  153.4191       3.623389  140.5957       4.403392  5.315033       2.364969  
1 1 1 18 20 4  o 165.9024 1.708953  275.7536       5.668351  273.1123       7.895589  278.5627       8.142634  -1.631592      3.417906  
1 1 1 18 20 5  o 249.4068 2.234726  625.0727       10.79061  626.7054       13.65594  622.3587       17.60643  1.119904       4.469453  
1 1 1 18 20 6  o 47.34509 1.014811  23.04544       0.8770063 24.00805       1.056896  20.91723       1.571500  3.280197       2.029621  
1 1 1 18 20 7  o 43.85533 1.016247  18.89233       0.8164768 18.37947       0.9692789 20.14528       1.515014  -1.994560      2.032494  
1 1 1 18 20 8  o 64.86162 0.9588123 42.07407       1.150749  42.00989       1.385139  42.21707       2.067469  -0.1344070     1.917625  
1 1 1 18 20 9  o 19.08522 1.834349  3.176743       0.6307904 2.632363       0.7254599 4.863771       1.277096  -5.787195      3.668697  
1 1 1 18 20 10 o 22.23973 1.669701  5.289166       0.6657689 5.787498       0.8059547 4.218547       1.181324  3.568571       3.339402  
1 1 1 18 20 11 o 50.17031 1.066095  25.18162       1.068222  26.68562       1.560853  23.85653       1.465079  2.809319       2.132189  
1 1 1 18 20 12 o 46.59776 1.052153  22.69526       0.8471564 23.67840       0.9888424 19.98290       1.642446  4.041924       2.104305  
1 1 1 18 20 13 o 34.43896 1.035625  12.17634       0.6372538 12.50612       0.7542233 11.35353       1.191346  1.750072       2.071250  
1 1 1 18 20 14 o 70.31178 0.8997992 49.12339       1.172855  48.22150       1.408510  51.16285       2.118075  -1.956802      1.799598  
1 1 1 18 20 15 o 16.67710 2.101607  2.820669       0.5559120 2.749079       0.6226330 3.102026       1.234336  -0.4062996     4.203213  
1 1 1 18 20 16 o 14.62516 2.451133  2.339947       0.7060694 2.352059       0.9730477 2.326477       1.026131  0.1256332      4.902266  
1 1 1 18 20 17 f 12.33370 2.457381  1.691414       0.6431536 2.001469       0.8616564 1.301356       0.9664500 2.359328       4.914761  
1 1 1 18 20 18 o 20.98554 1.624616  4.634051       0.6648684 4.661978       0.8538728 4.591043       1.059622  0.3940983      3.249233  
1 1 1 18 20 19 o 11.39989 2.763212  1.634118       0.8373988 2.147990       0.9248266 -0.7047653     1.973046  4.177623       5.526424  
1 1 1 18 20 20 o 10.50654 4.396441  0.000000       0.000000  ?              ?         1.049017       1.549471  ?              ?         
1 1 1 18 21 0  o 90.87752 1.669437  82.72812       2.838767  83.14532       4.980154  82.52731       3.455027  0.000000       0.000000  
1 1 1 18 21 1  o 86.56160 0.9078307 74.97105       1.571642  75.46504       2.229482  74.48307       2.215856  0.5669022      1.815661  
1 1 1 18 21 2  o 75.58304 0.9650041 57.17173       1.436846  57.19683       1.876700  57.13618       2.233597  0.4890442E-01  1.930008  
1 1 1 18 21 3  o 104.2775 1.247178  108.0586       2.308419  107.1295       2.695529  110.6146       4.470797  -1.613884      2.494356  
1 1 1 18 21 4  o 98.57796 1.091281  96.44915       2.099798  93.65595       2.673030  100.9506       3.393348  -3.677765      2.182562  
1 1 1 18 21 5  o 75.56824 1.211175  57.21465       1.796922  57.36530       2.330488  56.99378       2.821911  0.2642670      2.422351  
1 1 1 18 21 6  o 65.94666 1.055512  43.51849       1.391754  42.85767       1.940354  44.21870       1.997358  -1.029907      2.111024  
1 1 1 18 21 7  o 87.31702 1.000253  76.51112       1.665031  76.95558       2.066511  75.68864       2.811149  0.7521667      2.000506  
1 1 1 18 21 8  o 118.9995 1.189153  141.6488       2.705137  141.1123       3.360304  142.6368       4.559957  -0.5746384     2.378307  
1 1 1 18 21 9  o 46.45541 1.174550  22.13428       0.9082559 22.55364       1.035522  20.73585       1.890986  2.018532       2.349100  
1 1 1 18 21 10 o 59.56823 0.9157066 35.07079       1.020753  34.21496       1.234058  36.92483       1.816357  -2.228996      1.831413  
1 1 1 18 21 11 o 48.06742 1.023172  23.19399       0.9782978 23.34738       1.319143  23.00653       1.458351  0.3694916      2.046344  
1 1 1 18 21 12 o 60.00557 1.009540  36.10487       1.052327  36.06781       1.216894  36.21477       2.095527  -0.1127243E-01 2.019081  
1 1 1 18 21 13 o 19.25964 1.625637  3.857480       0.5421722 3.962699       0.6310977 3.561031       1.059306  1.164246       3.251275  
1 1 1 18 21 14 o 44.36785 0.9356250 19.52929       0.7459634 19.20591       0.8761851 20.38117       1.422088  -1.218266      1.871250  
1 1 1 18 21 15 o 19.02227 1.810491  3.960468       0.5604261 4.159684       0.6491457 3.377414       1.110542  2.536798       3.620982  
1 1 1 18 21 16 f 49.72665 0.9083592 25.46035       0.8705413 27.14594       1.115328  22.83255       1.392589  4.430565       1.816718  
1 1 1 18 21 17 o 22.25599 1.426538  5.073386       0.6237457 5.068279       0.8100998 5.080822       0.9775195 0.7297516E-01  2.853076  
1 1 1 18 21 18 o 16.67127 2.336297  3.773511       0.6909751 4.637278       0.8220115 1.693362       1.275636  8.983022       4.672594  
1 1 1 18 21 19 o 9.448534 2.851823  0.6390951E-01  0.8564399 -0.5221333     0.9923684 1.774402       1.695387  -5.409076      5.703646  
1 1 1 18 21 20 o 7.859757 3.730392  0.000000       0.000000  ?              ?         -0.8608231     1.584540  ?              ?         
1 1 1 18 22 0  o 122.8872 1.978451  151.2827       4.566917  150.9233       5.576923  152.0144       7.957094  0.000000       0.000000  
1 1 1 18 22 1  o 56.26169 0.8227507 31.50917       0.9234332 34.34764       1.363017  29.10096       1.255466  4.660389       1.645501  
1 1 1 18 22 2  o 59.17942 0.9467667 35.15909       1.101280  35.67473       1.436371  34.42363       1.715407  1.064259       1.893533  
1 1 1 18 22 3  o 87.25105 1.083857  76.26523       1.889744  78.69204       2.648714  73.74926       2.696942  2.834007       2.167714  
1 1 1 18 22 4  o 152.3655 1.643917  233.7561       4.528895  235.1839       5.369936  230.2382       8.428708  1.775696       3.287835  
1 1 1 18 22 5  o 201.6190 1.831320  407.9893       7.143054  408.6034       9.026897  406.9608       11.68277  0.5674133      3.662640  
1 1 1 18 22 6  o 54.55479 1.035159  29.65523       1.118664  28.83677       1.474051  30.76681       1.717845  -1.760048      2.070318  
1 1 1 18 22 7  o 39.62727 1.242502  16.03062       0.9523159 17.06386       1.225054  14.45270       1.513900  3.309227       2.485004  
1 1 1 18 22 8  o 57.61591 0.9632282 33.49965       1.023217  33.90959       1.232442  32.59023       1.835651  1.178150       1.926456  
1 1 1 18 22 9  o 28.87471 1.522327  7.287869       0.7480304 6.451069       0.8384250 10.55292       1.656145  -7.018015      3.044654  
1 1 1 18 22 10 o 46.16707 0.9594628 20.69785       0.8237055 19.63443       0.9847127 23.17587       1.503174  -3.787621      1.918926  
1 1 1 18 22 11 o 80.58624 0.9903879 65.26424       1.564559  65.79176       2.025782  64.48447       2.462984  0.8577652      1.980776  
1 1 1 18 22 12 o 18.33069 2.230370  3.839719       0.6323299 4.103576       0.7166300 2.911975       1.343770  3.724575       4.460741  
1 1 1 18 22 13 o 11.90557 2.312587  1.591876       0.5550826 1.811716       0.6557927 1.036420       1.042409  2.423479       4.625174  
1 1 1 18 22 14 o 44.17870 0.9527600 19.33396       0.7875485 18.81158       0.9515987 20.46955       1.403055  -1.780094      1.905520  
1 1 1 18 22 15 o 10.01637 2.398279  0.5988362      0.5250197 0.2234873      0.5974392 1.871637       1.100161  -6.269374      4.796557  
1 1 1 18 22 16 o 22.25138 1.484445  4.657062       0.5697950 4.300223       0.6467419 5.894696       1.204457  -3.286919      2.968891  
1 1 1 18 22 17 o 18.72155 1.942093  3.881571       0.6723568 4.284382       0.8625587 3.257833       1.073344  3.222183       3.884186  
1 1 1 18 22 18 o 27.37951 1.420912  7.841997       0.7712578 8.087866       1.035945  7.536247       1.155225  1.131243       2.841824  
1 1 1 18 22 19 o 10.95427 3.284764  1.095695       1.191856  0.3700356      2.367125  1.342138       1.379474  -0.1136141     6.569528  
1 1 1 18 22 20 o 11.06642 4.578357  0.000000       0.000000  ?              ?         1.554205       1.650937  ?              ?         
1 1 1 18 23 0  o 51.91425 1.204297  27.16028       1.241831  28.54818       1.707069  25.60020       1.809863  0.000000       0.000000  
1 1 1 18 23 1  f 132.4706 1.310427  175.7596       3.440946  175.5544       5.224813  175.9167       4.572609  -0.1618500     2.620853  
1 1 1 18 23 2  o 78.66767 1.034625  61.73890       1.620631  59.90043       2.177907  64.01996       2.425941  -2.610504      2.069251  
1 1 1 18 23 3  o 112.1515 1.139957  125.8558       2.463053  125.6626       3.091712  126.1915       4.075043  -0.2003860     2.279915  
1 1 1 18 23 4  o 83.47325 1.033653  69.20316       1.687739  67.23783       2.157212  72.30447       2.709864  -3.015938      2.067305  
1 1 1 18 23 5  o 87.19254 1.199961  78.08363       1.959650  82.12988       2.419121  70.36040       3.342188  6.786621       2.399921  
1 1 1 18 23 6  o 93.78993 1.039714  87.72090       1.866241  86.88099       2.318072  89.26817       3.146259  -1.239357      2.079429  
1 1 1 18 23 7  o 97.52638 1.068804  93.81664       1.959437  91.14066       2.376765  99.49414       3.461975  -4.224159      2.137607  
1 1 1 18 23 8  o 114.5293 1.391217  128.4392       2.899601  124.1606       3.421458  139.3446       5.462339  -6.446266      2.782434  
1 1 1 18 23 9  o 48.25344 1.081801  23.17405       1.015590  22.61420       1.286962  24.09819       1.653475  -1.503822      2.163602  
1 1 1 18 23 10 o 33.96537 1.203842  11.00294       0.7867038 9.613036       0.9657744 13.74408       1.356277  -6.032021      2.407685  
1 1 1 18 23 11 f 23.12767 1.525137  5.230101       0.6735781 4.877553       0.8248422 5.935808       1.167009  -2.222286      3.050273  
1 1 1 18 23 12 o 60.58005 1.063854  37.28456       1.095310  37.62724       1.256865  36.20273       2.233214  1.356419       2.127708  
1 1 1 18 23 13 o 8.587703 2.312099  0.5602891      0.5501529 0.7934658      0.6600209 0.2948704E-01  0.9958215 0.9523964      4.624198  
1 1 1 18 23 14 o 31.31245 1.265712  9.639945       0.6610574 9.423162       0.7469358 10.42341       1.419973  -1.391392      2.531424  
1 1 1 18 23 15 o 33.90847 1.308834  11.66566       0.8873688 11.87768       1.248781  11.44942       1.261169  0.6362839      2.617669  
1 1 1 18 23 16 o 28.04873 1.222025  8.029839       0.6235591 8.071863       0.7429816 7.929710       1.146835  0.4471722      2.444050  
1 1 1 18 23 17 o 11.50138 2.459393  1.550080       0.6501338 1.990195       0.8176753 0.7936300      1.071983  3.616837       4.918786  
1 1 1 18 23 18 o 26.98854 2.112458  8.150447       1.111705  9.393790       1.511204  6.683983       1.641206  5.229795       4.224916  
1 1 1 18 23 19 o 11.50709 4.709485  0.000000       0.000000  ?              ?         1.487268       1.725801  ?              ?         
1 1 1 18 24 0  o 153.6041 1.968408  236.5670       6.041693  235.4080       8.459273  237.7738       8.631826  0.000000       0.000000  
1 1 1 18 24 1  o 112.6398 1.171243  126.8665       2.611558  128.2135       3.998954  125.8649       3.448485  1.021736       2.342486  
1 1 1 18 24 2  f 91.95640 1.243072  83.92292       2.250654  88.86623       3.549327  80.59857       2.910660  4.469299       2.486144  
1 1 1 18 24 3  f 147.3501 1.563333  217.4595       4.603609  213.6144       6.365259  221.6767       6.666130  -2.719894      3.126665  
1 1 1 18 24 4  o 28.01935 1.462290  7.497357       0.7606811 6.934604       0.9042343 8.859797       1.406957  -3.409834      2.924579  
1 1 1 18 24 5  o 41.41084 1.146389  16.97872       0.8820099 16.65841       1.060875  17.69577       1.587272  -1.229691      2.292778  
1 1 1 18 24 6  o 150.6063 1.640007  228.2118       4.436452  228.9499       5.234165  226.3287       8.360511  1.106262       3.280015  
1 1 1 18 24 7  o 96.41463 1.257067  92.36893       2.213796  91.15311       2.631079  95.31629       4.096516  -2.044052      2.514133  
1 1 1 18 24 8  o 66.25479 0.9905134 44.45311       1.266867  45.88011       1.609191  42.12689       2.054569  2.863518       1.981027  
1 1 1 18 24 9  o 50.05988 0.9990534 24.18724       0.9349938 22.63012       1.120351  27.76037       1.697133  -5.068291      1.998107  
1 1 1 18 24 10 o 60.31817 0.9193064 35.86690       1.035441  34.82545       1.248125  38.16589       1.854425  -2.710045      1.838613  
1 1 1 18 24 11 o 60.43055 0.9449181 36.36600       1.102410  35.61148       1.381655  37.68792       1.828811  -1.661842      1.889836  
1 1 1 18 24 12 o 55.11037 0.9496381 30.12488       1.014663  28.99269       1.275131  32.07927       1.675334  -2.729870      1.899276  
1 1 1 18 24 13 o 13.99423 2.498601  2.168158       0.7248884 2.836410       0.9754026 1.343777       1.083371  4.725802       4.997202  
1 1 1 18 24 14 o 12.53158 2.372809  1.349356       0.6139954 0.6632491      0.7388207 2.881079       1.103909  -7.519571      4.745618  
1 1 1 18 24 15 o 10.72267 2.677944  1.096642       0.6937311 0.9930784      0.8621154 1.286891       1.168483  -1.364695      5.355889  
1 1 1 18 24 16 o 26.48766 1.349419  7.411011       0.6230151 7.710777       0.7306944 6.612791       1.192355  2.299892       2.698838  
1 1 1 18 24 17 o 11.59616 2.572710  1.596883       0.6893125 1.949895       0.8459355 0.8993137      1.189149  2.956197       5.145420  
1 1 1 18 24 18 o 19.49335 2.193826  4.326784       0.7868124 4.456494       0.9820777 4.094304       1.314783  1.830507       4.387651  
1 1 1 18 24 19 o 10.90093 4.616771  0.000000       0.000000  ?              ?         1.115535       1.742873  ?              ?         
1 1 1 18 25 0  o 70.28782 1.841012  49.54545       2.584082  49.54545       2.584082  49.54545       2.584082  0.000000       0.000000  
1 1 1 18 25 1  o 133.3818 1.346594  177.6567       3.533922  175.1605       4.586734  181.3029       5.543571  -2.258759      2.693189  
1 1 1 18 25 2  o 125.2070 1.265952  156.9687       3.141223  157.3486       4.778250  156.6795       4.168612  0.2405472      2.531904  
1 1 1 18 25 3  o 137.6232 1.270646  189.5157       3.494347  185.2983       4.822446  194.1780       5.070376  -3.214783      2.541292  
1 1 1 18 25 4  o 157.7780 1.550153  248.9130       4.814499  245.7854       6.257991  253.4488       7.536265  -2.351166      3.100305  
1 1 1 18 25 5  o 8.989200 2.628215  0.2071352      0.7782349 0.6003950      0.9593185 -0.5498432     1.330959  0.8800926      5.256431  
1 1 1 18 25 6  f 17.54066 2.459835  3.549334       0.7916560 4.331977       0.9826506 2.101937       1.336321  6.445548       4.919670  
1 1 1 18 25 7  o 123.8438 1.676024  152.7252       4.118007  143.4535       5.428332  165.2947       6.320414  -8.719170      3.352048  
1 1 1 18 25 8  o 18.48456 2.193364  3.004628       0.6439590 2.679252       0.7116190 4.475739       1.513135  -4.331949      4.386728  
1 1 1 18 25 9  o 23.08531 3.341087  6.216140       1.331510  4.310201       2.579449  6.908484       1.554652  -6.055357      6.682175  
1 1 1 18 25 10 o 23.51784 1.840647  5.932267       0.7531095 6.343247       0.8896204 4.892815       1.414804  3.197161       3.681295  
1 1 1 18 25 11 o 27.01057 1.385054  6.891011       0.7111916 5.957020       0.8591458 8.924283       1.267633  -5.393736      2.770108  
1 1 1 18 25 12 o 51.47189 0.9509867 26.52642       0.8973054 26.35765       1.071192  26.92342       1.642884  -0.4347725     1.901973  
1 1 1 18 25 13 o 22.07496 1.737409  4.631041       0.6683534 4.311519       0.7634293 5.679536       1.382933  -2.851986      3.474819  
1 1 1 18 25 14 o 26.33740 1.356142  6.767076       0.6375952 6.456017       0.7413443 7.650975       1.249684  -2.075359      2.712285  
1 1 1 18 25 15 o 19.12500 1.881232  3.374029       0.6262898 2.997780       0.7105259 4.684588       1.326082  -3.993923      3.762464  
1 1 1 18 25 16 o 10.03676 2.673638  0.9651204      0.6526147 1.132494       0.7143165 0.1199277      1.605185  0.3534765      5.347276  
1 1 1 18 25 17 o 19.00171 2.473127  3.681924       0.6915948 3.476295       0.7541144 4.770082       1.734764  -1.452312      4.946254  
1 1 1 18 25 18 o 29.89117 2.122417  9.540339       1.157420  8.912789       1.365510  11.14164       2.181259  -2.148518      4.244833  
1 1 1 18 25 19 o 14.06070 4.997941  0.000000       0.000000  ?              ?         3.094172       1.771443  ?              ?         
1 1 1 18 26 0  o 123.8169 2.050709  156.6379       4.904541  142.2184       7.811206  166.0223       6.301559  0.000000       0.000000  
1 1 1 18 26 1  o 52.42949 0.9005031 27.49156       0.9437497 28.10332       1.362049  26.92665       1.308866  1.120373       1.801006  
1 1 1 18 26 2  o 79.54204 1.142336  63.42358       1.793809  62.95322       2.762776  63.76638       2.358565  -0.5288467     2.284673  
1 1 1 18 26 3  o 32.19858 1.170642  10.47509       0.7470536 11.37277       1.020942  9.440493       1.096038  3.004217       2.341284  
1 1 1 18 26 4  o 118.0174 1.199278  139.2526       2.720683  138.4623       3.401612  140.6558       4.532678  -0.8639450     2.398555  
1 1 1 18 26 5  o 69.80125 0.9768438 47.21534       1.272750  44.61013       1.525431  53.18402       2.308931  -6.095543      1.953688  
1 1 1 18 26 6  o 97.73448 1.072858  95.54087       2.021719  95.03984       2.538339  96.41020       3.343488  -0.6450424     2.145716  
1 1 1 18 26 7  o 46.75853 1.098376  21.91265       0.9928337 21.87302       1.252253  21.97972       1.629113  -0.7957840E-01 2.196753  
1 1 1 18 26 8  o 14.29766 2.484609  2.326322       0.6916437 2.697495       0.8151394 1.372124       1.306962  4.108141       4.969218  
1 1 1 18 26 9  o 49.23862 0.9755132 24.01165       0.8995730 23.46929       1.088850  25.17781       1.596618  -1.681496      1.951026  
1 1 1 18 26 10 o 23.51522 1.550529  5.740674       0.6688299 6.012162       0.8107693 5.162401       1.183285  1.881708       3.101057  
1 1 1 18 26 11 o 69.00191 0.9599823 48.41309       1.257964  49.74871       1.564036  45.96605       2.117017  2.836639       1.919965  
1 1 1 18 26 12 o 56.73313 0.9893326 32.83260       1.082224  34.24269       1.377081  30.55509       1.750107  3.326553       1.978665  
1 1 1 18 26 13 o 20.13770 1.862986  3.634801       0.6546143 3.159585       0.7416043 5.311438       1.392984  -5.017630      3.725972  
1 1 1 18 26 14 o 26.88432 1.630152  7.223919       0.7915360 7.002759       0.9306576 7.802244       1.504951  -1.202375      3.260303  
1 1 1 18 26 15 o 7.659232 2.348289  -0.4616237E-01 0.5776234 -0.1678184     0.6644388 0.3302665      1.168772  -2.985484      4.696579  
1 1 1 18 26 16 o 15.07423 2.369885  2.768964       0.6516036 3.088539       0.7679130 1.947127       1.231453  4.270222       4.739770  
1 1 1 18 26 17 o 12.94904 2.377571  2.242708       0.6923155 2.847147       0.8021971 0.4785611      1.370480  6.782742       4.755141  
1 1 1 18 26 18 o 7.935594 2.620914  -0.7357448     1.037648  -0.5323583     1.452373  -0.9478045     1.483017  0.3719988      5.241827  
1 1 1 18 26 19 o 24.83765 3.663689  0.000000       0.000000  ?              ?         7.686121       1.819948  ?              ?         
1 1 1 18 27 0  o 21.23078 2.956747  5.544480       0.9947551 7.679649       1.351907  3.023547       1.468964  0.000000       0.000000  
1 1 1 18 27 1  o 73.35162 1.160820  53.32735       1.566368  55.34213       2.867000  52.47005       1.870154  1.906982       2.321640  
1 1 1 18 27 2  o 97.43951 1.074869  95.20577       2.079868  94.11899       3.123795  96.07121       2.787589  -1.018974      2.149738  
1 1 1 18 27 3  f 92.30739 0.9779006 85.33048       1.805249  85.27083       2.539271  85.39143       2.566970  -0.6386566E-01 1.955801  
1 1 1 18 27 4  o 56.06364 0.9590724 31.67568       1.068599  34.00723       1.468999  29.05534       1.557320  4.421619       1.918145  
1 1 1 18 27 5  o 94.40153 1.227987  89.27595       2.069244  89.16741       2.429009  89.56316       3.951019  -0.9065247E-01 2.455973  
1 1 1 18 27 6  o 77.76526 1.127451  61.60641       1.583638  62.94028       1.884207  58.39703       2.922690  3.012230       2.254903  
1 1 1 18 27 7  o 28.09777 1.488457  8.287211       0.7391663 8.730692       0.8759512 7.190438       1.377530  2.810280       2.976915  
1 1 1 18 27 8  o 54.64500 1.018495  29.68284       1.077000  28.91655       1.352843  31.00896       1.779682  -1.868885      2.036990  
1 1 1 18 27 9  o 15.72578 1.919987  2.575185       0.5737087 2.679520       0.7417465 2.419830       0.9051186 1.133848       3.839974  
1 1 1 18 27 10 o 30.74068 1.388495  9.016356       0.7056391 8.636477       0.7910399 10.49622       1.561297  -2.839611      2.776989  
1 1 1 18 27 11 o 23.18782 1.895734  5.198390       0.7139286 4.998849       0.7961707 6.017310       1.612914  -1.874716      3.791469  
1 1 1 18 27 12 o 37.60525 1.108194  14.44657       0.7558796 14.72631       0.9016292 13.78496       1.386593  1.369640       2.216388  
1 1 1 18 27 13 o 26.05174 1.391948  6.441029       0.6702476 5.789553       0.7909412 8.100528       1.262362  -4.246098      2.783897  
1 1 1 18 27 14 o 21.33791 1.747496  4.441450       0.6543580 4.178556       0.7520168 5.261044       1.327812  -2.162867      3.494992  
1 1 1 18 27 15 o 34.90113 1.167813  11.90675       0.7326707 11.35550       0.8555582 13.42291       1.418887  -2.707733      2.335625  
1 1 1 18 27 16 o 9.424757 2.368033  0.9026567      0.6138674 1.347038       0.7316216 -0.1542783     1.128322  3.010036       4.736065  
1 1 1 18 27 17 o 10.93304 2.580567  1.441829       0.7289703 1.932769       0.8499652 0.7624797E-01  1.417573  3.894514       5.161134  
1 1 1 18 27 18 o 13.52538 3.332579  2.268368       1.086141  1.596037       1.362443  3.440717       1.799101  -4.009849      6.665158  
1 1 1 18 28 0  o 44.45909 1.677226  19.14465       1.340650  18.11072       1.569464  21.93542       2.578517  0.000000       0.000000  
1 1 1 18 28 1  o 117.6747 1.137141  138.7686       2.676148  138.3228       3.765408  139.2236       3.804180  -0.3801498     2.274281  
1 1 1 18 28 2  o 12.48967 2.885628  1.553962       0.8225504 1.070249       1.420374  1.798037       1.008954  -1.311667      5.771256  
1 1 1 18 28 3  o 84.70558 0.9551333 71.87109       1.617820  71.87275       2.266899  71.86935       2.309584  0.4661560E-02  1.910267  
1 1 1 18 28 4  o 131.5664 1.236496  173.5700       3.253278  171.9626       4.560590  175.2354       4.642154  -1.237122      2.472991  
1 1 1 18 28 5  o 98.99359 1.239705  98.71037       2.209090  99.18981       2.611002  97.50261       4.144070  1.003220       2.479411  
1 1 1 18 28 6  o 45.02953 1.081440  20.55346       0.9316608 21.10142       1.167854  19.59431       1.545088  1.712223       2.162880  
1 1 1 18 28 7  o 55.10162 0.9941312 30.05910       1.063938  28.88386       1.340350  32.06088       1.749296  -2.840225      1.988262  
1 1 1 18 28 8  o 40.25590 1.092217  15.82236       0.7987809 15.23376       0.9406586 17.34413       1.512508  -2.547207      2.184434  
1 1 1 18 28 9  o 64.38033 0.9500806 41.10737       1.151652  40.16992       1.401038  43.06047       2.022256  -2.160168      1.900161  
1 1 1 18 28 10 o 41.56079 1.047708  17.23454       0.8094240 17.00231       0.9754533 17.74796       1.450394  -0.8058434     2.095417  
1 1 1 18 28 11 f 43.89766 1.059638  19.17469       0.8526297 18.84615       1.015237  19.96106       1.570669  -1.148045      2.119276  
1 1 1 18 28 12 o 13.55778 2.359967  2.252711       0.6463781 2.757124       0.7543135 0.8587410      1.253965  5.779992       4.719934  
1 1 1 18 28 13 f 11.82622 2.706996  1.472128       0.7230874 1.605776       0.9019281 1.231680       1.209764  0.7614670      5.413992  
1 1 1 18 28 14 f 11.26266 2.583245  1.264537       0.6079260 1.175413       0.7079665 1.514743       1.186220  -1.560710      5.166489  
1 1 1 18 28 15 o 25.17801 1.665633  7.181638       0.6971182 7.772981       0.8122813 5.528404       1.358170  4.928377       3.331266  
1 1 1 18 28 16 o 17.26435 2.151229  3.401039       0.6501133 3.569883       0.7780750 3.010558       1.183254  2.477169       4.302458  
1 1 1 18 28 17 o 35.43624 1.411293  12.97388       0.9272867 12.58340       1.113362  13.85813       1.675413  -1.076538      2.822586  
1 1 1 18 28 18 o 13.50704 4.882124  0.000000       0.000000  ?              ?         2.708960       1.696559  ?              ?         
1 1 1 18 29 0  o 50.43306 1.301608  25.67811       1.302575  26.88204       1.783855  24.30296       1.906494  0.000000       0.000000  
1 1 1 18 29 1  o 21.51929 1.696789  4.691973       0.7189583 4.887690       0.9492365 4.428620       1.101104  1.083370       3.393577  
1 1 1 18 29 2  o 98.98258 1.095033  98.34663       2.157843  96.54731       3.192736  99.85966       2.927754  -1.692490      2.190067  
1 1 1 18 29 3  o 59.90102 0.8855761 35.88176       1.058352  35.15400       1.440940  36.73426       1.559559  -1.311352      1.771152  
1 1 1 18 29 4  o 46.54992 1.107897  21.73976       1.030868  21.57897       1.479906  21.89132       1.436784  -0.3396797     2.215794  
1 1 1 18 29 5  o 26.96869 1.183863  7.333588       0.6355833 6.826879       0.9226733 7.791147       0.8767827 -1.793026      2.367726  
1 1 1 18 29 6  o 45.12540 1.090199  20.50727       0.9533831 20.73381       1.210957  20.13789       1.546261  0.6983376      2.180398  
1 1 1 18 29 7  o 96.43774 1.121443  93.61861       2.138254  95.03046       2.830536  91.74201       3.263331  1.760071       2.242885  
1 1 1 18 29 8  o 77.69044 0.9946017 59.65378       1.451439  57.95662       1.759486  63.26848       2.567798  -3.313103      1.989203  
1 1 1 18 29 9  o 15.19667 2.309621  2.165058       0.6461577 1.614382       0.7707378 3.467585       1.185365  -5.764188      4.619242  
1 1 1 18 29 10 o 6.400595 2.097106  -0.6667380     0.6232774 -0.2376409     0.7353060 -1.761961      1.174740  0.7361126E-01  4.194211  
1 1 1 18 29 11 o 36.50455 1.344921  13.29587       0.8154119 13.15038       0.9222851 13.81676       1.745102  -0.6710205     2.689843  
1 1 1 18 29 12 o 18.57024 1.922666  3.286036       0.6521906 2.940183       0.7624953 4.228764       1.258881  -3.194021      3.845331  
1 1 1 18 29 13 o 18.99723 2.109580  4.001888       0.6760949 4.209216       0.7960855 3.465395       1.280599  2.627081       4.219161  
1 1 1 18 29 14 o 33.52091 1.231895  11.37378       0.7472261 11.30891       0.8845674 11.53541       1.396207  -0.1013222     2.463790  
1 1 1 18 29 15 o 16.56193 2.283344  2.876948       0.6665207 2.665886       0.7773010 3.463170       1.295433  -1.315041      4.566689  
1 1 1 18 29 16 o 19.14621 2.493534  4.360651       0.8015919 4.526492       0.9328788 3.892691       1.567055  3.114697       4.987068  
1 1 1 18 29 17 o 11.57499 2.746543  1.262571       0.8295403 0.1711315      1.064558  2.949792       1.323596  -7.027692      5.493085  
1 1 1 18 29 18 o 9.103460 4.136642  0.000000       0.000000  ?              ?         0.2147857      1.642419  ?              ?         
1 1 1 18 30 0  o 22.06770 2.658817  5.624590       0.9691967 7.032553       1.300468  3.865577       1.453579  0.000000       0.000000  
1 1 1 18 30 1  o 90.91653 0.9738820 82.83714       1.770778  83.39286       2.517141  82.29268       2.491570  0.6029892      1.947764  
1 1 1 18 30 2  o 43.45310 1.049717  18.75354       0.9028217 17.76283       1.181742  20.14240       1.399192  -2.717911      2.099433  
1 1 1 18 30 3  o 92.72544 1.060844  85.91157       1.940827  84.30206       2.533554  88.19757       3.019420  -2.052002      2.121688  
1 1 1 18 30 4  o 37.46429 1.017697  14.06087       0.7619717 13.67895       1.052924  14.48080       1.104076  -1.064919      2.035395  
1 1 1 18 30 5  o 60.81828 1.074201  37.25591       1.239076  36.66985       2.111559  37.56369       1.530238  -0.7996178     2.148401  
1 1 1 18 30 6  o 56.84337 0.9822984 31.97343       1.050356  31.15597       1.275844  33.69280       1.850331  -2.168282      1.964597  
1 1 1 18 30 7  o 36.92158 1.163278  13.75893       0.7970072 13.85976       0.9640095 13.54113       1.416774  0.4988976      2.326556  
1 1 1 18 30 8  o 39.75209 1.101156  15.63487       0.8099572 15.21986       0.9694359 16.59431       1.473988  -1.630974      2.202312  
1 1 1 18 30 9  o 24.17253 1.491183  5.780186       0.6731213 5.546276       0.8098100 6.303041       1.210737  -1.444780      2.982365  
1 1 1 18 30 10 o 28.84914 1.424678  9.026471       0.7403156 10.08595       0.9064516 6.904065       1.282962  5.622662       2.849355  
1 1 1 18 30 11 o 9.911283 2.589548  0.8614920      0.6662936 1.042468       0.8028621 0.4610554      1.194256  0.5581551      5.179096  
1 1 1 18 30 12 o 38.24906 1.282569  15.03760       0.9639528 16.30923       1.286101  13.40747       1.456151  3.855030       2.565137  
1 1 1 18 30 13 o 24.11663 1.527837  5.565484       0.6817731 4.995603       0.8052854 7.007682       1.281063  -3.906633      3.055674  
1 1 1 18 30 14 o 29.60942 1.459376  9.297599       0.7741760 9.679688       0.9231629 8.392019       1.421215  2.521492       2.918752  
1 1 1 18 30 15 o 32.38370 1.341244  10.89857       0.8235171 11.02750       1.019441  10.65642       1.397117  0.9054298      2.682488  
1 1 1 18 30 16 f 12.37461 2.978743  1.441010       0.9068091 0.5077392      1.112700  3.286694       1.564778  -6.885387      5.957485  
1 1 1 18 30 17 o 36.91642 1.514433  14.29576       1.095020  13.54764       1.398851  15.47963       1.759706  -2.082363      3.028867  
1 1 1 18 31 0  o 49.96824 1.292656  24.90113       1.276403  23.56794       1.677736  26.73317       1.966726  0.000000       0.000000  
1 1 1 18 31 1  o 84.47330 1.025220  71.33340       1.707594  70.21107       2.226824  72.93536       2.660420  -1.568825      2.050441  
1 1 1 18 31 2  o 59.13540 0.8782209 35.04433       1.038637  34.66345       1.461550  35.43292       1.476270  -0.6492844     1.756442  
1 1 1 18 31 3  o 45.04086 1.002524  20.37531       0.8950263 20.56456       1.191951  20.13066       1.355227  0.4987373      2.005048  
1 1 1 18 31 4  o 26.56199 1.622821  7.475946       0.8158052 8.722830       1.059424  5.659450       1.278716  5.802578       3.245642  
1 1 1 18 31 5  o 18.77326 1.686382  3.571347       0.6302794 3.914359       0.8843699 3.217290       0.8984975 1.859320       3.372764  
1 1 1 18 31 6  o 20.10473 1.830666  4.009335       0.6643550 3.903654       0.7811365 4.285650       1.263085  -0.8369217     3.661332  
1 1 1 18 31 7  o 13.91437 2.808414  1.553824       0.8281406 0.6930951      0.9889770 3.573621       1.514979  -8.513382      5.616829  
1 1 1 18 31 8  o 9.263245 2.677075  0.3840429      0.7765632 0.4721996      1.003031  0.2521321      1.226951  -0.2620573     5.354151  
1 1 1 18 31 9  o 39.08592 1.110356  15.08008       0.8166454 14.50877       0.9898121 16.29807       1.445241  -2.183136      2.220713  
1 1 1 18 31 10 o 11.47153 2.722439  1.383038       0.7184364 1.667274       0.8127972 0.3676701      1.536221  1.985476       5.444878  
1 1 1 18 31 11 o 27.70217 1.488421  7.956837       0.7724417 8.254387       0.9508116 7.379243       1.324723  1.735710       2.976842  
1 1 1 18 31 12 f 40.07048 1.176752  16.28137       0.8748991 16.26226       1.056427  16.32310       1.560980  0.1431885      2.353504  
1 1 1 18 31 13 o 27.28531 1.608209  8.027600       0.7800495 8.558483       0.9327789 6.792770       1.422600  3.527348       3.216418  
1 1 1 18 31 14 o 18.24179 2.261829  3.734622       0.7315231 3.842590       0.8795678 3.492385       1.317471  1.859947       4.523658  
1 1 1 18 31 15 o 18.33976 2.543319  3.778102       0.8735193 3.376110       1.090948  4.496227       1.458129  -2.275919      5.086638  
1 1 1 18 31 16 o 32.20087 1.581969  10.73263       0.9942933 9.683506       1.253334  12.51405       1.633185  -3.838373      3.163939  
1 1 1 18 31 17 o 15.01706 3.285233  3.203560       1.006935  3.116328       1.144225  3.503039       2.120101  1.189387       6.570467  
1 1 1 18 32 0  o 21.43941 3.161770  4.909443       1.043571  4.698689       1.203749  5.547048       2.093743  0.000000       0.000000  
1 1 1 18 32 1  o 63.79163 0.9567284 40.75808       1.210796  41.17029       1.836584  40.44119       1.610292  0.5486755      1.913457  
1 1 1 18 32 2  f 66.55932 0.8940131 44.40218       1.190019  44.93264       1.694700  43.88618       1.671424  0.7839050      1.788026  
1 1 1 18 32 3  o 66.15405 1.184031  44.05347       1.508268  44.31754       1.895851  43.59817       2.489419  0.6213913      2.368062  
1 1 1 18 32 4  o 11.43117 2.354673  1.332228       0.5776098 1.017409       0.7874908 1.698828       0.8497890 -2.493199      4.709345  
1 1 1 18 32 5  o 51.59608 1.002559  26.71571       1.033317  26.84077       1.500154  26.60282       1.425374  0.2206726      2.005117  
1 1 1 18 32 6  o 38.22552 0.9646231 14.65863       0.7369639 15.24235       1.066039  14.12430       1.019937  1.454788       1.929246  
1 1 1 18 32 7  o 45.43660 1.078490  20.78910       0.9185625 20.82345       1.119454  20.71831       1.607054  0.2117500      2.156980  
1 1 1 18 32 8  o 18.72781 1.960462  3.455744       0.6783982 3.255268       0.8063341 3.941468       1.255103  -1.644932      3.920925  
1 1 1 18 32 9  o 45.80847 1.263901  21.57351       0.9908932 21.94226       1.143422  20.46132       1.985767  1.845612       2.527801  
1 1 1 18 32 10 o 22.20200 1.922641  5.068941       0.8341597 5.046971       1.071291  5.102776       1.329424  0.1372528E-01  3.845282  
1 1 1 18 32 11 o 49.91137 1.402351  24.80120       1.362090  27.57049       2.243742  23.18506       1.714065  4.170441       2.804702  
1 1 1 18 32 12 o 50.96727 1.223287  26.40756       1.245546  27.05903       1.735191  25.71507       1.788977  1.342766       2.446573  
1 1 1 18 32 13 o 32.79136 1.632951  11.23076       1.061413  9.851793       1.530372  12.50894       1.473379  -4.096207      3.265903  
1 1 1 18 32 14 f 27.63111 1.671754  8.243070       0.8888844 8.996671       1.150130  7.125270       1.400741  3.662952       3.343509  
1 1 1 18 32 15 o 16.77487 2.730071  3.260840       0.8708984 2.889834       1.086511  3.927589       1.456546  -2.207666      5.460141  
1 1 1 18 32 16 o 13.46466 3.160991  0.8010616      0.9400475 -0.3036025     1.039968  5.735166       2.197905  -12.55375      6.321981  
1 1 1 18 32 17 o 18.97779 3.008542  5.292814       1.076935  5.866059       1.281643  3.915817       1.986386  7.272326       6.017084  
1 1 1 18 33 0  f 60.53343 1.263397  36.69100       1.519383  35.41595       2.037208  38.28925       2.280837  0.000000       0.000000  
1 1 1 18 33 1  f 69.90402 0.8952514 48.94819       1.250776  47.59074       1.730110  50.43446       1.810345  -2.025162      1.790503  
1 1 1 18 33 2  o 42.54880 1.237791  18.20583       1.052697  19.03382       1.495675  17.39302       1.481896  1.925961       2.475582  
1 1 1 18 33 3  o 44.61106 1.038363  19.98072       0.9263955 19.98088       1.303107  19.98057       1.317250  0.2265930E-02  2.076727  
1 1 1 18 33 4  o 16.70020 2.150845  2.909225       0.6885943 2.793350       1.074602  2.989951       0.8969389 -0.9458961     4.301691  
1 1 1 18 33 5  o 50.98473 0.9120631 26.11168       0.9296051 25.85687       1.331036  26.35433       1.298874  -0.4931564     1.824126  
1 1 1 18 33 6  f 38.41656 0.9984832 14.84722       0.7665533 15.21547       1.071924  14.46180       1.096639  0.9855385      1.996966  
1 1 1 18 33 7  o 16.58291 2.495745  2.656690       0.7248471 2.312140       0.8382891 3.677567       1.442962  -3.625682      4.991490  
1 1 1 18 33 8  o 26.64499 1.736394  7.301525       0.8028082 7.374790       0.9313696 7.089726       1.583551  0.7742271      3.472788  
1 1 1 18 33 9  o 29.88068 1.478691  9.256928       0.8617234 10.14793       1.137388  8.056340       1.320284  3.570101       2.957382  
1 1 1 18 33 10 o 31.60653 1.439090  10.22164       0.8995885 10.67515       1.203378  9.647172       1.354389  1.687374       2.878179  
1 1 1 18 33 11 o 32.61173 1.419812  10.90457       0.9074687 11.08959       1.178250  10.63480       1.422761  0.8259850      2.839623  
1 1 1 18 33 12 o 36.59357 1.252035  13.55908       0.8472673 13.46288       1.018870  13.77472       1.525477  -0.1876259     2.504070  
1 1 1 18 33 13 f 16.19593 2.472202  2.934314       0.7102781 2.921572       0.8285527 2.969633       1.379455  0.9141750      4.944403  
1 1 1 18 33 14 o 9.871741 2.809291  0.8588371      0.7996654 1.199786       0.8625048 -1.228529      2.134106  1.061754       5.618581  
1 1 1 18 33 15 o 9.253708 2.837333  0.4577785      0.8970055 0.6266356      1.031488  -0.6609535E-01 1.816844  -0.6210928     5.674666  
1 1 1 18 33 16 f 17.01433 3.222009  3.782327       1.041180  3.514119       1.227291  4.471008       1.966621  -0.4424782     6.444017  
1 1 1 18 34 0  o 42.81034 1.552294  18.56103       1.320975  17.86152       1.865370  19.26471       1.870924  0.000000       0.000000  
1 1 1 18 34 1  o 74.14936 1.158934  54.91775       1.586734  54.35304       1.903034  56.20579       2.874104  -1.093933      2.317868  
1 1 1 18 34 2  o 63.93893 0.9032041 41.02364       1.154960  41.48518       1.639401  40.56884       1.627386  0.7149200      1.806408  
1 1 1 18 34 3  o 38.98927 1.122659  15.31751       0.8741429 16.11267       1.228423  14.50184       1.244177  2.068836       2.245318  
1 1 1 18 34 4  o 55.30363 0.9099413 30.71932       1.005762  30.80399       1.397627  30.62840       1.448458  0.1672211      1.819883  
1 1 1 18 34 5  o 56.48843 0.9022435 32.05028       1.019264  31.61915       1.432694  32.49212       1.450382  -0.7695427     1.804487  
1 1 1 18 34 6  o 33.89956 1.110455  11.59109       0.7512202 12.51345       1.065027  10.67782       1.059764  2.706207       2.220910  
1 1 1 18 34 7  o 32.16735 1.395591  10.81346       0.8090688 11.31447       0.9686211 9.657173       1.471499  2.723425       2.791182  
1 1 1 18 34 8  o 28.81233 1.721235  8.125661       0.9189091 7.588553       1.092943  9.420982       1.697288  -2.918613      3.442471  
1 1 1 18 34 9  o 30.52245 1.426831  9.286131       0.8004165 9.013337       0.9528062 9.940277       1.475450  -1.307737      2.853662  
1 1 1 18 34 10 o 28.67313 1.571317  8.654366       0.8321258 9.073719       1.015656  7.798119       1.451297  2.462414       3.142635  
1 1 1 18 34 11 o 17.64072 2.370031  3.472765       0.7438231 3.642250       0.8913764 3.084123       1.349805  2.298714       4.740062  
1 1 1 18 34 12 o 8.197582 2.437340  0.1276692      0.7323047 0.7814940      0.8263394 -2.264597      1.580639  1.985673       4.874680  
1 1 1 18 34 13 o 11.22423 2.883567  1.320552       0.7548397 1.334762       0.8583862 1.272086       1.585339  -0.6442003     5.767134  
1 1 1 18 34 14 o 20.75301 2.295718  4.575571       0.8312874 4.229327       0.9684452 5.544868       1.620362  -1.675959      4.591435  
1 1 1 18 34 15 o 9.669681 2.868888  0.7203965      0.9117377 0.6054876      1.152250  0.9128159      1.491058  -1.162312      5.737776  
1 1 1 18 34 16 o 10.56232 2.953739  1.379831       0.9296754 1.542863       1.266447  1.189310       1.369060  0.6902628      5.907477  
1 1 1 18 35 0  o 50.15626 1.866198  24.81200       1.717493  27.60919       3.167389  23.64701       2.044094  0.000000       0.000000  
1 1 1 18 35 1  o 29.58347 1.215143  8.814471       0.7181879 8.261757       1.003905  9.393879       1.027861  -1.908106      2.430285  
1 1 1 18 35 2  o 25.17328 1.503559  6.393724       0.7546223 7.142293       1.095950  5.718865       1.040594  2.812065       3.007118  
1 1 1 18 35 3  o 34.30980 1.268146  12.03759       0.8464720 12.66182       1.095053  11.11085       1.334265  2.317818       2.536293  
1 1 1 18 35 4  o 22.18913 1.577776  5.051310       0.6906248 5.412604       0.9259853 4.598405       1.036757  1.871782       3.155552  
1 1 1 18 35 5  o 24.46685 1.380819  5.986403       0.6718721 6.842216       1.013184  5.314685       0.8976188 3.087969       2.761637  
1 1 1 18 35 6  f 16.69448 1.940672  2.897787       0.6327160 3.047838       0.8843178 2.740407       0.9056548 1.175026       3.881343  
1 1 1 18 35 7  o 24.03279 1.914427  5.710733       0.7951210 5.506577       0.9107640 6.365004       1.630439  -1.448210      3.828854  
1 1 1 18 35 8  o 23.68632 2.125062  5.312766       0.9363532 4.543302       1.106023  7.259593       1.759274  -5.331348      4.250124  
1 1 1 18 35 9  o 29.43307 1.616755  8.517576       0.7930516 8.245446       0.8944460 9.517859       1.714853  -1.751436      3.233511  
1 1 1 18 35 10 o 30.85274 1.826526  10.62019       0.8685192 11.15368       0.9757098 8.584484       1.905962  4.721619       3.653053  
1 1 1 18 35 11 o 32.87400 1.401306  11.24475       0.8404825 11.55628       1.010016  10.54329       1.515603  1.815355       2.802612  
1 1 1 18 35 12 o 9.564787 2.668241  0.7548308      0.7112663 0.7775236      0.8498867 0.7017815      1.299441  -0.8203096     5.336481  
1 1 1 18 35 13 o 8.424495 2.643351  -0.1420912     0.7701110 -0.4042077     0.8878460 0.6542919      1.547574  -3.654110      5.286701  
1 1 1 18 35 14 o 13.93705 3.121716  2.456128       0.9586267 2.120774       1.230500  2.973930       1.529017  -1.967060      6.243433  
1 1 1 18 35 15 o 14.88722 3.070733  2.946420       0.9706357 2.992115       1.351740  2.897778       1.394636  0.3412647      6.141467  
1 1 1 18 36 0  o 14.24308 3.396797  2.924136       0.9257721 3.472508       1.146627  1.897294       1.569048  0.000000       0.000000  
1 1 1 18 36 1  o 47.11451 1.310985  22.64342       1.125879  21.89791       2.054551  22.96338       1.345967  -1.324417      2.621970  
1 1 1 18 36 2  o 62.61494 0.9187511 39.41356       1.150397  38.93354       1.633266  39.88618       1.620623  -0.7632256     1.837502  
1 1 1 18 36 3  o 54.58452 0.9740007 29.82112       1.055340  28.85788       1.399360  31.09151       1.607054  -2.003212      1.948001  
1 1 1 18 36 4  f 42.63993 0.9744338 18.28399       0.8309107 17.91884       1.169168  18.65664       1.181093  -0.8626709     1.948868  
1 1 1 18 36 5  o 20.33237 1.655627  4.207339       0.6726700 4.212971       0.9325421 4.201229       0.9712353 0.4347229E-01  3.311255  
1 1 1 18 36 6  o 37.41076 1.174061  14.41029       0.8525587 15.47865       1.106966  12.85258       1.336653  3.578495       2.348121  
1 1 1 18 36 7  o 10.56224 2.799614  0.8642399      0.8480187 1.487413       1.123628  0.3953888E-01  1.292607  2.892870       5.599229  
1 1 1 18 36 8  o 33.38884 1.425008  11.31951       0.9318581 11.22897       1.200176  11.45696       1.478676  -0.2214622     2.850017  
1 1 1 18 36 9  o 15.83647 2.450908  2.781940       0.7336693 2.948251       0.9034328 2.459833       1.257292  2.055817       4.901816  
1 1 1 18 36 10 o 15.83390 2.546545  2.740264       0.7475030 2.688149       0.9052501 2.851957       1.325247  -0.7916355E-01 5.093091  
1 1 1 18 36 11 o 24.43634 1.881981  6.576975       0.8268426 6.985117       0.9968228 5.676826       1.480366  3.191204       3.763961  
1 1 1 18 36 12 o 10.45173 2.711885  1.120830       0.8114694 1.679165       0.9227355 -0.7845231     1.704581  3.264491       5.423770  
1 1 1 18 36 13 o 18.07346 2.556280  4.159425       0.7939836 4.576270       0.9309409 3.047072       1.520743  5.446700       5.112560  
1 1 1 18 36 14 o 8.390930 2.631830  0.8460374E-01  0.8813094 0.2591383      1.220507  -0.1055438     1.273928  0.4325495      5.263659  
1 1 1 18 36 15 f 11.44822 2.928107  1.705322       0.9383116 2.573535       1.276313  0.6841409      1.384188  4.228370       5.856213  
1 1 1 18 37 0  o 5.908732 2.878129  -0.6325777     0.9525859 -0.5507092     1.127694  -0.8365152     1.779843  0.000000       0.000000  
1 1 1 18 37 1  o 45.59361 0.9930705 20.90894       0.9052020 20.80874       1.261343  21.01534       1.299822  -0.2183762     1.986141  
1 1 1 18 37 2  o 13.51585 2.367719  1.961572       0.6392100 1.697852       0.8981593 2.232241       0.9099145 -1.843226      4.735439  
1 1 1 18 37 3  o 26.04893 1.609627  6.880230       0.8331640 7.054778       1.258061  6.743869       1.111962  0.5434418      3.219253  
1 1 1 18 37 4  o 18.86082 1.769823  3.650494       0.6632036 3.193044       0.9413116 4.101394       0.9345480 -2.410915      3.539645  
1 1 1 18 37 5  o 36.85367 1.131574  13.73142       0.8291591 13.84672       1.116651  13.58971       1.237920  0.3865852      2.263148  
1 1 1 18 37 6  o 36.24852 1.277234  13.28921       0.8882359 13.22797       1.108661  13.39898       1.484290  -0.9973907E-01 2.554469  
1 1 1 18 37 7  o 7.646802 2.310543  -0.3171155     0.6927212 -1.337874      1.001602  0.6188355      0.9590918 -3.221579      4.621086  
1 1 1 18 37 8  o 55.47460 1.121905  31.19398       1.222603  31.27950       1.588383  31.06966       1.915145  0.3224640      2.243809  
1 1 1 18 37 9  o 12.16818 2.814983  1.514465       0.7394825 1.381860       0.8819892 1.828277       1.356809  -1.688795      5.629966  
1 1 1 18 37 10 o 13.88791 2.757641  2.105289       0.7573752 1.846530       0.9173413 2.659340       1.342324  -2.238378      5.515282  
1 1 1 18 37 11 o 10.04218 2.844775  0.8599776      0.7939419 0.9924232      0.9002919 0.3966327      1.683902  -0.3865528     5.689551  
1 1 1 18 37 12 o 30.68819 1.624134  9.755001       0.8804960 9.516558       1.024742  10.42765       1.721138  -0.6248970     3.248267  
1 1 1 18 37 13 o 14.41483 3.168573  2.710868       0.9981330 2.647995       1.289376  2.804889       1.576736  -0.4637241E-01 6.337146  
1 1 1 18 37 14 o 13.18241 2.877814  2.274064       0.9260586 3.287684       1.256920  1.070535       1.369614  5.792955       5.755629  
1 1 1 18 38 0  o 46.06437 1.417509  21.37169       1.276109  20.91666       1.644887  22.05960       2.022440  0.000000       0.000000  
1 1 1 18 38 1  o 51.00529 1.006859  26.21151       1.025519  26.45221       1.415329  25.94546       1.488004  0.5146904      2.013719  
1 1 1 18 38 2  o 31.01128 1.222423  9.741546       0.7559751 10.55570       1.066789  8.920263       1.071447  2.638300       2.444846  
1 1 1 18 38 3  o 35.96541 1.177591  13.10593       0.8413391 13.36057       1.132711  12.79254       1.256571  0.8298607      2.355181  
1 1 1 18 38 4  o 51.60937 0.9546970 26.81765       0.9848780 25.58686       1.376374  28.10910       1.409886  -2.434372      1.909394  
1 1 1 18 38 5  o 13.53811 2.601406  1.926372       0.6757665 2.148184       1.253941  1.835584       0.8022293 0.9839611      5.202812  
1 1 1 18 38 6  f 9.717777 2.496224  0.8298416      0.6444368 0.4411604      0.9406270 1.173666       0.8846859 -1.956099      4.992448  
1 1 1 18 38 7  o 17.54600 2.121937  3.353342       0.7006750 2.889166       1.101675  3.668649       0.9079844 -2.659332      4.243875  
1 1 1 18 38 8  o 26.48950 1.705478  7.172686       0.8561019 7.013975       1.049965  7.487479       1.478712  -0.6039658     3.410955  
1 1 1 18 38 9  f 33.07242 1.468595  11.24313       0.8988610 11.19695       1.083223  11.34526       1.610697  0.1557312      2.937190  
1 1 1 18 38 10 o 37.17244 1.343166  14.11108       0.9746175 13.51813       1.238712  15.07465       1.579071  -1.792305      2.686331  
1 1 1 18 38 11 f 17.84996 3.309606  3.367691       0.8775722 3.142138       0.9342941 5.057888       2.557574  -1.553398      6.619213  
1 1 1 18 38 12 o 8.111864 2.659521  -0.5797744     1.016007  -0.4323275     1.308536  -0.8036072     1.612239  -0.3946633     5.319042  
1 1 1 18 38 13 o 12.85626 3.088889  2.122741       0.9356402 1.963473       1.208160  2.361392       1.478911  -0.8701553     6.177778  
1 1 1 18 38 14 o 20.18068 2.383925  4.852550       0.9262652 3.835245       1.228829  6.191112       1.409565  -5.580906      4.767850  
1 1 1 18 39 0  o 15.51585 3.674173  2.995049       0.9811737 2.464470       1.205583  4.035927       1.688582  0.000000       0.000000  
1 1 1 18 39 1  o 20.79964 1.809280  4.536170       0.7353855 5.151912       0.9904256 3.779639       1.097832  3.353743       3.618559  
1 1 1 18 39 2  o 58.66117 1.011284  34.67542       1.175882  34.53884       1.560964  34.85461       1.787946  -0.2035179     2.022569  
1 1 1 18 39 3  o 38.70084 1.233301  15.15928       0.9246868 15.15750       1.171047  15.16223       1.507008  0.1102333      2.466602  
1 1 1 18 39 4  o 14.49891 2.202307  2.278487       0.6336557 1.638893       0.9155419 2.866560       0.8778924 -4.375831      4.404614  
1 1 1 18 39 5  o 14.28965 2.390920  2.238091       0.6756571 1.874376       0.9368311 2.632357       0.9753813 -2.497331      4.781840  
1 1 1 18 39 6  o 36.31394 1.184016  13.34144       0.8570090 13.76897       1.273241  12.98730       1.158812  1.027531       2.368032  
1 1 1 18 39 7  o 9.999383 2.438540  0.8732658      0.6525813 0.8264870E-01  0.9399255 1.609053       0.9067473 -4.229885      4.877079  
1 1 1 18 39 8  o 29.07169 1.526807  9.067932       0.8156163 7.762237       1.411145  9.722925       0.9994690 -3.665945      3.053615  
1 1 1 18 39 9  o 30.98591 1.607021  10.06981       0.9798840 10.17906       1.282454  9.916553       1.518885  0.6645355      3.214043  
1 1 1 18 39 10 o 16.55327 3.325781  3.539736       1.161674  3.904984       1.463094  2.916729       1.910844  2.986995       6.651562  
1 1 1 18 39 11 o 8.739749 2.767532  -0.9270290E-01 0.9664615 -0.2876862     1.230951  0.2206592      1.560506  -1.595415      5.535065  
1 1 1 18 39 12 o 24.99642 2.354410  7.386989       1.090904  5.251955       1.565439  9.402683       1.521059  -8.681433      4.708819  
1 1 1 18 39 13 o 12.47087 4.573262  0.000000       0.000000  ?              ?         2.189926       1.493375  ?              ?         
1 1 1 18 40 0  o 12.44727 4.029380  2.359374       1.023457  2.456999       1.131919  1.921950       2.395993  0.000000       0.000000  
1 1 1 18 40 1  o 35.67683 1.223569  12.81482       0.8652753 13.49763       1.328377  12.31159       1.140390  1.590065       2.447137  
1 1 1 18 40 2  o 26.03903 1.390253  6.846131       0.7198360 6.370791       0.9573074 7.464559       1.091929  -2.036444      2.780507  
1 1 1 18 40 3  o 47.45166 1.458738  23.26870       1.222465  23.55942       1.432967  22.49146       2.343026  1.607628       2.917476  
1 1 1 18 40 4  o 36.11198 1.113722  13.16061       0.8028063 12.13597       1.101324  14.32240       1.172715  -2.998459      2.227444  
1 1 1 18 40 5  o 14.22870 2.467862  2.233071       0.6959002 2.161356       0.9432497 2.318729       1.030882  -0.4546976     4.935725  
1 1 1 18 40 6  o 25.41832 1.700681  6.522135       0.8496519 7.420192       1.361393  5.949156       1.087428  2.715139       3.401363  
1 1 1 18 40 7  o 26.05367 1.487433  6.998305       0.7744176 7.258956       1.123577  6.762424       1.068855  0.9106464      2.974867  
1 1 1 18 40 8  o 33.13934 1.239158  11.28394       0.8211786 11.02099       1.155466  11.55229       1.167268  -0.7923241     2.478316  
1 1 1 18 40 9  o 24.01273 1.952755  5.973800       0.9378194 5.973800       0.9378194 ?              ?         ?              ?         
1 1 1 18 40 10 o 13.75493 2.924048  2.498333       0.9476854 3.157356       1.142643  1.045976       1.696278  5.283714       5.848096  
1 1 1 18 40 11 o 31.38528 1.894605  10.69460       1.171579  10.30635       1.521795  11.25957       1.835739  -0.9690800     3.789210  
1 1 1 18 40 12 o 14.87067 3.153398  2.945965       1.011678  2.699661       1.387882  3.225219       1.477807  -1.264869      6.306796  
1 1 1 18 41 0  o 26.04371 2.253908  6.725592       1.089011  4.996691       1.360053  9.814444       1.817897  0.000000       0.000000  
1 1 1 18 41 1  o 24.73923 1.625918  6.295513       0.8026336 6.077879       1.161779  6.494241       1.110170  -0.8715820     3.251836  
1 1 1 18 41 2  o 39.63456 1.285888  15.58764       0.9817518 14.60870       1.216934  17.41232       1.661441  -3.328423      2.571776  
1 1 1 18 41 3  o 19.08616 1.949634  3.715213       0.7308090 3.391725       0.9338107 4.226486       1.173966  -2.002647      3.899268  
1 1 1 18 41 4  o 28.32176 1.314266  8.155298       0.7434801 7.644588       1.024546  8.723389       1.080569  -1.875631      2.628532  
1 1 1 18 41 5  o 30.90349 1.330928  9.799593       0.8157445 11.17876       1.150253  8.404077       1.157051  4.492905       2.661856  
1 1 1 18 41 6  o 9.385844 2.588353  0.7245998      0.7009500 0.6114151      1.051910  0.8149973      0.9400761 -0.2432003     5.176707  
1 1 1 18 41 7  o 25.93371 1.501466  7.007853       0.7770061 7.608152       1.107964  6.426902       1.089962  2.259806       3.002932  
1 1 1 18 41 8  o 33.06054 1.314770  11.38683       0.8609043 12.48740       1.181550  10.14131       1.256951  3.613894       2.629539  
1 1 1 18 41 9  o 11.05153 3.146306  1.199549       0.9620686 1.412392       1.056273  0.1634324      2.330505  0.1719790      6.292612  
1 1 1 18 41 10 o 12.16989 3.319670  1.273560       1.076005  0.4747465      1.266709  3.343677       2.039160  -6.011353      6.639340  
1 1 1 18 41 11 o 9.418139 2.828095  0.5562405      0.9465517 0.9548776      1.294304  0.9790541E-01  1.387838  1.284323       5.656190  
1 1 1 18 41 12 o 19.11463 3.940417  4.768224       1.454911  4.768224       1.454911  ?              ?         ?              ?         
1 1 1 18 42 0  o 33.77121 1.866071  12.00290       1.205367  12.65349       1.554673  11.02245       1.908526  0.000000       0.000000  
1 1 1 18 42 1  o 36.07753 1.642170  13.26865       1.050738  13.11992       1.227602  13.67615       2.031997  -0.2783508     3.284341  
1 1 1 18 42 2  o 55.20923 1.062877  30.86697       1.164739  30.97420       1.556456  30.73049       1.755897  0.3014641      2.125754  
1 1 1 18 42 3  o 7.111667 2.320475  -0.7391706     0.7760867 -1.047202      1.133138  -0.4670078     1.065122  -0.5188985     4.640950  
1 1 1 18 42 4  o 32.74153 1.265702  11.01613       0.8227980 10.70688       1.229613  11.26688       1.107213  -0.9396172     2.531403  
1 1 1 18 42 5  o 18.28088 2.110106  3.637952       0.7504057 4.098287       1.074104  3.199037       1.048816  2.689013       4.220211  
1 1 1 18 42 6  o 28.93486 1.382573  8.680804       0.7995099 8.662889       1.151804  8.697465       1.110673  -0.9842491E-01 2.765147  
1 1 1 18 42 7  o 11.90936 2.819343  1.646523       0.7965704 1.869085       1.022462  1.302840       1.270578  1.466082       5.638686  
1 1 1 18 42 8  o 15.30927 2.463268  3.773477       0.9694154 5.058822       1.065120  -2.430066      2.339962  12.94983       4.926537  
1 1 1 18 42 9  o 9.865112 3.172593  -0.4734708E-01 1.140088  -0.3887219     1.295317  1.126379       2.401838  -3.897562      6.345187  
1 1 1 18 42 10 f 9.049014 2.767381  0.3138093      0.9576904 0.9235452      1.258129  -0.5262347     1.476744  1.743694       5.534762  
1 1 1 18 42 11 o 7.840749 2.579349  -0.4188108     0.9819921 -0.5430194     1.428237  -0.3074490     1.352361  -0.9174156E-01 5.158698  
1 1 1 18 43 0  o 15.34659 3.868926  3.387807       1.087449  3.584054       1.426473  3.115513       1.680279  0.000000       0.000000  
1 1 1 18 43 1  o 29.15864 1.675566  8.800757       0.9129556 9.154889       1.616907  8.635018       1.106152  0.4039230      3.351131  
1 1 1 18 43 2  o 23.35317 1.808578  5.688977       0.8350795 6.175635       1.300762  5.347770       1.089171  1.545267       3.617155  
1 1 1 18 43 3  o 16.14240 2.635363  3.056135       0.8353382 3.434266       1.128385  2.597624       1.242542  2.667936       5.270725  
1 1 1 18 43 4  o 32.59671 1.329608  10.91210       0.8591397 13.08796       1.266164  9.055503       1.169588  6.099569       2.659216  
1 1 1 18 43 5  o 15.53126 2.448545  2.776599       0.7444205 2.315227       1.050587  3.241825       1.054966  -2.902621      4.897090  
1 1 1 18 43 6  f 25.24571 1.633085  6.726879       0.8236218 7.172385       1.179784  6.303340       1.150329  1.685394       3.266170  
1 1 1 18 43 7  o 19.57377 2.542134  4.427379       0.9017496 4.422181       1.093709  4.438412       1.593536  1.287321       5.084268  
1 1 1 18 43 8  o 12.32651 2.992812  1.135426       0.9216243 0.4950235E-01  1.094188  3.787021       1.709803  -8.693910      5.985624  
1 1 1 18 43 9  o 25.17732 2.532681  7.876101       1.134155  10.54226       1.552907  4.828229       1.660353  11.88693       5.065362  
1 1 1 18 43 10 o 8.315995 2.695004  -0.1489843     1.012961  -0.3680491     1.516103  0.2766332E-01  1.361433  -0.1375694     5.390008  
1 1 1 18 44 0  o 21.22941 2.965314  5.141716       1.108304  4.216995       1.448382  6.448105       1.721528  0.000000       0.000000  
1 1 1 18 44 1  f 23.55327 1.633807  5.827744       0.7692571 5.593061       1.071805  6.077065       1.104729  -0.9908638     3.267615  
1 1 1 18 44 2  o 16.70075 2.591446  3.636478       0.8492386 1.860546       1.454746  4.554573       1.045966  -8.043863      5.182892  
1 1 1 18 44 3  o 33.67727 1.582509  11.82914       1.054884  12.20279       1.620991  11.55466       1.389324  0.7188072      3.165019  
1 1 1 18 44 4  o 7.621904 2.433517  -0.4549169     0.7936103 -0.9491187     1.049008  0.2064879      1.213557  -2.253962      4.867033  
1 1 1 18 44 5  o 25.37823 1.922389  6.887981       0.9691983 7.660455       1.479089  6.306723       1.283031  2.372694       3.844778  
1 1 1 18 44 6  o 31.15764 1.991794  10.47077       1.059945  10.32166       1.218260  10.93523       2.150133  0.5325642      3.983588  
1 1 1 18 44 7  o 8.669331 2.717153  0.9028589E-01  0.9363741 0.5509634      1.112185  -1.031219      1.735318  0.5909920      5.434306  
1 1 1 18 44 8  o 18.16181 3.105383  4.301203       1.105308  4.237069       1.448259  4.390671       1.710567  0.3428020      6.210765  
1 1 1 18 44 9  o 8.910547 2.802476  0.2983449      1.005488  0.4944602      1.381775  0.7762226E-01  1.465902  0.4387951      5.604953  
1 1 1 18 45 0  o 9.661304 3.753106  1.589030       1.023883  1.537754       1.355116  1.657245       1.563012  0.000000       0.000000  
1 1 1 18 45 1  o 17.83363 2.359550  3.522923       0.8142927 2.570696       1.075201  4.803687       1.246963  -6.200982      4.719100  
1 1 1 18 45 2  o 36.83276 1.329826  13.99489       0.9739373 13.21229       1.296372  15.00897       1.475698  -2.253071      2.659651  
1 1 1 18 45 3  o 34.14825 1.441026  12.06745       0.9711760 11.43771       1.261721  12.98299       1.521319  -1.970333      2.882051  
1 1 1 18 45 4  o 14.78487 2.923887  2.599455       0.8997271 1.936913       1.160758  3.596636       1.424039  -4.382085      5.847773  
1 1 1 18 45 5  o 15.76617 3.500967  3.548304       1.315116  4.484562       1.726593  2.254526       2.029654  5.241115       7.001933  
1 1 1 18 45 6  f 25.78025 2.715100  7.962590       1.386619  7.886199       1.844014  8.061987       2.103448  0.3330498      5.430200  
1 1 1 18 45 7  o 14.73473 3.173863  2.718829       1.061473  4.251900       1.649579  1.635433       1.386709  6.232660       6.347726  
1 1 1 18 45 8  o 10.41789 2.912677  0.6524042      1.073513  2.719328       1.530700  -1.348233      1.505955  6.356950       5.825355  
1 1 1 18 46 0  o 16.02942 3.775814  4.646406       1.358329  5.555839       1.549694  1.631181       2.821764  0.000000       0.000000  
1 1 1 18 46 1  o 12.46057 2.970068  1.909217       0.9082007 1.291865       1.306125  2.487120       1.263705  -3.111193      5.940135  
1 1 1 18 46 2  o 11.95315 2.894607  1.761687       0.8424711 2.000990       1.114616  1.442792       1.286694  1.490456       5.789214  
1 1 1 18 46 3  o 12.97901 3.142129  1.690291       1.085385  3.873111       1.723321  0.2551270      1.397359  7.759017       6.284259  
1 1 1 18 46 4  o 31.34235 3.104290  12.21360       1.265151  12.24527       1.373889  12.03696       3.244742  5.460806       6.208580  
1 1 1 18 46 5  o 33.89494 1.675040  12.73241       1.097611  15.05482       1.486486  9.948092       1.627607  7.763235       3.350080  
1 1 1 18 46 6  o 13.75931 3.211024  2.544301       1.028710  2.930624       1.503348  2.204127       1.410699  1.741665       6.422048  
1 1 1 18 46 7  o 16.06178 2.969242  3.580273       1.092193  5.681656       1.576561  1.641080       1.514497  9.789180       5.938483  
1 1 1 18 47 0  o 8.387054 3.843209  0.6450511      1.319733  0.2631105      1.558355  1.613672       2.481678  0.000000       0.000000  
1 1 1 18 47 1  o 14.03952 3.144945  2.576440       0.9939469 3.176421       1.490415  2.095869       1.333882  2.660954       6.289889  
1 1 1 18 47 2  o 36.98912 1.783383  14.72816       1.292720  19.11802       1.935195  11.19079       1.737161  10.36564       3.566767  
1 1 1 18 47 3  o 23.82100 2.605630  7.047181       1.128606  9.329705       1.554361  4.501967       1.641370  10.62817       5.211260  
1 1 1 18 47 4  f 14.18390 3.215106  2.725803       1.029601  2.716716       1.377090  2.737322       1.550423  0.1791697      6.430213  
1 1 1 18 47 5  o 18.78835 3.430664  4.713803       1.274120  7.395495       2.192271  3.345954       1.565701  7.408965       6.861328  
1 1 1 18 47 6  o 25.63286 3.208326  9.021902       1.602651  8.697737       2.159541  9.419311       2.391087  -0.4071999E-01 6.416653  
1 1 1 18 48 0  o 7.728297 3.663118  0.6304408E-01  1.516678  -0.8459684     2.037474  1.192720       2.271349  0.000000       0.000000  
1 1 1 18 48 1  o 10.62724 3.343539  0.6132891      1.268053  0.4442700E-01  1.482309  2.165528       2.448581  -3.766883      6.687078  
1 1 1 18 48 2  o 9.484949 2.984697  0.2889042      1.239008  1.318238       1.448906  -2.511889      2.390027  2.260419       5.969394  
1 1 1 18 48 3  o 28.04497 2.760123  8.969811       1.548151  8.969811       1.548151  ?              ?         ?              ?         
1 1 1 18 48 4  o 9.898316 4.710358  0.000000       0.000000  ?              ?         -0.3031746     2.541257  ?              ?         
1 1 1 19 0  1  o 118.9138 1.853514  142.2214       4.177960  139.9373       7.110860  143.4256       5.163135  0.000000       0.000000  
1 1 1 19 0  2  o 124.8326 2.219677  155.8263       5.523553  149.9534       7.535712  162.6452       8.119931  0.000000       0.000000  
1 1 1 19 0  3  o 30.52575 1.940545  10.74592       0.9668226 7.285679       1.793817  12.16265       1.147807  0.000000       0.000000  
1 1 1 19 0  4  f 77.61704 1.582559  60.33234       2.454395  60.33234       2.454395  60.33234       2.454395  0.000000       0.000000  
1 1 1 19 0  5  o 73.98923 1.101219  54.80273       1.627423  53.81439       2.266276  55.85503       2.338468  0.000000       0.000000  
1 1 1 19 0  6  o 28.61964 1.410013  8.527451       0.7709289 9.335838       1.001942  7.354351       1.206980  0.000000       0.000000  
1 1 1 19 0  7  o 99.24339 1.943566  98.49734       3.839909  102.8068       5.695550  94.90625       5.199227  0.000000       0.000000  
1 1 1 19 0  8  o 10.00506 3.982340  0.9892344      1.263431  2.356858       1.948797  -0.2375480E-02 1.659410  0.000000       0.000000  
1 1 1 19 0  9  o 76.61040 2.340457  58.91285       3.578696  58.91285       3.578696  58.91285       3.578696  0.000000       0.000000  
1 1 1 19 0  10 o 42.18289 1.920594  16.88257       1.547297  22.70210       2.663244  13.91738       1.901051  0.000000       0.000000  
1 1 1 19 0  11 o 12.05158 3.806701  1.786777       1.309966  -0.6299403     1.976364  3.680433       1.749462  0.000000       0.000000  
1 1 1 19 0  12 o 122.9187 2.342123  150.9678       5.710750  160.2560       8.681425  143.8829       7.582168  0.000000       0.000000  
1 1 1 19 0  13 o 75.59038 2.846936  57.59814       4.290722  57.59814       4.290722  57.59814       4.290722  0.000000       0.000000  
1 1 1 19 0  14 o 56.69653 2.412972  32.45372       2.725443  32.45372       2.725443  32.45372       2.725443  0.000000       0.000000  
1 1 1 19 0  15 o 66.64137 1.810243  44.64372       2.381466  46.46420       3.661668  43.30919       3.135113  0.000000       0.000000  
1 1 1 19 0  16 o 41.89933 2.185579  17.84193       1.797891  19.90359       2.758001  16.31841       2.370884  0.000000       0.000000  
1 1 1 19 0  17 o 8.170359 3.780547  -0.7386224     1.324904  1.635739       2.468069  -1.699852      1.570354  0.000000       0.000000  
1 1 1 19 0  18 o 8.156153 3.895098  -0.4120259     1.502538  0.1157442      2.978097  -0.5922445     1.740269  0.000000       0.000000  
1 1 1 19 0  19 o 13.34053 6.093826  2.803399       1.756755  2.803399       1.756755  2.803399       1.756755  0.000000       0.000000  
1 1 1 19 0  20 o 11.10674 7.117451  1.785239       3.445054  1.785239       3.445054  1.785239       3.445054  0.000000       0.000000  
1 1 1 19 0  21 o 10.07591 6.426546  1.635615       2.780010  1.635615       2.780010  1.635615       2.780010  0.000000       0.000000  
1 1 1 19 0  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 1  0  f 40.84910 1.116424  16.67198       0.9063791 15.59033       1.225078  17.98010       1.347241  0.000000       0.000000  
1 1 1 19 1  1  o 78.41823 0.7958762 61.48973       1.248064  62.46801       1.782430  60.54874       1.748127  1.223488       1.591752  
1 1 1 19 1  2  o 113.4659 1.185141  128.7910       2.689397  128.0663       3.787366  129.5281       3.819604  -0.6437683     2.370282  
1 1 1 19 1  3  o 266.1414 2.459764  707.7350       12.91112  698.4385       16.85705  720.9282       20.08144  -4.138733      4.919529  
1 1 1 19 1  4  o 106.6867 1.262612  113.6589       2.642944  112.7374       3.414030  115.0372       4.175187  -1.065979      2.525224  
1 1 1 19 1  5  o 86.69299 0.8465804 75.14223       1.467138  76.27139       2.113994  74.09299       2.037795  1.255470       1.693161  
1 1 1 19 1  6  o 104.4970 1.121008  108.3699       2.329138  117.2479       3.533370  101.5479       3.097331  7.504562       2.242015  
1 1 1 19 1  7  o 245.3347 2.994592  604.2245       14.68311  618.1357       21.25184  591.5188       20.31026  5.371750       5.989183  
1 1 1 19 1  8  o 144.5934 1.835949  208.3430       5.286720  222.2227       7.932252  197.2501       7.091326  8.598526       3.671898  
1 1 1 19 1  9  o 60.18116 1.553427  36.28019       1.869735  36.39304       2.644802  36.16743       2.643608  0.1874008      3.106855  
1 1 1 19 1  10 o 116.5873 1.552873  136.2001       3.620738  136.2980       5.096958  136.1003       5.144364  0.8696747E-01  3.105746  
1 1 1 19 1  11 o 28.81934 1.763551  8.359254       1.012942  8.871599       1.406001  7.806352       1.460591  1.851433       3.527101  
1 1 1 19 1  12 o 88.83842 1.345205  79.04172       2.389085  81.80712       3.437626  76.45819       3.322659  3.003311       2.690409  
1 1 1 19 1  13 o 120.0770 2.356113  145.6928       5.657655  145.6907       7.941697  145.6951       8.061925  0.1705170E-01  4.712226  
1 1 1 19 1  14 o 74.29306 1.779075  55.72491       2.641767  56.48778       3.686475  54.91961       3.787624  1.073830       3.558150  
1 1 1 19 1  15 o 10.55176 2.971127  0.5522414      0.9671838 1.101908       1.340084  -0.4538124E-01 1.397320  2.127250       5.942254  
1 1 1 19 1  16 f 64.17312 1.321705  41.53643       1.690370  41.08983       2.290699  42.07037       2.504697  -0.7088814     2.643410  
1 1 1 19 1  17 o 9.562941 2.881162  0.7150011E-01  0.9625440 -0.2068473     1.275709  0.4394132      1.466665  -1.711977      5.762324  
1 1 1 19 1  18 o 16.29175 2.916472  2.904375       1.027393  1.352669       1.431934  4.550653       1.474925  -8.350238      5.832944  
1 1 1 19 1  19 o 14.61597 3.527700  2.278658       1.278473  1.391968       1.776925  3.230278       1.840835  -4.024596      7.055399  
1 1 1 19 1  20 f 16.53148 4.091404  3.578138       1.548828  4.059511       3.076585  3.414726       1.792543  0.4839077      8.182809  
1 1 1 19 1  21 o 14.77288 4.106349  2.815690       1.976797  0.2160038      2.749330  5.598109       2.844316  -6.949554      8.212697  
1 1 1 19 1  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 2  0  o 86.83519 1.199338  75.27793       2.076929  72.11652       2.829778  78.96963       3.057912  0.000000       0.000000  
1 1 1 19 2  1  o 169.1632 1.466123  285.9526       4.955286  278.4313       6.825260  294.3362       7.205884  -4.695709      2.932247  
1 1 1 19 2  2  o 16.48337 1.914729  3.057822       0.5611005 1.922908       0.9084337 3.757854       0.7134621 -5.794271      3.829457  
1 1 1 19 2  3  o 88.11372 1.247330  77.11282       2.180233  73.53645       2.877500  81.93330       3.340722  -4.758392      2.494659  
1 1 1 19 2  4  o 51.38082 1.445926  26.40969       1.485857  26.40969       1.485857  ?              ?         ?              ?         
1 1 1 19 2  5  o 122.7756 1.411213  151.7043       3.445413  136.4694       4.954808  165.9679       4.794257  -12.01640      2.822426  
1 1 1 19 2  6  f 49.52092 1.030073  24.36617       0.9512683 24.07432       1.149678  24.99971       1.693909  -0.9256439     2.060145  
1 1 1 19 2  7  o 76.00946 1.197548  57.80677       1.817039  57.62910       2.492137  58.00841       2.654947  -0.2458420     2.395097  
1 1 1 19 2  8  o 101.2929 1.387875  102.5185       2.805902  99.52003       3.826255  106.0069       4.127089  -3.191956      2.775751  
1 1 1 19 2  9  o 117.4191 2.163047  138.3292       5.079343  137.9144       7.139038  138.7545       7.228347  -0.3528061     4.326094  
1 1 1 19 2  10 o 102.1572 1.424377  104.4123       2.907268  101.8939       4.005029  107.2174       4.226935  -2.596207      2.848753  
1 1 1 19 2  11 o 82.36116 1.278056  67.89976       2.103182  67.05289       2.902951  68.83537       3.051286  -1.075600      2.556113  
1 1 1 19 2  12 o 98.45431 1.426409  97.13491       2.806970  95.59216       3.889633  98.81149       4.054828  -1.623840      2.852817  
1 1 1 19 2  13 o 39.66887 2.468191  15.91500       1.954703  15.86382       2.683556  15.97283       2.852951  -0.1093369     4.936383  
1 1 1 19 2  14 o 47.13463 1.848127  22.48576       1.737675  24.16020       2.445271  20.77757       2.469801  3.592930       3.696253  
1 1 1 19 2  15 o 47.16335 1.406695  22.43970       1.324775  23.27494       1.846158  21.55305       1.902123  1.835690       2.813389  
1 1 1 19 2  16 o 27.80825 1.931233  7.847313       1.070270  7.017646       1.456635  8.820743       1.577797  -3.195951      3.862466  
1 1 1 19 2  17 o 18.97184 2.635114  3.889978       0.9723998 4.396303       1.322466  3.294026       1.434748  3.293694       5.270228  
1 1 1 19 2  18 o 10.03158 2.965508  0.2114459      1.018496  -0.4346465     1.393134  0.9532530      1.492764  -2.668872      5.931015  
1 1 1 19 2  19 o 24.16915 2.554599  6.421085       1.135569  6.682430       1.419304  5.956184       1.892987  2.297916       5.109198  
1 1 1 19 2  20 o 13.30936 3.913678  1.507205       1.545255  2.944266       3.004112  0.9901795      1.801916  3.864007       7.827357  
1 1 1 19 2  21 o 13.93483 4.022938  2.713262       1.776144  3.044571       2.521579  2.387019       2.502226  0.9420376      8.045876  
1 1 1 19 2  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 3  0  o 370.8291 5.475441  1386.375       38.42691  1394.696       47.37975  1370.380       65.68822  0.000000       0.000000  
1 1 1 19 3  1  o 62.55041 0.7456195 39.12178       0.9326053 39.61839       1.334480  38.64771       1.303859  0.7756958      1.491239  
1 1 1 19 3  2  o 127.4148 1.393515  161.5340       3.322752  164.9880       5.871115  159.9063       4.030313  1.968163       2.787030  
1 1 1 19 3  3  o 169.9019 1.705013  288.8623       5.792486  285.6195       8.093258  292.2680       8.294057  -1.952713      3.410025  
1 1 1 19 3  4  o 137.8501 1.490766  189.2676       3.858116  187.5614       4.694965  192.8158       6.770535  -1.866867      2.981532  
1 1 1 19 3  5  o 110.5128 1.255516  116.1303       2.457676  135.3679       4.917641  109.7257       2.837440  11.56448       2.511032  
1 1 1 19 3  6  o 55.62282 0.8250851 30.89056       0.9167742 32.10675       1.337083  29.81153       1.259427  2.062176       1.650170  
1 1 1 19 3  7  o 155.7161 1.576575  241.3845       4.889098  257.6932       7.335769  228.3512       6.557894  9.398254       3.153150  
1 1 1 19 3  8  o 19.17253 2.364123  3.588639       0.8701384 2.934192       1.104084  4.661496       1.413628  -4.755457      4.728246  
1 1 1 19 3  9  o 100.3895 1.940017  100.8776       3.889295  98.04469       5.328655  104.1073       5.689663  -3.001724      3.880034  
1 1 1 19 3  10 o 71.27396 1.225609  50.86338       1.739923  50.85170       2.356314  50.87740       2.580135  -0.9811401E-02 2.451218  
1 1 1 19 3  11 o 43.85691 1.412471  19.51608       1.222960  21.57258       1.663905  17.09984       1.803580  5.105980       2.824942  
1 1 1 19 3  12 o 125.8087 1.686698  158.5155       4.233516  153.8600       5.754532  164.0078       6.250346  -3.992683      3.373396  
1 1 1 19 3  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 3  14 o 13.29324 3.501218  1.451118       1.244212  1.714670       1.611175  1.061745       1.958364  0.6164045      7.002435  
1 1 1 19 3  15 o 17.48175 3.007897  3.226972       1.036045  2.837888       1.369151  3.748248       1.584762  -2.408340      6.015793  
1 1 1 19 3  16 o 37.96664 1.561717  14.55465       1.179466  14.06962       1.577141  15.17017       1.776660  -1.386768      3.123435  
1 1 1 19 3  17 o 17.80094 3.518854  3.425525       1.166610  3.604302       2.423087  3.371580       1.331032  0.3932610      7.037707  
1 1 1 19 3  18 o 21.04702 2.400868  4.760755       0.9706588 5.609246       1.362192  3.885520       1.383493  4.415661       4.801736  
1 1 1 19 3  19 o 12.69440 3.270756  1.596267       1.098719  2.047224       1.469471  1.024526       1.654600  1.973786       6.541512  
1 1 1 19 3  20 o 15.69973 3.619375  3.326807       1.563368  0.7073262E-01  2.781119  4.831055       1.890306  -7.749637      7.238750  
1 1 1 19 3  21 o 13.53438 4.009430  1.867548       1.949085  -0.3599425     2.648426  4.499426       2.878808  -5.719587      8.018861  
1 1 1 19 3  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 4  0  o 219.9096 2.676405  483.4198       11.74428  502.8984       17.21730  466.4699       16.06079  0.000000       0.000000  
1 1 1 19 4  1  o 219.5407 1.887707  482.1102       8.283792  472.5446       11.48224  492.4931       11.96262  -4.534149      3.775414  
1 1 1 19 4  2  o 264.6490 2.442735  701.4304       12.79026  703.0659       19.58654  700.2146       16.88824  0.4692688      4.885471  
1 1 1 19 4  3  o 59.95139 0.8034084 36.13329       0.9509113 34.73278       1.451351  37.18670       1.258712  -2.048374      1.606817  
1 1 1 19 4  4  o 29.16157 1.098707  8.523064       0.6394690 8.813905       0.8861448 8.207036       0.9237163 1.041069       2.197414  
1 1 1 19 4  5  o 64.89577 0.9131925 38.92537       1.047097  49.07356       2.135894  35.71482       1.201366  10.28014       1.826385  
1 1 1 19 4  6  o 138.5179 1.603880  191.8768       4.330935  191.1048       5.532052  193.0992       6.960991  -0.6826477     3.207759  
1 1 1 19 4  7  o 26.99664 1.098416  7.299019       0.5900506 8.283477       0.8457650 6.365503       0.8235919 3.551775       2.196833  
1 1 1 19 4  8  o 31.58334 1.448503  9.613231       0.7094640 9.403840       0.7815302 10.59409       1.691500  -1.852877      2.897006  
1 1 1 19 4  9  o 129.8631 2.360259  168.4309       6.108212  179.6308       9.121310  159.3246       8.224728  7.764076       4.720518  
1 1 1 19 4  10 o 154.8849 1.960487  240.5695       6.071424  246.1831       8.706704  235.2560       8.470738  3.513382       3.920974  
1 1 1 19 4  11 o 137.4204 1.777390  189.3917       4.882542  188.2317       6.788939  190.6345       7.027133  -0.8594971     3.554779  
1 1 1 19 4  12 o 35.97256 1.631248  12.65426       1.156687  11.06219       1.489756  15.07081       1.835410  -5.543507      3.262497  
1 1 1 19 4  13 o 77.70473 1.350110  60.66314       2.095964  62.86020       2.935839  58.37928       2.993276  2.888748       2.700220  
1 1 1 19 4  14 o 70.90649 1.748538  50.17881       2.447511  47.50581       3.179419  54.06677       3.834496  -4.506821      3.497077  
1 1 1 19 4  15 o 29.30087 1.838106  8.236534       1.040652  7.035399       1.284588  10.52983       1.774996  -5.843723      3.676212  
1 1 1 19 4  16 o 15.74045 3.068473  2.592096       0.9777032 2.192501       1.238983  3.251610       1.591723  -2.932743      6.136945  
1 1 1 19 4  17 o 33.78040 3.245832  10.57804       1.987370  7.373531       2.352641  18.56190       3.713480  -15.83580      6.491665  
1 1 1 19 4  18 o 11.02042 3.159834  0.7671758      1.067958  1.154664       1.279236  -0.1240030     1.940009  0.6428051      6.319668  
1 1 1 19 4  19 f 21.45540 2.812917  5.140676       1.145457  5.419463       1.476539  4.719307       1.815264  2.367847       5.625834  
1 1 1 19 4  20 o 9.820828 2.948510  0.6929694      0.7945145 -2.315667      2.791667  0.9581427      0.8287884 0.3581085      5.897021  
1 1 1 19 4  21 o 12.54395 3.906037  0.9870884      2.009341  -1.271916      2.785166  3.439063       2.901687  -4.668050      7.812074  
1 1 1 19 4  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 5  0  o 243.8065 2.960742  595.5427       14.42507  603.5063       20.63006  587.9242       20.17771  0.000000       0.000000  
1 1 1 19 5  1  o 253.8371 2.514058  638.9844       12.66187  695.9675       19.43843  596.9870       16.68785  19.42520       5.028116  
1 1 1 19 5  2  o 61.02832 1.083664  36.81245       1.299509  28.09960       1.743396  47.70572       1.949374  -16.06071      2.167328  
1 1 1 19 5  3  o 54.72823 0.9756278 29.72961       1.061206  31.96389       1.612846  28.02388       1.409223  3.597225       1.951256  
1 1 1 19 5  4  o 87.45416 1.085471  76.83595       1.877442  78.81249       2.494722  74.25451       2.851015  2.611107       2.170942  
1 1 1 19 5  5  o 147.5464 1.396194  218.5610       4.093628  211.3113       6.088935  224.5406       5.529888  -4.494553      2.792388  
1 1 1 19 5  6  o 152.2488 1.740011  229.7028       5.129244  241.6594       8.477877  222.7990       6.442043  6.134399       3.480023  
1 1 1 19 5  7  o 57.02579 0.8645572 32.28993       0.9798825 30.50121       1.301533  34.63038       1.488795  -3.617229      1.729114  
1 1 1 19 5  8  o 34.19175 0.9546774 11.73258       0.6508923 12.35710       0.9031385 11.05762       0.9389043 1.901146       1.909355  
1 1 1 19 5  9  o 50.06449 1.301684  23.45621       0.9498922 22.75552       1.027934  27.55227       2.485322  -4.743771      2.603369  
1 1 1 19 5  10 o 117.0650 1.577462  137.3637       3.692724  139.4877       5.206106  135.2131       5.238647  1.827339       3.154924  
1 1 1 19 5  11 o 37.70462 1.490473  13.77914       1.100216  12.09396       1.392514  16.57877       1.794843  -5.926090      2.980947  
1 1 1 19 5  12 o 52.15131 1.336696  27.20837       1.379068  26.86180       1.815680  27.68090       2.120114  -0.7639885     2.673392  
1 1 1 19 5  13 o 29.33630 1.882316  8.662492       1.085631  8.630387       1.410306  8.709185       1.700803  -0.9417534E-01 3.764632  
1 1 1 19 5  14 o 33.74382 2.088766  11.52595       1.383619  11.49151       1.792286  11.57675       2.176733  -0.4231262E-01 4.177532  
1 1 1 19 5  15 o 22.60191 2.375126  5.331558       0.9887825 5.427914       1.223723  5.150324       1.678274  1.085972       4.750253  
1 1 1 19 5  16 o 17.55386 2.986803  3.373259       1.006834  3.425067       1.257496  3.280727       1.680547  0.6070728      5.973606  
1 1 1 19 5  17 o 39.73570 2.842857  15.83896       2.066082  14.67894       2.432554  18.84254       3.914250  -4.205872      5.685714  
1 1 1 19 5  18 o 19.23901 3.358797  4.318150       1.312984  5.399450       1.804158  3.100637       1.914424  5.559879       6.717593  
1 1 1 19 5  19 o 11.46356 2.755138  0.9530722      0.7072733 2.414142       1.394987  0.4475370      0.8205600 6.282763       5.510275  
1 1 1 19 5  20 o 7.324442 2.359628  -0.1827667     0.6107554 -0.4770012     1.427818  -0.1168726     0.6756929 2.165824       4.719257  
1 1 1 19 5  21 o 9.856049 3.339613  -1.447345      1.864482  -1.696985      2.823983  -1.254435      2.482460  0.2642794      6.679227  
1 1 1 19 5  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 6  0  o 325.2063 3.925941  1060.935       25.51765  1064.379       36.22569  1057.542       35.95071  0.000000       0.000000  
1 1 1 19 6  1  o 203.8318 2.286927  400.5161       8.755457  373.4162       10.53065  461.1945       15.75755  -21.40326      4.573855  
1 1 1 19 6  2  o 200.5924 1.782418  403.3819       6.941480  400.2936       11.23912  405.2864       8.826026  -1.293304      3.564836  
1 1 1 19 6  3  o 104.5710 1.109408  109.3602       2.319167  110.5965       3.338452  108.2072       3.224130  1.140808       2.218816  
1 1 1 19 6  4  o 46.89665 0.9573460 22.22597       0.8816046 23.33611       1.159507  20.70484       1.357274  2.807991       1.914692  
1 1 1 19 6  5  o 157.7415 1.592281  247.2843       4.995568  265.7323       7.560626  232.9899       6.655261  10.35687       3.184563  
1 1 1 19 6  6  o 56.80556 0.8966674 33.51339       0.9689010 27.74535       1.556765  37.16037       1.237873  -8.291912      1.793335  
1 1 1 19 6  7  o 124.4949 1.600441  154.3343       3.968525  164.6943       5.948978  146.0273       5.327065  7.476677       3.200883  
1 1 1 19 6  8  o 107.1678 1.156097  114.5174       2.472707  121.9605       3.643946  108.1650       3.366393  6.428284       2.312195  
1 1 1 19 6  9  o 99.67216 1.098830  98.92780       2.184629  106.8617       3.234879  92.27522       2.962167  7.309341       2.197660  
1 1 1 19 6  10 o 162.0248 1.648192  262.0839       5.326032  277.1863       7.900194  249.5009       7.211168  8.507462       3.296384  
1 1 1 19 6  11 o 97.88600 1.408675  96.07589       2.754044  97.40237       3.812166  94.62780       3.983063  1.425911       2.817350  
1 1 1 19 6  12 o 71.85920 1.293482  51.78911       1.837769  51.87754       2.424193  51.66962       2.818041  0.1729584      2.586964  
1 1 1 19 6  13 o 58.79459 1.323001  34.63603       1.519684  34.39487       1.947573  35.01143       2.429898  -0.4745064     2.646001  
1 1 1 19 6  14 o 59.35796 1.319088  35.12305       1.535681  33.98185       1.971926  36.88186       2.448054  -2.376781      2.638176  
1 1 1 19 6  15 o 59.29836 1.295635  35.37701       1.504288  35.30085       1.938327  35.49236       2.385337  -0.8087540E-01 2.591270  
1 1 1 19 6  16 o 15.53251 1.933195  1.540153       0.4727763 4.683992       1.226324  0.9913183      0.5123845 11.68707       3.866390  
1 1 1 19 6  17 o 34.79751 1.796772  10.02155       0.8520547 16.00250       2.567674  9.281448       0.9032357 8.906723       3.593543  
1 1 1 19 6  18 o 18.34567 2.436833  3.959738       0.7760565 2.863218       1.415011  4.431451       0.9280904 -4.890100      4.873666  
1 1 1 19 6  19 o 23.42684 1.637388  5.037302       0.6370171 6.849465       1.441606  4.597608       0.7101054 4.314894       3.274776  
1 1 1 19 6  20 o 27.24539 1.803769  7.475721       0.8947642 8.908100       1.708150  6.934071       1.050404  2.831154       3.607538  
1 1 1 19 6  21 o 10.10118 3.396763  -1.383634      1.920343  -3.134834      2.813623  0.1435103      2.627473  -1.914378      6.793525  
1 1 1 19 6  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 7  0  o 350.8080 4.238022  1234.478       29.70210  1259.302       42.78387  1211.384       41.26738  0.000000       0.000000  
1 1 1 19 7  1  o 189.1633 1.764778  359.1652       6.639107  348.1589       9.842263  368.3547       8.993297  -5.355209      3.529556  
1 1 1 19 7  2  o 52.44466 0.8046458 27.41926       0.8406579 28.49101       1.255059  26.54713       1.132157  1.852077       1.609292  
1 1 1 19 7  3  o 122.8149 1.274487  150.7344       3.127838  146.5217       4.315856  155.3950       4.539474  -3.608757      2.548974  
1 1 1 19 7  4  o 81.68767 0.8952558 66.84636       1.455213  65.75666       2.160425  67.75137       1.968855  -1.223381      1.790512  
1 1 1 19 7  5  o 44.89496 0.8249642 20.17290       0.7385179 20.01109       1.084998  20.31259       1.008083  -0.3367729     1.649928  
1 1 1 19 7  6  o 159.0323 1.717001  250.4917       5.081120  260.9155       9.116240  245.7941       6.119883  4.661896       3.434002  
1 1 1 19 7  7  o 64.63142 1.003921  41.39056       1.245216  40.39308       1.546833  43.22715       2.098933  -2.180561      2.007843  
1 1 1 19 7  8  o 54.14824 1.029712  29.51959       1.107578  27.39643       1.626575  31.35504       1.512357  -3.658287      2.059424  
1 1 1 19 7  9  o 58.18852 0.9208769 32.90702       1.033732  30.44747       1.281039  37.49820       1.750240  -6.046902      1.841754  
1 1 1 19 7  10 o 55.51823 0.9052799 30.71502       0.9806796 30.26247       1.251502  31.43498       1.578525  -1.046417      1.810560  
1 1 1 19 7  11 o 65.38673 1.084960  42.94184       1.409159  41.56111       2.100898  44.07106       1.899926  -1.927368      2.169921  
1 1 1 19 7  12 o 91.14043 1.151757  82.20716       1.980014  86.36889       3.467084  80.19292       2.412039  3.316589       2.303514  
1 1 1 19 7  13 o 28.59593 1.360122  8.076113       0.7109658 8.551619       1.321624  7.882468       0.8433982 1.116011       2.720243  
1 1 1 19 7  14 o 7.635864 2.363213  -0.1535033     0.6322114 -0.1093199     1.160017  -0.1721720     0.7540375 1.850031       4.726426  
1 1 1 19 7  15 o 20.41354 1.716357  4.068645       0.6411667 4.595405       1.205569  3.860886       0.7571226 1.684374       3.432714  
1 1 1 19 7  16 o 23.28850 1.715236  5.467364       0.7738447 5.735156       1.275180  5.311255       0.9736156 0.7991695      3.430472  
1 1 1 19 7  17 o 10.85255 2.848552  1.095154       0.7668280 -0.5618846     1.930090  1.405741       0.8356086 -1.295722      5.697104  
1 1 1 19 7  18 o 8.892084 2.626965  0.3344563      0.6332082 0.4489076      1.475688  0.3086278      0.7010254 2.741339       5.253930  
1 1 1 19 7  19 o 7.104874 2.327885  -0.6973434     0.7604176 -1.161163      1.319392  -0.4666484     0.9305040 0.5837393      4.655770  
1 1 1 19 7  20 o 14.32819 2.839434  1.911584       0.6863437 3.634405       1.661217  1.556968       0.7536774 5.242346       5.678867  
1 1 1 19 7  21 o 12.66658 3.948478  1.680365       1.961545  2.288658       2.760941  1.060385       2.787335  1.289707       7.896956  
1 1 1 19 8  0  o 38.54735 1.312983  14.30664       0.9223778 16.60321       1.741762  13.41158       1.087365  0.000000       0.000000  
1 1 1 19 8  1  o 61.21957 0.7836995 37.00350       0.9386478 39.74378       1.514588  35.29473       1.196021  3.630680       1.567399  
1 1 1 19 8  2  o 186.2048 1.971183  348.8126       6.965353  342.0796       11.84740  352.3692       8.610713  -2.842896      3.942367  
1 1 1 19 8  3  o 131.6743 1.345568  173.4577       3.541943  174.9352       5.095164  172.0760       4.927186  1.082611       2.691137  
1 1 1 19 8  4  o 81.54773 0.8533367 66.79917       1.356349  65.25531       2.164433  67.79747       1.740476  -1.563942      1.706673  
1 1 1 19 8  5  o 132.2470 1.220783  175.0602       3.130830  174.8126       5.092192  175.2106       3.969810  -0.1724243     2.441567  
1 1 1 19 8  6  o 48.05477 0.8949283 22.75903       0.7927248 23.98319       1.451142  22.23833       0.9464185 1.807117       1.789857  
1 1 1 19 8  7  o 54.34702 1.108486  29.69329       1.199329  32.16297       1.670507  27.06620       1.722922  4.690445       2.216972  
1 1 1 19 8  8  o 97.95163 1.225518  95.90375       2.378657  97.09302       3.628777  95.00775       3.149719  1.049728       2.451036  
1 1 1 19 8  9  o 80.51364 1.139073  64.69025       1.816208  66.28802       2.784993  63.50789       2.395743  1.714211       2.278145  
1 1 1 19 8  10 o 111.1193 1.369803  122.1778       2.963617  130.1604       4.839960  117.3896       3.748528  5.697205       2.739606  
1 1 1 19 8  11 o 73.18876 1.120759  53.89246       1.626798  51.47805       2.432912  55.84493       2.187833  -2.993866      2.241519  
1 1 1 19 8  12 o 65.43325 1.112680  42.88819       1.444872  43.08286       2.185571  42.73706       1.925723  0.2460175      2.225360  
1 1 1 19 8  13 o 48.29954 1.094695  23.45858       1.052166  22.75274       1.554754  24.05499       1.429145  -1.360413      2.189390  
1 1 1 19 8  14 o 25.61785 1.596912  6.571450       0.8151070 7.101748       1.219213  6.142868       1.096066  1.850388       3.193825  
1 1 1 19 8  15 o 61.60228 0.9987749 37.82069       1.162577  39.05453       2.019963  37.20953       1.421641  1.399590       1.997550  
1 1 1 19 8  16 o 15.14971 2.380144  2.441832       0.6674772 2.484455       1.174327  2.421490       0.8112676 -0.2106476E-01 4.760287  
1 1 1 19 8  17 o 16.50791 2.764443  2.992394       0.9043895 3.589689       1.295868  2.425217       1.262774  3.333431       5.528887  
1 1 1 19 8  18 o 23.12600 1.900608  4.851057       0.7662233 7.095826       1.631795  4.216125       0.8678469 5.676659       3.801215  
1 1 1 19 8  19 f 13.80931 2.590272  2.157311       0.6731232 2.090223       1.309978  2.181380       0.7846319 -0.6369905     5.180544  
1 1 1 19 8  20 o 12.17421 2.844594  1.107376       0.6875979 3.231862       1.591489  0.6197951      0.7624295 7.511900       5.689189  
1 1 1 19 8  21 o 10.63645 4.993421  -0.3736725     2.722813  -0.3736725     2.722813  ?              ?         ?              ?         
1 1 1 19 9  0  o 18.84433 2.820304  4.577702       0.8037937 2.811886       1.381770  5.480854       0.9881971 0.000000       0.000000  
1 1 1 19 9  1  o 46.96931 0.9882261 21.68626       0.8984191 23.55405       1.495891  20.63238       1.123647  3.105484       1.976452  
1 1 1 19 9  2  o 95.33380 0.9677871 91.22192       1.838869  85.78094       2.659829  96.20354       2.545074  -5.467857      1.935574  
1 1 1 19 9  3  f 51.47755 0.7778947 26.72724       0.7798795 25.49636       1.239033  27.53484       1.003628  -1.982552      1.555789  
1 1 1 19 9  4  o 101.5284 0.9883688 103.5658       1.957421  101.0811       3.116131  105.1852       2.515686  -2.030022      1.976738  
1 1 1 19 9  5  o 36.68104 0.9054717 13.41691       0.6599964 13.82994       0.9978759 13.09573       0.8799573 0.9989662      1.810943  
1 1 1 19 9  6  o 69.31548 1.006962  46.33010       1.330764  53.76344       2.323623  42.70196       1.623364  7.965332       2.013924  
1 1 1 19 9  7  o 63.60661 0.9234522 39.97974       1.099983  41.90287       1.952832  39.08601       1.331266  2.200306       1.846904  
1 1 1 19 9  8  o 96.29565 1.388880  91.77279       2.622614  87.66117       3.358082  98.20215       4.199214  -5.443779      2.777761  
1 1 1 19 9  9  o 105.0024 1.171246  110.3729       2.454784  110.2943       3.366588  110.4620       3.587069  -0.7242584E-01 2.342491  
1 1 1 19 9  10 o 114.0859 1.245785  130.3599       2.838392  130.5722       3.911715  130.1238       4.124952  0.2054291      2.491570  
1 1 1 19 9  11 o 86.93004 1.053765  75.65316       1.829355  81.33081       2.614136  70.20447       2.560885  6.397293       2.107530  
1 1 1 19 9  12 o 88.66423 1.727823  0.000000       0.000000  ?              ?         78.82941       3.063921  ?              ?         
1 1 1 19 9  13 o 19.13804 2.198068  3.831228       0.8048932 3.311269       1.205147  4.249931       1.081455  -2.765795      4.396135  
1 1 1 19 9  14 o 27.62470 1.391193  7.508974       0.7575470 8.681306       1.202193  6.736905       0.9756125 3.483906       2.782387  
1 1 1 19 9  15 o 19.36640 2.119469  3.925018       0.7927268 3.466729       1.156088  4.331722       1.089080  -2.529011      4.238939  
1 1 1 19 9  16 o 23.51010 1.799284  5.603297       0.8434461 6.033157       1.254087  5.248263       1.139723  1.625940       3.598569  
1 1 1 19 9  17 o 9.890534 2.562454  0.4866385      0.6899316 1.704376       1.164415  -0.1721629     0.8564617 5.581040       5.124909  
1 1 1 19 9  18 o 11.49335 2.611458  1.144041       0.6504376 2.192843       1.202084  0.7098508      0.7734432 5.062388       5.222915  
1 1 1 19 9  19 o 31.18708 1.363170  8.651530       0.7567506 13.25946       1.565922  7.247480       0.8643877 9.090879       2.726339  
1 1 1 19 9  20 o 29.93313 2.543653  8.344482       0.8520718 12.84764       3.093330  7.974751       0.8863614 4.148933       5.087306  
1 1 1 19 9  21 o 14.25118 5.732984  3.125704       2.504682  3.125704       2.504682  ?              ?         ?              ?         
1 1 1 19 10 0  o 22.45344 2.229173  5.622145       0.7560685 4.795951       1.511739  5.897736       0.8731092 0.000000       0.000000  
1 1 1 19 10 1  o 138.7834 1.506552  194.3965       3.981836  187.3938       6.692152  198.2343       4.954225  -3.940628      3.013105  
1 1 1 19 10 2  o 25.71782 1.051214  6.615938       0.5400923 6.638567       0.7832002 6.595421       0.7457846 0.8333015E-01  2.102429  
1 1 1 19 10 3  o 61.21679 0.8510664 37.46136       1.038178  37.77226       1.538313  37.20131       1.406884  0.4646950      1.702133  
1 1 1 19 10 4  o 84.40880 0.9115791 71.18953       1.524684  70.65551       2.019713  71.89706       2.324786  -0.7310562     1.823158  
1 1 1 19 10 5  o 74.49426 0.8340111 55.56544       1.215472  55.26387       1.928501  55.76417       1.565569  -0.3412628     1.668022  
1 1 1 19 10 6  o 74.47484 0.8377901 55.33138       1.211709  56.13791       1.971322  54.84162       1.536171  0.8627853      1.675580  
1 1 1 19 10 7  o 68.30774 0.9645844 47.14183       1.284431  44.57285       2.029985  48.85695       1.658671  -3.144836      1.929169  
1 1 1 19 10 8  o 44.58138 1.190820  19.92794       1.048736  20.10768       1.382587  19.68440       1.609390  0.4816475      2.381640  
1 1 1 19 10 9  o 63.51342 1.211947  40.44825       1.367027  40.51701       1.600845  40.26305       2.627027  0.2362747      2.423894  
1 1 1 19 10 10 f 133.5049 1.608827  179.4499       4.166518  181.9150       5.303687  175.4762       6.733781  2.489426       3.217654  
1 1 1 19 10 11 o 76.93439 1.214299  59.50603       1.714209  59.82417       2.053470  58.77468       3.113496  0.7378845      2.428599  
1 1 1 19 10 12 o 35.83781 2.057486  10.93142       0.9082952 10.45788       0.9522300 15.71070       3.025149  -7.063080      4.114972  
1 1 1 19 10 13 o 11.03940 3.062471  0.6843966      0.9260057 0.4819092      1.114030  1.137060       1.665655  -2.877215      6.124941  
1 1 1 19 10 14 o 33.72489 1.253380  11.16613       0.8254203 12.64875       1.350666  10.28234       1.042807  3.461950       2.506760  
1 1 1 19 10 15 o 28.53349 1.377471  8.269316       0.7744813 7.924828       1.188323  8.523697       1.021150  -1.091433      2.754942  
1 1 1 19 10 16 o 24.89411 1.591332  6.194559       0.7783895 6.800683       1.243124  5.803653       0.9983216 1.919483       3.182665  
1 1 1 19 10 17 o 40.45798 1.136268  16.31659       0.8736613 17.25820       1.507582  15.84047       1.072024  1.610600       2.272535  
1 1 1 19 10 18 o 29.43480 1.403250  8.465679       0.7795212 9.966570       1.393272  7.781777       0.9404994 3.482855       2.806500  
1 1 1 19 10 19 o 12.69742 2.638926  1.901650       0.6951903 1.485112       1.304721  2.066791       0.8215201 -1.814548      5.277853  
1 1 1 19 10 20 o 12.05982 2.784913  1.666890       0.7342618 1.889403       1.316597  1.566441       0.8846049 0.9296131      5.569826  
1 1 1 19 10 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 11 0  o 136.0813 1.973644  187.5342       4.735955  181.3462       9.117408  189.8208       5.542329  0.000000       0.000000  
1 1 1 19 11 1  o 97.68054 1.209048  95.40967       2.316061  95.78409       3.656963  95.15892       2.992782  0.3085861      2.418095  
1 1 1 19 11 2  o 162.9078 1.545027  264.2714       4.945934  272.9140       7.811595  258.4884       6.389874  4.395477       3.090055  
1 1 1 19 11 3  o 14.30954 1.901932  2.091493       0.5322721 2.341250       0.7589120 1.849689       0.7467288 1.962847       3.803863  
1 1 1 19 11 4  o 24.63655 1.102199  6.067255       0.5422108 6.566092       0.7793927 5.599398       0.7548020 1.961451       2.204398  
1 1 1 19 11 5  o 135.6928 1.213619  184.2689       3.293553  183.8079       4.645472  184.7347       4.670202  -0.3409424     2.427238  
1 1 1 19 11 6  o 36.19039 0.9638689 12.94689       0.6813771 12.40662       0.8663316 13.82313       1.103302  -1.951836      1.927738  
1 1 1 19 11 7  o 95.87566 1.017849  91.68450       1.933680  94.17397       2.959610  89.83029       2.554228  2.254890       2.035697  
1 1 1 19 11 8  o 22.84202 1.367136  5.293084       0.6115909 4.850893       0.9442508 5.612653       0.8027223 -1.672527      2.734271  
1 1 1 19 11 9  o 72.00614 1.011464  51.53095       1.433040  49.95189       1.853496  53.87767       2.259545  -2.713089      2.022929  
1 1 1 19 11 10 o 117.9165 1.294126  138.9024       3.038069  135.5796       4.084185  143.0188       4.545740  -3.133476      2.588252  
1 1 1 19 11 11 o 46.79459 1.048895  21.84862       0.9441432 21.63432       1.180307  22.22937       1.573270  -0.6157455     2.097790  
1 1 1 19 11 12 o 54.77050 1.235128  30.13755       1.266482  30.23588       1.542011  29.93372       2.220070  0.3309555      2.470256  
1 1 1 19 11 13 o 56.98688 1.388938  32.69010       1.501658  32.54041       2.564221  32.76823       1.852558  -0.2985840     2.777877  
1 1 1 19 11 14 o 45.60976 1.109001  20.77351       1.003325  21.80943       1.534808  20.00046       1.325848  1.953491       2.218002  
1 1 1 19 11 15 o 50.64735 1.076723  25.95362       1.080151  24.60562       1.619923  27.03274       1.449392  -2.429543      2.153446  
1 1 1 19 11 16 o 15.73948 2.397344  2.668715       0.7267050 2.374767       1.176092  2.850256       0.9242574 -1.890791      4.794688  
1 1 1 19 11 17 o 22.31760 1.734367  5.004847       0.7488969 5.481038       1.248706  4.737356       0.9358918 1.511808       3.468733  
1 1 1 19 11 18 o 11.29522 2.484567  1.378920       0.6248273 1.549255       0.8245938 1.149250       0.9575058 1.228402       4.969133  
1 1 1 19 11 19 o 19.03228 1.953144  4.057332       0.6844949 5.270021       0.9450686 2.719233       0.9927335 7.000145       3.906288  
1 1 1 19 11 20 o 16.53364 2.360371  2.785614       0.8128243 5.890514       1.333075  0.9481506      1.025511  13.40187       4.720741  
1 1 1 19 11 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 12 0  o 139.2629 2.501726  194.2556       6.962930  194.2556       6.962930  194.2556       6.962930  0.000000       0.000000  
1 1 1 19 12 1  o 91.75690 0.9092414 84.19891       1.668265  85.38538       2.387898  83.06765       2.331672  1.262222       1.818483  
1 1 1 19 12 2  o 57.96949 1.028531  33.02288       1.158952  36.09071       1.910650  31.23706       1.457754  4.179276       2.057062  
1 1 1 19 12 3  o 246.7408 2.291863  609.6057       11.17192  614.6735       17.22820  605.9282       14.67591  1.676590       4.583726  
1 1 1 19 12 4  o 52.29322 0.8545132 27.14951       0.8814018 28.56476       1.379669  26.17360       1.145673  2.282661       1.709026  
1 1 1 19 12 5  o 112.3559 1.135780  125.5650       2.505792  122.4467       3.230196  130.2771       3.970813  -3.467773      2.271560  
1 1 1 19 12 6  f 10.42342 2.340777  1.016820       0.5605360 0.6582797      0.7573192 1.451220       0.8335941 -2.893280      4.681553  
1 1 1 19 12 7  o 36.13892 0.9788635 13.11736       0.7019015 13.48944       0.9431182 12.65540       1.050880  1.156574       1.957727  
1 1 1 19 12 8  o 102.3549 1.061727  105.1233       2.164215  101.6355       3.180737  108.1300       2.953233  -3.179207      2.123453  
1 1 1 19 12 9  o 99.86466 1.353207  99.81380       2.702752  99.81380       2.702752  ?              ?         ?              ?         
1 1 1 19 12 10 o 75.22216 0.9669723 56.24428       1.384002  55.38173       1.705096  57.90994       2.369482  -1.657166      1.933945  
1 1 1 19 12 11 o 13.92965 2.647846  2.076137       0.7340342 2.253842       0.8967639 1.715338       1.277794  1.489915       5.295691  
1 1 1 19 12 12 o 22.73752 1.709930  5.213008       0.7167284 5.231303       0.8614805 5.171872       1.291830  0.1840248      3.419859  
1 1 1 19 12 13 o 49.59185 1.420364  24.99455       1.342297  23.88003       2.246080  25.61373       1.674144  -1.831490      2.840728  
1 1 1 19 12 14 o 59.36724 0.9681932 35.31525       1.137467  35.01689       1.500541  35.71832       1.744020  -0.5600548     1.936386  
1 1 1 19 12 15 o 32.72052 1.227257  10.66733       0.7700505 10.36080       0.9549553 11.23720       1.302065  -1.257736      2.454513  
1 1 1 19 12 16 o 9.096354 2.452806  0.6338646      0.6066234 0.7340587      0.7502570 0.4446811      1.030933  -0.5465603E-01 4.905613  
1 1 1 19 12 17 o 20.82568 1.551300  4.376679       0.6323969 4.214036       0.8084135 4.633160       1.015180  -0.9155159     3.102600  
1 1 1 19 12 18 o 34.94559 1.190927  12.39352       0.8304076 13.60788       1.196330  11.26440       1.153583  3.332596       2.381854  
1 1 1 19 12 19 o 10.75186 2.497536  1.022651       0.6683633 0.2644542      0.8590431 2.185566       1.063893  -5.834611      4.995071  
1 1 1 19 12 20 o 20.45108 2.653232  5.157977       1.022481  6.781344       1.394727  3.271800       1.503391  8.966521       5.306465  
1 1 1 19 12 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 13 0  o 284.0271 4.883601  809.5371       27.72318  809.5371       27.72318  809.5371       27.72318  0.000000       0.000000  
1 1 1 19 13 1  o 81.42126 1.002841  65.98018       1.628009  62.08948       2.199129  70.69798       2.421625  -5.282875      2.005682  
1 1 1 19 13 2  o 235.0388 2.026020  553.2842       9.521283  561.8499       13.65933  545.1888       13.27898  3.531647       4.052040  
1 1 1 19 13 3  o 146.1710 1.588244  215.5726       4.434263  208.3095       7.409582  219.6252       5.534801  -3.922989      3.176489  
1 1 1 19 13 4  f 19.04652 1.548939  3.651696       0.5868966 3.960249       0.8146402 3.318729       0.8462568 1.685024       3.097877  
1 1 1 19 13 5  o 129.4205 1.176672  167.6054       3.045127  165.8334       4.256978  169.4624       4.357710  -1.399353      2.353344  
1 1 1 19 13 6  o 64.36475 0.8483520 41.46223       1.086461  41.32333       1.619374  41.57593       1.465151  -0.1995239     1.696704  
1 1 1 19 13 7  f 41.46155 0.9917578 17.19820       0.8222236 16.98729       1.148675  17.41981       1.177458  -0.5208588     1.983516  
1 1 1 19 13 8  o 149.6631 1.338541  224.3161       4.006224  223.8277       5.624187  224.8192       5.708056  -0.3279419     2.677083  
1 1 1 19 13 9  o 148.3095 1.637173  218.9508       4.510918  216.3381       5.434574  224.7380       8.088390  -2.688416      3.274346  
1 1 1 19 13 10 o 47.50573 0.8791306 22.33589       0.8231052 21.20438       1.065023  24.01420       1.297074  -2.949310      1.758261  
1 1 1 19 13 11 o 66.68089 1.064263  45.16054       1.290773  46.05140       1.542188  43.07663       2.358690  2.283264       2.128525  
1 1 1 19 13 12 o 87.16487 1.124936  77.45874       1.842151  80.03413       2.268556  72.47271       3.156497  4.420601       2.249872  
1 1 1 19 13 13 o 14.86847 2.243906  2.387846       0.5559435 2.477331       0.6296043 2.071138       1.184461  1.648074       4.487812  
1 1 1 19 13 14 o 86.23851 1.121475  74.48464       1.905163  73.32364       2.479025  76.15959       2.977589  -1.567612      2.242950  
1 1 1 19 13 15 o 74.94480 1.045329  56.62357       1.547959  57.13665       2.042415  55.93105       2.372847  0.8767548      2.090657  
1 1 1 19 13 16 o 10.58235 2.722295  0.9514354      0.7897840 1.495501       1.018455  0.1307044      1.250883  2.783444       5.444591  
1 1 1 19 13 17 o 9.226372 2.621376  0.4816113      0.7462296 0.2364848      1.087457  0.6997671      1.025888  -0.8600779     5.242752  
1 1 1 19 13 18 o 26.98471 1.447633  7.486195       0.7769613 7.950509       1.067868  6.963918       1.132561  1.864365       2.895266  
1 1 1 19 13 19 o 22.84762 2.387968  5.984623       0.8769281 6.135613       1.008089  5.514994       1.777881  2.847769       4.775936  
1 1 1 19 13 20 o 7.391318 2.434758  -0.7107767     0.8831223 -0.9250734     1.329704  -0.5416514     1.181277  0.6935120E-02  4.869517  
1 1 1 19 13 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 14 0  o 11.17932 3.672753  1.481707       0.8207332 2.729787       1.647143  1.069487       0.9466162 0.000000       0.000000  
1 1 1 19 14 1  o 81.13841 1.013068  65.78049       1.642514  67.85986       2.384976  63.90445       2.265367  2.435364       2.026136  
1 1 1 19 14 2  o 158.1143 1.401581  250.2352       4.432000  251.8673       6.304201  248.6401       6.232010  1.018707       2.803161  
1 1 1 19 14 3  o 227.8610 2.121948  521.7596       9.611079  507.9120       14.30274  533.1606       12.97788  -5.593582      4.243895  
1 1 1 19 14 4  o 128.9893 1.269566  165.4226       3.219408  172.4698       5.087567  160.7160       4.157745  4.531578       2.539131  
1 1 1 19 14 5  f 89.00430 1.103788  77.40859       1.824487  74.42228       2.184151  84.30344       3.318768  -5.520271      2.207577  
1 1 1 19 14 6  o 34.91940 1.205428  12.24082       0.8194394 12.35977       1.047896  12.05359       1.314686  0.4464188      2.410856  
1 1 1 19 14 7  o 44.79673 1.033006  20.14508       0.9217573 22.14376       1.299931  18.12393       1.307222  4.486954       2.066013  
1 1 1 19 14 8  o 50.28060 1.077016  25.77301       1.061738  28.56404       1.421104  22.24677       1.597351  6.287834       2.154033  
1 1 1 19 14 9  o 58.15640 0.8438261 33.89857       0.9107830 33.98908       1.100168  33.70144       1.623680  0.2622299      1.687652  
1 1 1 19 14 10 o 87.97295 0.9248575 77.53468       1.553532  77.67805       1.929723  77.27063       2.618897  0.2590942      1.849715  
1 1 1 19 14 11 o 47.94032 0.9591790 21.19742       0.8480465 18.67572       0.9964179 27.82434       1.615292  -9.502800      1.918358  
1 1 1 19 14 12 f 30.70818 1.413686  9.622277       0.7449676 9.762555       0.8598597 9.200046       1.491784  0.9957066      2.827373  
1 1 1 19 14 13 o 20.43451 1.786706  4.391354       0.5929837 4.527610       0.6723898 3.914520       1.257846  1.605959       3.573412  
1 1 1 19 14 14 o 69.84972 1.066853  49.33044       1.464095  50.68786       1.915144  47.42141       2.271170  2.398750       2.133705  
1 1 1 19 14 15 o 40.58389 1.175426  16.01297       0.8926446 15.01039       1.071064  18.29310       1.615232  -3.907169      2.350852  
1 1 1 19 14 16 o 18.28242 2.375965  3.019756       0.7191396 2.615485       0.8051167 4.615112       1.599380  -4.589413      4.751929  
1 1 1 19 14 17 o 10.36944 2.749453  0.9466445      0.7559686 1.100792       0.9238789 0.6343268      1.315059  0.2805347      5.498907  
1 1 1 19 14 18 o 24.44294 1.564850  6.175973       0.7578441 7.051545       1.064722  5.276883       1.078926  3.638702       3.129700  
1 1 1 19 14 19 o 12.99607 2.734410  2.034549       0.7466488 2.208819       0.8858950 1.607176       1.387313  1.901386       5.468820  
1 1 1 19 14 20 o 12.09603 3.200670  1.791703       1.022292  1.899232       1.237294  1.560387       1.814732  0.4869747      6.401341  
1 1 1 19 14 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 15 0  o 96.21410 1.539238  93.63559       2.637451  90.85532       5.001043  94.70680       3.104237  0.000000       0.000000  
1 1 1 19 15 1  o 63.55024 0.8702235 40.38551       1.097458  40.26732       1.462583  40.53780       1.660212  -0.2096100     1.740447  
1 1 1 19 15 2  o 101.9098 1.075290  104.1600       2.174960  105.9619       2.915881  101.9003       3.265429  1.999931       2.150579  
1 1 1 19 15 3  o 111.5222 1.145414  124.1392       2.519315  126.4099       3.918297  122.5390       3.289360  1.720726       2.290828  
1 1 1 19 15 4  o 137.5226 1.246754  188.8445       3.422740  181.9545       4.670840  196.8349       5.030069  -5.399582      2.493508  
1 1 1 19 15 5  o 138.4027 1.349261  191.5457       3.693344  193.5112       5.674543  190.1012       4.864809  1.204376       2.698521  
1 1 1 19 15 6  o 115.2081 1.257905  132.8290       2.897429  131.0201       4.035191  134.7542       4.162963  -1.616478      2.515810  
1 1 1 19 15 7  o 71.76604 1.237961  51.05843       1.764004  47.60355       2.330952  55.68904       2.698586  -5.620331      2.475923  
1 1 1 19 15 8  o 23.71007 1.343126  5.165614       0.5617010 4.707089       0.6432217 6.638420       1.152795  -4.050518      2.686252  
1 1 1 19 15 9  o 115.0024 1.176419  132.3172       2.665911  131.7189       3.480142  133.1670       4.147349  -0.6014557     2.352838  
1 1 1 19 15 10 o 29.96584 1.078289  8.791265       0.5637445 8.587522       0.6498443 9.410959       1.133326  -1.348372      2.156578  
1 1 1 19 15 11 o 79.10262 1.022692  64.19920       1.535132  67.92206       1.923812  57.67344       2.547068  6.519287       2.045385  
1 1 1 19 15 12 o 70.62804 0.9020648 49.77898       1.261524  48.52002       1.660952  51.49537       1.939357  -2.081619      1.804130  
1 1 1 19 15 13 o 64.34811 0.8370397 41.67830       1.065549  42.77617       1.417431  40.25161       1.615809  1.981342       1.674079  
1 1 1 19 15 14 o 81.39982 1.048379  67.28173       1.612976  68.68037       1.991725  64.61648       2.749455  2.638580       2.096757  
1 1 1 19 15 15 o 44.80149 1.195803  20.71972       1.006733  21.75319       1.246579  18.78164       1.707093  3.429344       2.391605  
1 1 1 19 15 16 o 13.27681 2.668604  1.945926       0.7218040 2.080962       0.8743665 1.657017       1.278937  1.211282       5.337208  
1 1 1 19 15 17 o 9.203608 2.644112  0.4560674      0.7734118 0.7702944      1.004718  -0.9306972E-03 1.211657  1.013410       5.288224  
1 1 1 19 15 18 o 9.199411 2.533859  0.3833508      0.7423193 -0.5296310     1.044707  1.314348       1.054964  -4.038968      5.067717  
1 1 1 19 15 19 o 9.278964 2.538986  0.5285732      0.8014211 1.437773       0.9513515 -1.693536      1.487284  3.985826       5.077972  
1 1 1 19 15 20 o 9.681833 3.153682  -0.3742563E-01 1.106162  0.4289546      2.621169  -0.1384823     1.220133  3.286006       6.307363  
1 1 1 19 15 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19 16 0  o 157.5257 2.414914  251.6194       7.321891  238.3932       11.92339  259.6261       9.277077  0.000000       0.000000  
1 1 1 19 16 1  o 97.53812 1.140419  94.38909       2.212686  103.0358       3.348613  87.68771       2.947959  7.858589       2.280838  
1 1 1 19 16 2  o 25.52133 1.339607  6.515034       0.6833237 6.381308       0.9459851 6.660938       0.9881230 -0.5466404     2.679215  
1 1 1 19 16 3  o 57.92130 0.9921536 33.50541       1.147371  36.40043       1.659707  30.85538       1.587926  4.785042       1.984307  
1 1 1 19 16 4  o 87.82477 0.9905029 76.95594       1.718799  75.74403       2.253486  78.64167       2.657725  -1.639565      1.981006  
1 1 1 19 16 5  o 14.80639 2.166780  2.625082       0.5811663 3.193358       0.6967699 1.325875       1.053536  6.103013       4.333560  
1 1 1 19 16 6  o 18.86801 1.900419  3.900468       0.6431847 4.721077       0.8307332 2.672404       1.016258  5.690140       3.800839  
1 1 1 19 16 7  o 39.05067 1.021823  14.76061       0.7475850 13.90484       0.8985373 16.68535       1.347553  -3.546242      2.043646  
1 1 1 19 16 8  o 35.16463 1.270096  11.22709       0.7256951 10.49320       0.8044523 14.43423       1.681678  -5.566692      2.540192  
1 1 1 19 16 9  o 41.40343 1.217905  18.40829       0.8954053 20.24979       1.079309  14.34275       1.603682  7.156944       2.435811  
1 1 1 19 16 10 o 54.86119 0.8623366 29.11999       0.8665828 27.71803       1.024140  32.65416       1.626060  -4.468300      1.724673  
1 1 1 19 16 11 o 38.07554 1.003745  13.99279       0.7356405 12.70383       0.9066388 16.47670       1.258579  -4.927765      2.007489  
1 1 1 19 16 12 o 59.04347 0.9598166 34.95219       1.133326  34.33021       1.594843  35.58669       1.610806  -1.062431      1.919633  
1 1 1 19 16 13 o 27.30010 1.096244  7.045390       0.5679939 6.199598       0.6857217 8.894116       1.013801  -4.888420      2.192488  
1 1 1 19 16 14 o 35.80785 0.9018344 12.49753       0.5723048 12.08258       0.6640271 13.69604       1.128518  -2.177761      1.803669  
1 1 1 19 16 15 o 29.57257 1.196431  8.924468       0.6989366 7.582602       1.011096  10.15248       0.9672520 -4.356234      2.392861  
1 1 1 19 16 16 o 32.56258 1.131515  10.70587       0.7366233 11.03921       1.059031  10.39345       1.025274  0.9805565      2.263031  
1 1 1 19 16 17 o 16.75309 2.499830  3.001083       0.7691922 2.941325       0.9225124 3.137397       1.393301  0.1575336      4.999660  
1 1 1 19 16 18 o 9.489298 2.589626  0.7283449      0.7039756 1.062242       1.027709  0.4331756      0.9662725 1.736866       5.179251  
1 1 1 19 16 19 o 27.28296 1.780281  7.873535       0.9611672 9.588257       1.426128  6.446387       1.301056  5.591684       3.560561  
1 1 1 19 16 20 o 10.99121 3.435485  0.7985843      1.174243  1.606257       2.874550  0.6368140      1.286475  3.109709       6.870969  
1 1 1 19 17 0  o 25.62777 2.021380  6.587103       0.9568967 7.505956       1.696684  6.158518       1.158768  0.000000       0.000000  
1 1 1 19 17 1  o 170.3960 1.511576  290.7493       5.150773  288.8467       7.222235  292.7188       7.347978  -1.131836      3.023152  
1 1 1 19 17 2  o 91.98518 1.021770  84.77398       1.863116  85.44646       2.480766  83.90395       2.821731  0.8469086      2.043541  
1 1 1 19 17 3  o 59.01102 0.9268171 34.69049       1.079568  35.77657       1.678735  33.92460       1.409734  1.562885       1.853634  
1 1 1 19 17 4  o 61.82417 0.9820747 38.43528       1.081334  38.66184       1.269721  37.83712       2.063059  0.6859589      1.964149  
1 1 1 19 17 5  o 59.03727 0.9702706 34.90462       1.142904  35.28438       1.567828  34.47396       1.669587  0.6889191      1.940541  
1 1 1 19 17 6  o 24.75114 1.456851  6.328341       0.6717996 6.712315       0.8275863 5.586453       1.150353  2.287357       2.913702  
1 1 1 19 17 7  o 91.46966 1.008873  83.78038       1.810042  83.92699       2.342344  83.56306       2.851749  0.2154846      2.017747  
1 1 1 19 17 8  f 66.63192 0.8961297 43.86904       1.099977  43.01312       1.313640  45.87721       2.012154  -2.127609      1.792259  
1 1 1 19 17 9  o 61.87356 0.8822250 38.19114       1.010354  37.98055       1.215246  38.66257       1.818243  -0.5279732     1.764450  
1 1 1 19 17 10 o 11.53269 3.032226  0.8239356      0.5901139 0.7516651      0.6172026 1.593459       2.013994  -5.292487      6.064452  
1 1 1 19 17 11 o 24.47622 1.557044  6.082770       0.6069888 6.119731       0.6789107 5.935527       1.355063  0.4649200      3.114089  
1 1 1 19 17 12 o 33.73557 0.9917661 11.56124       0.6053221 11.76692       0.7202569 11.06657       1.116980  1.078304       1.983532  
1 1 1 19 17 13 o 69.40141 0.8895861 48.55784       1.218258  49.94590       1.610374  46.70049       1.862820  2.368073       1.779172  
1 1 1 19 17 14 o 87.96004 0.9955959 77.79774       1.718176  77.79014       2.224146  77.80900       2.705781  0.8386993E-01  1.991192  
1 1 1 19 17 15 o 20.52718 1.878339  4.339053       0.7653347 3.852766       1.103568  4.789655       1.062305  -2.299574      3.756679  
1 1 1 19 17 16 o 15.66749 2.044642  2.391279       0.6096288 1.790049       0.7568059 3.502350       1.028811  -5.523287      4.089284  
1 1 1 19 17 17 o 13.15449 2.412276  1.954295       0.6823803 2.733464       0.9230365 1.015221       1.013335  5.529202       4.824553  
1 1 1 19 17 18 o 17.25811 2.251024  3.331947       0.7459150 4.390719       1.064413  2.310259       1.045605  6.221964       4.502048  
1 1 1 19 17 19 o 11.89523 2.549683  0.6903250      0.5695664 0.1625491      0.6180943 3.660998       1.466416  -10.56032      5.099367  
1 1 1 19 17 20 o 13.62539 4.380213  0.000000       0.000000  ?              ?         2.450041       1.352373  ?              ?         
1 1 1 19 18 0  o 122.3244 1.879891  148.9678       3.982694  152.1700       7.988922  147.9087       4.594317  0.000000       0.000000  
1 1 1 19 18 1  o 97.13029 1.079149  94.61037       2.068100  95.60394       2.718760  93.24599       3.185958  1.226486       2.158298  
1 1 1 19 18 2  o 111.3945 1.079868  123.9825       2.403221  128.5495       3.499650  119.9071       3.305951  3.873909       2.159737  
1 1 1 19 18 3  o 158.7656 1.826026  253.3829       5.714501  257.0694       7.502869  248.2900       8.818701  2.824890       3.652052  
1 1 1 19 18 4  o 99.57217 1.031954  99.35801       1.976773  99.72047       2.479729  98.72606       3.274155  0.5201492      2.063907  
1 1 1 19 18 5  o 13.26405 2.443505  1.880567       0.6384585 2.050360       0.7853957 1.549750       1.096283  1.546712       4.887010  
1 1 1 19 18 6  o 78.42392 1.101281  61.00953       1.572824  60.23390       1.865277  62.91775       2.925740  -1.675758      2.202562  
1 1 1 19 18 7  o 52.50085 1.116252  27.62805       1.076564  27.67718       1.289522  27.51505       1.955719  0.1789017      2.232505  
1 1 1 19 18 8  f 38.56052 1.094434  15.58531       0.7443024 16.47251       0.8815548 13.38279       1.388985  4.026192       2.188867  
1 1 1 19 18 9  o 12.50331 2.222100  1.918604       0.5929229 2.479706       0.6812550 0.1659765      1.204019  6.432409       4.444201  
1 1 1 19 18 10 o 50.01215 1.064630  24.19129       0.9321465 23.31428       1.073396  26.88130       1.879899  -3.510433      2.129260  
1 1 1 19 18 11 o 33.37740 1.075954  11.47093       0.6300133 11.81244       0.7382735 10.55586       1.208493  1.929340       2.151908  
1 1 1 19 18 12 o 14.45967 2.153260  1.740837       0.5399442 1.259364       0.6139804 3.383878       1.134208  -7.027739      4.306520  
1 1 1 19 18 13 o 20.70633 2.731980  4.568263       0.5988788 4.579687       0.6238208 4.433907       2.139308  1.284166       5.463960  
1 1 1 19 18 14 o 48.47289 1.597667  21.67143       0.8262674 21.29668       0.8570795 26.60413       3.109526  -4.770782      3.195333  
1 1 1 19 18 15 o 8.179873 2.487198  0.2768072      0.5340726 0.4297132      0.5619600 -1.150095      1.716684  -1.496733      4.974395  
1 1 1 19 18 16 o 23.09246 1.837539  5.522792       0.8095472 5.619498       1.010337  5.349350       1.353056  0.7698364      3.675078  
1 1 1 19 18 17 o 17.07232 2.252991  3.449579       0.6103051 3.709854       0.6947383 2.569771       1.277318  4.023071       4.505982  
1 1 1 19 18 18 o 8.627163 2.420316  0.5996717      0.5790684 0.7626601      0.6546727 0.1374115E-01  1.241277  0.1208496      4.840632  
1 1 1 19 18 19 o 16.01795 3.045653  3.285841       1.022851  3.944879       1.386499  2.498880       1.515100  4.099621       6.091307  
1 1 1 19 18 20 o 11.54860 4.305412  0.000000       0.000000  ?              ?         1.620677       1.332303  ?              ?         
1 1 1 19 19 0  o 99.03024 1.729275  98.15567       3.245232  98.97718       5.557229  97.73055       3.997683  0.000000       0.000000  
1 1 1 19 19 1  o 71.05005 0.8786973 50.50906       1.248622  50.69093       1.765188  50.32692       1.766448  0.2561874      1.757395  
1 1 1 19 19 2  o 173.3188 1.767839  310.4211       5.871891  340.5899       7.540641  263.9470       9.359120  22.18938       3.535678  
1 1 1 19 19 3  o 75.33617 0.9564329 57.17078       1.425423  59.73095       1.906970  53.92917       2.145805  3.856438       1.912866  
1 1 1 19 19 4  o 64.01332 0.9937224 41.08501       1.269318  42.43092       1.755240  39.60954       1.837776  2.205963       1.987445  
1 1 1 19 19 5  o 165.7841 1.526406  276.0753       4.902259  278.2027       6.217324  272.5790       7.970431  1.775238       3.052812  
1 1 1 19 19 6  o 54.56984 1.051510  31.26153       1.028014  33.37233       1.232886  26.44561       1.862256  6.367363       2.103021  
1 1 1 19 19 7  o 77.14513 1.021699  59.32000       1.562164  57.76013       2.062550  61.41875       2.392441  -2.359451      2.043398  
1 1 1 19 19 8  o 76.94913 0.9416361 59.81942       1.373656  61.03371       1.700858  57.54173       2.329433  2.293907       1.883272  
1 1 1 19 19 9  o 27.33292 1.695792  7.461155       0.7006353 7.435924       0.7698261 7.582896       1.690961  -0.1764908     3.391583  
1 1 1 19 19 10 o 45.97748 1.119450  21.03661       0.8941861 20.87443       1.032310  21.52390       1.789450  -0.6422081     2.238901  
1 1 1 19 19 11 o 63.96330 0.9463667 41.05145       1.198911  41.24860       1.590807  40.79223       1.824058  0.3794937      1.892733  
1 1 1 19 19 12 o 48.30358 0.8964797 23.46848       0.7981595 23.57886       0.9593504 23.22026       1.438625  0.4243050      1.792959  
1 1 1 19 19 13 o 72.26479 0.8816972 52.25727       1.198606  51.91847       1.462556  52.95023       2.091663  -0.6134567     1.763394  
1 1 1 19 19 14 o 39.47528 0.9199219 15.18287       0.6635573 14.52879       0.7837179 16.83892       1.247043  -2.837322      1.839844  
1 1 1 19 19 15 o 22.32288 1.395001  5.008797       0.5383623 4.959884       0.6201436 5.158426       1.084653  -0.2723160     2.790003  
1 1 1 19 19 16 o 24.11486 1.341053  5.955101       0.6391070 6.157828       0.8502681 5.691809       0.9689925 1.023878       2.682106  
1 1 1 19 19 17 o 18.38464 1.616554  3.533051       0.5756049 3.741023       0.7419707 3.218700       0.9122028 1.524784       3.233109  
1 1 1 19 19 18 o 15.65516 2.058405  2.697357       0.5975465 2.720548       0.7396392 2.653777       1.013934  0.8771877      4.116809  
1 1 1 19 19 19 o 13.81561 3.180701  2.424629       0.9816200 2.206668       1.234535  2.799335       1.618673  -1.201920      6.361403  
1 1 1 19 19 20 o 13.47916 4.507015  0.000000       0.000000  ?              ?         2.549003       1.429207  ?              ?         
1 1 1 19 20 0  o 11.50576 3.850178  1.993092       1.017587  1.304431       1.934515  2.256532       1.196493  0.000000       0.000000  
1 1 1 19 20 1  o 81.27312 0.9331188 65.60947       1.455580  64.40702       1.810773  67.80536       2.447015  -2.075493      1.866238  
1 1 1 19 20 2  o 104.7410 1.194154  112.9754       2.369334  120.8187       2.974023  99.34814       3.920105  10.27834       2.388309  
1 1 1 19 20 3  o 16.19474 2.190925  2.501554       0.6446522 2.114537       0.7709211 3.401366       1.175496  -3.836779      4.381851  
1 1 1 19 20 4  o 84.33847 1.012317  70.56053       1.668480  68.35283       2.127580  74.08699       2.688975  -3.382713      2.024634  
1 1 1 19 20 5  o 99.24105 1.184470  98.61491       2.350936  98.90374       3.320223  98.32452       3.329246  0.2921600      2.368941  
1 1 1 19 20 6  o 81.30281 0.9594764 65.97902       1.478922  65.59511       1.818944  66.72787       2.540357  -0.6732864     1.918953  
1 1 1 19 20 7  o 80.68160 1.004058  65.28448       1.593032  65.82717       2.076450  64.50810       2.483602  0.8329773      2.008116  
1 1 1 19 20 8  o 84.63464 1.153238  70.43986       1.665596  69.25696       1.902105  74.32896       3.448939  -2.907143      2.306476  
1 1 1 19 20 9  o 19.66115 2.311208  3.964303       0.7805964 3.954589       0.9120637 3.990900       1.509239  0.3532791      4.622416  
1 1 1 19 20 10 o 67.86473 0.9033513 45.98066       1.152031  45.65035       1.403883  46.66169       2.015808  -0.6947403     1.806703  
1 1 1 19 20 11 o 101.6585 1.053706  104.1125       2.064036  105.3071       2.600405  102.0783       3.393334  1.675339       2.107412  
1 1 1 19 20 12 o 40.69556 0.9268845 16.01657       0.6829433 15.26489       0.8007247 18.02284       1.308161  -3.327141      1.853769  
1 1 1 19 20 13 o 11.15877 2.263752  1.402109       0.5263769 1.646307       0.6130556 0.7170377      1.026825  2.696060       4.527504  
1 1 1 19 20 14 o 34.95851 0.9910545 11.76385       0.6190656 11.16182       0.7191770 13.48600       1.216363  -3.217983      1.982109  
1 1 1 19 20 15 o 21.05511 1.532439  4.843917       0.5601088 5.260985       0.6648585 3.824214       1.039593  3.566561       3.064878  
1 1 1 19 20 16 o 47.81886 0.8866885 23.02910       0.8335923 22.92448       1.082694  23.18139       1.306294  -0.1962929     1.773377  
1 1 1 19 20 17 o 35.65987 1.032983  13.04374       0.7237359 13.75943       0.9553881 12.07997       1.108665  2.432968       2.065967  
1 1 1 19 20 18 o 9.886219 2.360748  0.7792844      0.5950592 0.1139458      0.7549145 1.871003       0.9670116 -5.594432      4.721496  
1 1 1 19 20 19 o 11.86006 3.542657  1.408738       1.418161  1.737200       2.255697  1.194048       1.823659  1.182909       7.085314  
1 1 1 19 20 20 o 15.58748 5.074926  0.000000       0.000000  ?              ?         3.854663       1.812075  ?              ?         
1 1 1 19 21 0  o 64.63323 1.553248  42.77633       1.881086  39.49959       3.208116  44.49316       2.322166  0.000000       0.000000  
1 1 1 19 21 1  o 89.97987 1.121311  80.20245       1.814880  79.14440       2.134229  82.96582       3.449105  -2.083580      2.242623  
1 1 1 19 21 2  o 57.80081 0.9038762 33.22380       0.9990841 32.73540       1.238265  34.13479       1.691164  -1.198944      1.807752  
1 1 1 19 21 3  o 37.43504 1.425546  14.64366       0.9379249 15.38653       1.106740  12.75039       1.766841  3.547962       2.851092  
1 1 1 19 21 4  o 131.9941 1.272795  174.5827       3.238699  174.8638       4.072157  174.0989       5.342801  0.3412933      2.545590  
1 1 1 19 21 5  o 140.4015 1.335906  196.5523       3.596445  194.3065       4.475882  200.6441       6.041576  -2.186935      2.671812  
1 1 1 19 21 6  o 146.9205 1.454646  216.0784       4.218217  214.8171       5.527625  217.8372       6.527102  -0.9752655     2.909292  
1 1 1 19 21 7  o 75.89845 0.9601893 55.75719       1.339764  53.02796       1.587443  62.51422       2.497783  -6.210770      1.920379  
1 1 1 19 21 8  o 79.63780 1.130581  62.54969       1.539913  61.62981       1.761291  65.53453       3.172668  -2.354256      2.261162  
1 1 1 19 21 9  o 31.50468 1.410597  9.955379       0.8711742 9.910074       1.124437  10.02341       1.377896  -0.1536255     2.821194  
1 1 1 19 21 10 f 41.46872 1.004237  17.33742       0.7940601 17.55593       0.9875944 16.93785       1.335492  0.7797203      2.008474  
1 1 1 19 21 11 o 42.13131 0.9467679 17.16112       0.7313169 16.27193       0.8642975 19.40236       1.372179  -3.660587      1.893536  
1 1 1 19 21 12 o 37.24870 0.9895030 13.84905       0.6700994 13.72863       0.7946871 14.14532       1.246553  -0.4893990     1.979006  
1 1 1 19 21 13 o 43.68814 0.9261429 18.64994       0.7345775 17.95056       0.8646391 20.46434       1.392657  -2.773720      1.852286  
1 1 1 19 21 14 o 34.43077 1.149852  11.29907       0.7075222 10.56311       0.8199244 13.44489       1.400050  -4.030582      2.299704  
1 1 1 19 21 15 o 8.778908 2.354844  0.2473168      0.5685098 -0.2181155     0.6817582 1.309738       1.030031  -5.186904      4.709688  
1 1 1 19 21 16 o 19.68387 1.495345  3.924465       0.5283024 3.870703       0.6211389 4.065081       1.004542  -0.2823086     2.990690  
1 1 1 19 21 17 o 22.74698 1.430327  5.358096       0.6382318 5.386158       0.8279719 5.317007       1.001884  0.2986755      2.860654  
1 1 1 19 21 18 o 25.13713 1.470965  6.568614       0.7183756 6.415310       0.9099002 6.822304       1.170494  -0.5157795     2.941930  
1 1 1 19 21 19 o 9.510736 4.250099  0.000000       0.000000  ?              ?         0.2114684      1.658911  ?              ?         
1 1 1 19 21 20 o 10.21146 4.325391  0.000000       0.000000  ?              ?         1.098351       1.530181  ?              ?         
1 1 1 19 22 0  f 91.13870 1.614721  82.99438       2.748663  82.42217       3.335761  84.20458       4.851227  0.000000       0.000000  
1 1 1 19 22 1  o 88.02834 1.129511  77.40508       1.792504  77.18324       2.116280  77.96831       3.372020  -0.4036942     2.259023  
1 1 1 19 22 2  o 66.10275 0.9527912 43.64638       1.240687  43.24922       1.616639  44.21550       1.935214  -0.7213745     1.905582  
1 1 1 19 22 3  o 160.9438 1.496979  260.6161       4.682458  264.1286       5.977711  255.0384       7.532679  2.899323       2.993959  
1 1 1 19 22 4  o 77.42372 1.279666  59.99123       1.981530  59.99123       1.981530  ?              ?         ?              ?         
1 1 1 19 22 5  o 32.74319 1.259271  10.88176       0.7675583 11.14353       0.9348587 10.34028       1.344547  1.244541       2.518541  
1 1 1 19 22 6  o 15.84756 2.415992  2.507116       0.6944610 2.330273       0.8272607 2.929154       1.277980  -1.726880      4.831983  
1 1 1 19 22 7  o 22.66933 1.889066  5.204491       0.8344367 5.339685       1.073767  4.998369       1.325844  0.7789631      3.778132  
1 1 1 19 22 8  o 47.65193 1.153876  21.31442       0.9064434 20.29876       1.013566  25.37177       2.025819  -5.248318      2.307752  
1 1 1 19 22 9  o 25.76656 1.461335  6.985678       0.6653823 7.388542       0.7893907 5.997002       1.236631  2.756836       2.922670  
1 1 1 19 22 10 o 31.62537 1.201304  9.877953       0.7253298 9.507266       0.8928567 10.59735       1.243829  -1.679308      2.402609  
1 1 1 19 22 11 o 45.55600 0.9534187 20.81465       0.8001286 20.80248       0.9600412 20.84231       1.447875  0.1515579E-01  1.906837  
1 1 1 19 22 12 o 22.78934 1.432194  5.063837       0.5855724 4.844378       0.6832152 5.671247       1.136642  -1.696650      2.864388  
1 1 1 19 22 13 o 9.568650 2.391078  0.8613648      0.5508235 1.012332       0.6453357 0.4562018      1.057206  0.6371155      4.782156  
1 1 1 19 22 14 o 21.30484 1.516513  4.796887       0.5823717 5.070746       0.6998186 4.180101       1.050241  2.224152       3.033027  
1 1 1 19 22 15 o 22.42205 1.440645  4.988300       0.5615983 4.855952       0.6463041 5.396265       1.134724  -0.9860210     2.881289  
1 1 1 19 22 16 o 39.32954 0.9966696 15.62102       0.7021043 15.59783       0.8262857 15.68127       1.331639  0.8741760E-01  1.993339  
1 1 1 19 22 17 o 22.75319 1.432505  5.320913       0.6468866 4.979548       0.8537732 5.781022       0.9912049 -1.633259      2.865010  
1 1 1 19 22 18 o 17.64130 2.862105  3.560859       0.8126088 3.454066       0.8975464 4.046341       1.913686  0.6630440      5.724210  
1 1 1 19 22 19 o 13.26484 4.644614  0.000000       0.000000  ?              ?         2.356653       1.524740  ?              ?         
1 1 1 19 23 0  o 181.1092 2.265373  329.0980       8.199679  330.4084       11.57287  327.7770       11.61946  0.000000       0.000000  
1 1 1 19 23 1  o 103.5266 1.293604  106.5648       2.616601  110.9237       4.211740  103.8250       3.339200  3.391411       2.587208  
1 1 1 19 23 2  o 121.8495 1.330005  148.5322       3.239113  154.4396       4.682302  143.1107       4.485619  4.640007       2.660011  
1 1 1 19 23 3  o 111.2362 1.135649  124.0666       2.438295  124.5715       3.072955  123.2084       4.006331  0.6486130      2.271298  
1 1 1 19 23 4  o 36.44555 1.349850  13.40579       0.8504282 13.50490       0.9829904 13.11088       1.695690  0.5736694      2.699701  
1 1 1 19 23 5  o 24.61329 1.854508  5.435796       0.7545164 4.997430       0.8396389 7.274871       1.719784  -4.561501      3.709015  
1 1 1 19 23 6  o 42.70874 1.076857  18.06187       0.8458158 17.74852       1.009341  18.80081       1.549996  -1.202877      2.153715  
1 1 1 19 23 7  o 78.47949 0.9814598 61.94983       1.467913  62.53709       1.822984  60.86691       2.475530  1.105171       1.962920  
1 1 1 19 23 8  o 78.21164 1.094006  61.25895       1.703839  60.58722       2.298836  62.07777       2.538072  -0.9327469     2.188011  
1 1 1 19 23 9  o 25.80076 1.640602  6.847731       0.8276640 7.659253       1.106495  5.816932       1.247058  3.592905       3.281204  
1 1 1 19 23 10 o 39.48303 1.067119  15.41463       0.7656924 15.10419       0.9052901 16.19488       1.435215  -1.320030      2.134239  
1 1 1 19 23 11 o 11.07728 2.512227  1.191101       0.5886248 1.143376       0.6973493 1.309370       1.097764  -1.134910      5.024455  
1 1 1 19 23 12 o 19.18053 1.720862  3.759987       0.5840051 3.785365       0.6839563 3.691689       1.122013  0.3856735      3.441724  
1 1 1 19 23 13 o 18.46272 1.753487  3.324960       0.5713114 3.167890       0.6597874 3.795638       1.142136  -1.517986      3.506975  
1 1 1 19 23 14 o 41.32616 0.9827167 17.00142       0.7428323 16.69731       0.8830045 17.73776       1.373992  -1.122257      1.965433  
1 1 1 19 23 15 o 11.97893 2.390351  1.246826       0.5205073 0.9501958      0.5868418 2.340895       1.127031  -4.998357      4.780702  
1 1 1 19 23 16 o 18.59882 1.791915  3.674571       0.6397332 3.968673       0.8206889 3.219118       1.021297  2.157536       3.583830  
1 1 1 19 23 17 o 27.66530 1.302267  8.110818       0.6867987 8.725063       0.8720589 7.107563       1.114502  3.130348       2.604534  
1 1 1 19 23 18 o 8.515906 2.526565  0.4233119      0.7310789 0.8750896      0.8072820 -1.636480      1.723751  1.336511       5.053130  
1 1 1 19 23 19 o 18.87652 7.077268  0.000000       0.000000  ?              ?         7.554421       3.610116  ?              ?         
1 1 1 19 24 0  f 48.90704 1.859976  24.04259       1.813590  24.04259       1.813590  24.04259       1.813590  0.000000       0.000000  
1 1 1 19 24 1  o 85.31167 1.033476  73.18750       1.739241  74.98602       2.294335  70.75766       2.666785  2.491394       2.066952  
1 1 1 19 24 2  o 48.69879 1.192242  23.54291       1.046806  23.27764       1.233454  24.22588       1.979176  -0.9429779     2.384483  
1 1 1 19 24 3  o 140.3346 1.500698  197.3860       4.211396  196.6037       5.901085  198.1981       6.012095  -0.5619202     3.001396  
1 1 1 19 24 4  f 140.3297 1.600155  195.3269       4.163537  191.7956       5.000676  203.3061       7.517004  -3.939331      3.200310  
1 1 1 19 24 5  o 33.89500 1.313962  11.64376       0.7917731 11.79892       0.9306263 11.23706       1.506715  0.8650169      2.627924  
1 1 1 19 24 6  o 30.98627 1.326661  9.425518       0.7623139 9.099376       0.9123217 10.17999       1.387602  -1.704123      2.653323  
1 1 1 19 24 7  o 78.01558 1.469613  60.62624       1.662099  60.40526       1.807470  61.83661       4.230103  -0.6910324     2.939227  
1 1 1 19 24 8  o 55.38041 0.9849642 29.95003       1.025708  28.51312       1.239566  33.07056       1.826711  -4.060822      1.969928  
1 1 1 19 24 9  o 53.69656 0.9833950 27.85270       1.004900  25.69224       1.223416  32.33321       1.761839  -6.128071      1.966790  
1 1 1 19 24 10 o 25.06140 1.565507  6.314512       0.7605852 6.247910       0.9615537 6.425835       1.243149  -0.2989006     3.131013  
1 1 1 19 24 11 o 19.76971 1.846148  3.646083       0.6976611 2.862441       0.8490282 5.275274       1.224192  -5.976219      3.692297  
1 1 1 19 24 12 o 20.92311 1.702245  4.442276       0.6839874 4.408985       0.8543822 4.501694       1.141411  -0.1171093     3.404490  
1 1 1 19 24 13 o 26.94591 1.582995  7.388322       0.7930685 7.398449       0.9600189 7.366557       1.407327  0.2237835      3.165990  
1 1 1 19 24 14 o 13.33758 2.451179  1.963975       0.6622948 2.209013       0.8734063 1.632449       1.015917  1.966641       4.902357  
1 1 1 19 24 15 o 33.06696 1.150858  11.40076       0.6810661 11.83510       0.8099015 10.35192       1.258548  2.423853       2.301715  
1 1 1 19 24 16 o 25.62153 1.406946  6.585083       0.6351838 6.382253       0.7360173 7.176955       1.257287  -1.146378      2.813892  
1 1 1 19 24 17 o 21.77625 1.979698  5.159088       0.8489922 5.486717       1.134283  4.741720       1.280236  1.911385       3.959396  
1 1 1 19 24 18 o 10.63173 3.014536  1.151321       0.9096091 1.296370       1.034582  0.6573880      1.909160  0.1989651E-01  6.029071  
1 1 1 19 24 19 o 9.495549 4.301733  0.000000       0.000000  ?              ?         0.3907345      1.755544  ?              ?         
1 1 1 19 25 0  o 11.64503 4.308650  1.909188       1.193455  2.061216       2.380185  1.858130       1.379385  0.000000       0.000000  
1 1 1 19 25 1  o 118.0275 1.220921  139.1357       2.844404  137.1537       3.720695  141.9230       4.412356  -1.988434      2.441843  
1 1 1 19 25 2  o 85.28493 1.074640  72.82011       1.832870  71.59592       2.576877  74.07361       2.607534  -1.451294      2.149281  
1 1 1 19 25 3  o 58.64005 0.9792743 34.29363       1.095186  33.98843       1.354946  34.86882       1.860070  -0.7293663     1.958549  
1 1 1 19 25 4  o 105.6830 1.269247  114.4600       2.468585  118.6839       2.989383  105.4047       4.377027  6.369987       2.538493  
1 1 1 19 25 5  o 88.66524 1.070043  78.49822       1.859743  77.40847       2.394584  80.15469       2.952264  -1.511261      2.140086  
1 1 1 19 25 6  o 25.44649 1.651271  6.120615       0.7955275 5.399785       0.9580400 7.721409       1.427691  -4.510389      3.302543  
1 1 1 19 25 7  o 46.22894 1.069067  21.49643       0.9509041 21.67197       1.194578  21.19280       1.571030  0.5532303      2.138135  
1 1 1 19 25 8  o 39.02190 1.336360  15.17522       0.9734547 14.94665       1.176979  15.67012       1.731862  -0.8520164     2.672719  
1 1 1 19 25 9  o 35.18689 1.358944  11.97293       0.8368087 11.49260       0.9628096 13.45624       1.691958  -2.681030      2.717888  
1 1 1 19 25 10 o 48.81381 0.9982973 23.87295       0.9362327 23.74852       1.169981  24.09450       1.561123  -0.3006897     1.996595  
1 1 1 19 25 11 o 10.33267 2.262471  1.008073       0.6513040 1.905010       0.7935579 -0.8430660     1.140033  6.102800       4.524942  
1 1 1 19 25 12 o 33.56607 1.150399  11.06659       0.6892349 10.72979       0.8037275 12.00259       1.339871  -1.767544      2.300798  
1 1 1 19 25 13 o 21.82317 1.591220  4.472027       0.6201943 4.054553       0.7153198 5.736004       1.244672  -3.621811      3.182439  
1 1 1 19 25 14 o 45.79083 1.003896  20.90211       0.8675041 20.39197       1.057671  21.95075       1.516420  -1.553200      2.007792  
1 1 1 19 25 15 o 11.27008 2.484036  1.172338       0.5627085 0.9152091      0.6528704 1.915206       1.109705  -3.729622      4.968072  
1 1 1 19 25 16 o 6.763743 2.827274  0.1617536      0.6397452 0.1617536      0.6397452 ?              ?         ?              ?         
1 1 1 19 25 17 o 9.746181 2.561445  0.9835066      0.6724646 1.261244       0.7890487 0.2463979      1.285441  1.578122       5.122889  
1 1 1 19 25 18 o 15.40250 4.804819  0.000000       0.000000  ?              ?         3.301651       1.639009  ?              ?         
1 1 1 19 25 19 o 10.96195 4.654572  0.000000       0.000000  ?              ?         1.448751       1.779005  ?              ?         
1 1 1 19 26 0  o 64.73959 1.257995  42.15985       1.618454  43.33528       2.203499  40.78290       2.384930  0.000000       0.000000  
1 1 1 19 26 1  o 56.65529 1.007578  32.28461       1.118555  31.40407       1.755944  32.88592       1.451057  -1.321892      2.015156  
1 1 1 19 26 2  o 113.8257 1.188033  129.9360       2.681602  130.7305       3.573272  128.9116       4.057413  0.8274384      2.376067  
1 1 1 19 26 3  o 83.20341 1.161902  69.61299       1.722826  69.90008       2.023011  68.85519       3.286784  0.7082062      2.323805  
1 1 1 19 26 4  o 55.02396 1.154959  28.76417       1.097584  27.33214       1.251698  33.52902       2.283221  -5.555771      2.309919  
1 1 1 19 26 5  o 114.1296 1.175698  130.1003       2.569458  128.9070       3.194320  132.2877       4.324881  -1.394257      2.351395  
1 1 1 19 26 6  o 71.58633 1.113667  50.18143       1.375912  49.03847       1.577624  53.81337       2.812268  -3.223000      2.227335  
1 1 1 19 26 7  o 27.15253 1.443764  7.343620       0.7071502 7.250486       0.8334460 7.582978       1.336135  -0.5419712     2.887528  
1 1 1 19 26 8  o 42.12873 1.076999  17.00121       0.8621801 15.40818       1.045475  20.38784       1.524358  -5.855331      2.153999  
1 1 1 19 26 9  o 76.76285 0.9575635 58.54102       1.381243  57.45500       1.678736  60.81710       2.430273  -2.097847      1.915127  
1 1 1 19 26 10 o 25.29372 1.394588  6.284833       0.6520684 6.015236       0.7772431 6.925538       1.198197  -1.693903      2.789176  
1 1 1 19 26 11 o 65.95655 1.068488  44.86976       1.246736  46.17508       1.467922  41.49072       2.361786  3.749161       2.136977  
1 1 1 19 26 12 o 58.11597 1.440350  32.73302       1.211195  32.08641       1.312171  36.45580       3.148504  -3.188576      2.880700  
1 1 1 19 26 13 o 15.60551 3.252145  2.175691       0.6912342 2.082260       0.7197352 3.285796       2.480901  -3.180811      6.504290  
1 1 1 19 26 14 o 24.34665 2.408762  4.975723       0.7375808 4.646600       0.7737980 8.246784       2.439452  -5.948185      4.817524  
1 1 1 19 26 15 o 10.68053 2.770563  1.020907       0.6259844 1.020835       0.6812668 1.021298       1.586380  -1.681508      5.541126  
1 1 1 19 26 16 o 10.46148 2.390031  1.335143       0.6225196 1.742024       0.6817682 -0.7052857     1.526736  4.117292       4.780061  
1 1 1 19 26 17 o 17.30491 3.042583  3.314469       0.7504785 3.180289       0.7968764 4.367099       2.231952  -0.1762962E-01 6.085167  
1 1 1 19 26 18 o 12.35648 4.652557  0.000000       0.000000  ?              ?         1.948547       1.563460  ?              ?         
1 1 1 19 27 0  o 63.79995 1.630137  40.63244       1.950959  41.89767       3.416383  40.02016       2.376585  0.000000       0.000000  
1 1 1 19 27 1  o 42.97742 0.9527774 18.46790       0.8163363 18.12498       1.106434  18.87759       1.209370  -0.8696518     1.905555  
1 1 1 19 27 2  o 45.82996 1.052930  20.98694       0.9465986 21.34502       1.497957  20.74888       1.221373  0.6318779      2.105861  
1 1 1 19 27 3  o 61.47521 0.8847498 37.84498       1.087780  38.14095       1.544143  37.55341       1.532628  0.4772034      1.769500  
1 1 1 19 27 4  o 133.4828 1.496354  177.5461       3.561671  175.8844       4.170337  182.0250       6.846830  -2.036255      2.992709  
1 1 1 19 27 5  o 116.4443 1.792627  134.2570       3.028263  133.1960       3.290838  140.1207       7.736519  -2.346901      3.585254  
1 1 1 19 27 6  o 11.66843 2.652474  1.438961       0.7267855 1.867507       0.8345069 0.9302886E-01  1.478914  3.283032       5.304948  
1 1 1 19 27 7  o 13.22203 3.248543  1.072205       0.7597468 0.8172252      0.8114043 2.885595       2.163867  -7.283636      6.497086  
1 1 1 19 27 8  o 29.42192 1.891565  8.665982       1.090263  8.301122       1.394305  9.240106       1.749030  -1.513617      3.783130  
1 1 1 19 27 9  o 47.53749 1.140229  22.16295       0.9175802 21.68873       1.043207  23.78385       1.928673  -2.056767      2.280458  
1 1 1 19 27 10 o 24.78266 1.847691  5.825389       0.7594038 5.513743       0.8507553 7.047249       1.684555  -2.808971      3.695382  
1 1 1 19 27 11 f 34.17249 1.492126  11.88133       0.7962519 11.91143       0.8846812 11.75297       1.827107  0.5112534      2.984252  
1 1 1 19 27 12 o 8.964054 2.344107  0.6670674      0.5904359 1.075337       0.6774107 -0.6236542     1.204467  2.353480       4.688214  
1 1 1 19 27 13 o 22.69571 1.740707  5.361041       0.7504461 5.561638       0.9371656 5.002528       1.252866  1.388941       3.481414  
1 1 1 19 27 14 o 10.41810 2.606682  0.8524612      0.6018507 0.6037817      0.6891836 1.651379       1.235281  -4.078076      5.213365  
1 1 1 19 27 15 o 30.34530 1.281367  8.895612       0.7140247 8.124231       0.8403622 10.89826       1.354048  -4.192020      2.562733  
1 1 1 19 27 16 o 15.09064 2.501440  2.452430       0.6660015 2.248278       0.7685176 3.068182       1.334688  -1.666546      5.002880  
1 1 1 19 27 17 o 16.98720 2.422661  2.715775       0.7488897 1.809674       0.8654769 5.415747       1.493987  -9.325221      4.845321  
1 1 1 19 27 18 o 29.17432 3.487205  0.000000       0.000000  ?              ?         10.30309       2.034737  ?              ?         
1 1 1 19 28 0  o 24.50161 2.656192  6.432323       1.095345  6.438608       1.314544  6.418050       1.981109  0.000000       0.000000  
1 1 1 19 28 1  o 41.04119 0.9934490 16.85615       0.8126113 16.66036       1.101196  17.09023       1.204098  -0.5170135     1.986898  
1 1 1 19 28 2  o 47.60858 0.9265491 22.70334       0.8818515 23.59420       1.252805  21.82845       1.241524  1.853741       1.853098  
1 1 1 19 28 3  o 53.33759 1.013318  28.42454       1.064126  28.99527       1.665370  28.03074       1.383366  0.8828239      2.026636  
1 1 1 19 28 4  o 83.34308 1.135280  68.70640       1.682884  67.57500       1.964012  71.83172       3.264260  -2.425606      2.270560  
1 1 1 19 28 5  o 31.41437 1.316502  10.03896       0.7650212 10.24917       0.9262324 9.587741       1.357036  1.106991       2.633004  
1 1 1 19 28 6  o 59.03390 1.020000  35.03173       1.171745  35.28245       1.496541  34.63453       1.883649  0.5899811      2.040001  
1 1 1 19 28 7  o 97.15796 1.119058  94.67010       2.134986  94.19131       2.765029  95.37701       3.359782  -0.5335922     2.238116  
1 1 1 19 28 8  o 22.61790 1.731013  5.085962       0.7470807 4.891501       0.9191713 5.464463       1.282375  -1.183123      3.462026  
1 1 1 19 28 9  o 54.66325 0.9836232 29.77355       0.9935426 29.36643       1.191323  30.70358       1.800580  -1.114925      1.967246  
1 1 1 19 28 10 o 54.52161 1.002308  29.74597       1.053458  29.30822       1.319551  30.51532       1.749353  -1.014721      2.004615  
1 1 1 19 28 11 o 48.98064 1.497435  23.84005       1.006322  23.65473       1.081453  25.03651       2.747859  -0.8837051     2.994870  
1 1 1 19 28 12 o 36.46129 1.163176  13.69702       0.7621759 14.04740       0.9053373 12.84440       1.412271  1.813923       2.326353  
1 1 1 19 28 13 o 17.43422 2.162022  3.133207       0.6551083 3.004163       0.7642598 3.490677       1.272014  -0.6556511     4.324044  
1 1 1 19 28 14 o 26.03989 1.451197  6.862710       0.6971189 6.748683       0.8349981 7.125030       1.266476  -0.4873314     2.902394  
1 1 1 19 28 15 o 17.42172 2.130990  3.243024       0.6581575 3.119579       0.7797986 3.548732       1.227155  -0.3130455     4.261981  
1 1 1 19 28 16 o 18.67556 2.146161  4.015640       0.6994978 4.232115       0.8419271 3.533181       1.256898  2.831034       4.292322  
1 1 1 19 28 17 o 9.981110 2.885825  0.9221342      0.8505378 0.9695043      0.9895393 0.7881554      1.664175  -0.6846094     5.771649  
1 1 1 19 28 18 o 9.159295 4.120093  0.000000       0.000000  ?              ?         0.3396933      1.582345  ?              ?         
1 1 1 19 29 0  o 128.7921 1.714419  166.5934       4.411040  165.9585       6.152067  167.2650       6.327955  0.000000       0.000000  
1 1 1 19 29 1  o 84.47466 1.025571  71.50287       1.714140  71.30355       2.263138  71.77106       2.625299  -0.2457428     2.051141  
1 1 1 19 29 2  o 74.57214 0.9058065 55.63336       1.349604  53.74669       1.858385  57.73881       1.963181  -2.668243      1.811613  
1 1 1 19 29 3  o 22.47735 1.555353  5.061672       0.6888236 4.953129       0.8956524 5.218825       1.077703  -0.5642776     3.110705  
1 1 1 19 29 4  o 26.19024 1.508958  6.881525       0.7873826 7.147623       1.174398  6.664239       1.061236  0.9056377      3.017916  
1 1 1 19 29 5  o 26.92425 1.528962  7.271163       0.7912677 7.197508       0.9883835 7.402624       1.320446  -0.3279018     3.057925  
1 1 1 19 29 6  o 70.97005 0.9585739 50.49276       1.308863  50.43013       1.640211  50.60258       2.171744  -0.6411743E-01 1.917148  
1 1 1 19 29 7  o 14.13430 2.394213  2.068283       0.6307721 1.991408       0.7590665 2.239821       1.133878  -0.7496872     4.788427  
1 1 1 19 29 8  o 9.075314 2.574254  0.4616907      0.6934825 0.6215464      0.8477474 0.1383468      1.205687  -0.7769871E-01 5.148509  
1 1 1 19 29 9  o 31.36787 1.297568  10.16472       0.7440575 10.53181       0.8967690 9.353672       1.332969  1.990154       2.595136  
1 1 1 19 29 10 o 23.02707 1.667231  5.151015       0.7334066 4.636642       0.8944113 6.206675       1.281327  -3.270674      3.334463  
1 1 1 19 29 11 o 41.28495 1.341680  17.33382       0.9168040 17.38161       1.039219  17.16605       1.947060  0.5691872      2.683360  
1 1 1 19 29 12 o 12.67470 2.703798  1.576161       0.7243783 1.160309       0.8959306 2.361171       1.230956  -3.934208      5.407595  
1 1 1 19 29 13 o 21.85425 1.614263  4.636323       0.6447142 4.278151       0.7572677 5.579787       1.229040  -2.700947      3.228526  
1 1 1 19 29 14 o 18.37446 2.223188  3.894600       0.6825398 4.161725       0.8004060 3.182639       1.306715  3.487740       4.446377  
1 1 1 19 29 15 o 33.48359 1.265864  11.28220       0.7841468 10.86011       0.9372345 12.26708       1.431650  -1.688881      2.531729  
1 1 1 19 29 16 o 13.45390 2.786544  1.962316       0.7428890 1.515760       0.8776416 3.090888       1.395224  -4.226137      5.573088  
1 1 1 19 29 17 o 27.73991 2.009827  8.563986       0.9590099 8.592713       1.112400  8.480832       1.892571  1.665634       4.019654  
1 1 1 19 30 0  o 22.23917 2.248488  5.309534       0.9148792 5.555613       1.185177  4.946682       1.439163  0.000000       0.000000  
1 1 1 19 30 1  o 41.94984 0.9674581 17.65626       0.8110709 18.32919       1.141990  16.97133       1.152132  1.619404       1.934916  
1 1 1 19 30 2  o 70.63721 1.064415  49.80826       1.431842  49.25062       1.767670  50.87225       2.441718  -1.076080      2.128829  
1 1 1 19 30 3  o 57.45056 0.8785984 33.08083       1.008682  33.07743       1.398297  33.08451       1.456463  -0.8201599E-03 1.757197  
1 1 1 19 30 4  o 36.41529 1.327759  12.78873       0.8420040 12.26509       0.9661012 14.44326       1.717291  -2.887218      2.655518  
1 1 1 19 30 5  o 51.26309 1.082041  26.41900       1.099534  26.67822       1.464834  26.08446       1.664109  0.6042290      2.164083  
1 1 1 19 30 6  o 11.53805 2.910876  1.101912       0.8721057 1.742946       1.270760  0.5311844      1.199049  3.189780       5.821752  
1 1 1 19 30 7  f 14.30047 2.433623  1.840308       0.6436847 1.320565       0.7543183 3.232633       1.234612  -6.180093      4.867245  
1 1 1 19 30 8  f 61.70493 0.9736654 37.90176       1.142368  37.11131       1.404797  39.44495       1.962839  -1.788952      1.947331  
1 1 1 19 30 9  o 8.616148 2.525521  0.1897443      0.6562069 0.2845713E-01  0.7795200 0.5820283      1.215703  -2.793781      5.051041  
1 1 1 19 30 10 o 11.39194 2.891813  1.167833       0.7622954 1.149979       0.8817005 1.220684       1.516989  -1.383794      5.783627  
1 1 1 19 30 11 o 12.65497 2.813569  1.731370       0.7450264 1.865222       0.8558901 1.312761       1.513599  0.9352255      5.627137  
1 1 1 19 30 12 o 15.85656 2.370314  2.644717       0.6844432 2.466298       0.8215191 3.049609       1.237563  -1.369655      4.740628  
1 1 1 19 30 13 o 13.03606 2.510523  1.904342       0.6334460 1.990268       0.7434386 1.676686       1.210108  1.085066       5.021046  
1 1 1 19 30 14 o 22.82988 1.809146  6.025405       0.7004209 6.697162       0.8320531 4.391697       1.297574  5.517624       3.618291  
1 1 1 19 30 15 o 20.92381 1.994992  4.516609       0.7514585 4.225241       0.8776861 5.316695       1.454411  -1.749985      3.989984  
1 1 1 19 30 16 o 23.99374 1.910400  5.785865       0.8472039 5.019942       0.9973903 7.770267       1.605415  -4.653048      3.820801  
1 1 1 19 30 17 o 8.441431 2.689682  -0.1728258     1.015910  0.8591350      1.385679  -1.372174      1.493838  2.503407       5.379363  
1 1 1 19 31 0  o 53.46294 1.582189  29.08055       1.524251  29.41750       1.812068  28.26530       2.818638  0.000000       0.000000  
1 1 1 19 31 1  o 48.36903 0.9724273 23.64254       0.9315820 25.08303       1.258034  21.89364       1.386181  3.309998       1.944855  
1 1 1 19 31 2  o 40.96348 0.9714115 16.84319       0.7950900 17.36258       1.112470  16.30085       1.136778  1.298443       1.942823  
1 1 1 19 31 3  o 9.490313 2.475256  0.7243325      0.6236909 0.5986090      0.8914860 0.8448606      0.8728727 -0.6660032     4.950512  
1 1 1 19 31 4  o 86.47532 1.133890  75.91414       1.883954  78.13122       2.376159  72.16135       3.091448  3.551422       2.267780  
1 1 1 19 31 5  o 83.67416 0.9737119 70.22865       1.629032  68.00363       2.278520  72.55524       2.329938  -2.713242      1.947424  
1 1 1 19 31 6  o 48.36731 1.025774  23.92838       0.9315558 24.78810       1.147585  22.26735       1.595128  2.681934       2.051548  
1 1 1 19 31 7  o 40.27796 1.247903  16.34120       0.9890253 16.27710       1.287274  16.43356       1.545164  -0.1349678     2.495807  
1 1 1 19 31 8  o 11.73951 2.839106  1.222246       0.7947224 0.7895064      1.007040  1.936697       1.293958  -3.628841      5.678213  
1 1 1 19 31 9  o 28.62509 1.454360  8.745265       0.7655204 9.628163       0.9460080 7.070348       1.302974  4.579067       2.908720  
1 1 1 19 31 10 f 25.24442 1.670822  6.270583       0.8163978 5.614740       1.013257  7.484191       1.378349  -3.530746      3.341643  
1 1 1 19 31 11 o 60.97481 1.146993  37.55910       1.397886  38.44157       2.020446  36.74880       1.936071  1.359333       2.293987  
1 1 1 19 31 12 o 44.20762 1.115638  19.49531       0.9099582 19.03079       1.087644  20.57894       1.661219  -1.519459      2.231275  
1 1 1 19 31 13 o 28.35179 1.520642  8.137231       0.8025107 7.883328       0.9655008 8.704673       1.443379  -1.108255      3.041285  
1 1 1 19 31 14 o 16.12071 2.373316  3.183141       0.6980063 3.614457       0.8436418 2.247173       1.242771  4.874299       4.746632  
1 1 1 19 31 15 o 10.87555 2.785996  1.233180       0.8757510 2.025508       1.112578  -0.5729033E-01 1.419880  4.115452       5.571992  
1 1 1 19 31 16 o 12.96624 2.779214  1.822898       0.9006790 0.4111512      1.187224  3.737129       1.382456  -8.349969      5.558428  
1 1 1 19 31 17 o 13.98479 3.366592  2.681133       1.307020  0.6359887      1.779900  5.074513       1.925482  -8.298258      6.733183  
1 1 1 19 32 0  o 22.95447 2.080902  5.507524       0.9160141 5.576236       1.194731  5.409523       1.426832  0.000000       0.000000  
1 1 1 19 32 1  o 35.32497 1.115357  12.42477       0.7817004 13.34901       1.198625  11.74075       1.031161  2.253696       2.230714  
1 1 1 19 32 2  o 15.89246 2.292273  2.742344       0.7050929 1.945579       1.068919  3.356067       0.9381363 -4.638363      4.584545  
1 1 1 19 32 3  f 35.59415 1.017295  12.71918       0.7234241 12.75012       1.000939  12.68534       1.046750  0.9706497E-01  2.034589  
1 1 1 19 32 4  o 53.73392 0.8913161 28.95252       0.9574934 28.57330       1.332024  29.35796       1.377312  -0.7244720     1.782632  
1 1 1 19 32 5  o 34.45135 1.122209  11.88909       0.7680521 11.49213       1.021321  12.40580       1.165230  -1.297199      2.244419  
1 1 1 19 32 6  o 18.81482 2.036171  3.354867       0.7077909 2.980668       0.8339175 4.318923       1.338516  -3.365442      4.072342  
1 1 1 19 32 7  o 14.04346 2.634653  2.205068       0.8060238 3.057585       1.061454  1.043965       1.238754  5.826676       5.269307  
1 1 1 19 32 8  f 22.45758 1.767201  5.263540       0.7077583 5.426513       0.8384454 4.859535       1.320110  1.441042       3.534401  
1 1 1 19 32 9  o 10.20460 2.443423  1.045751       0.6480443 1.527219       0.7542926 -0.3113232     1.266361  3.444233       4.886845  
1 1 1 19 32 10 o 27.66896 1.689776  7.836913       0.9337609 7.703785       1.349840  7.959077       1.293064  -0.4885120     3.379551  
1 1 1 19 32 11 o 8.103345 2.557016  -0.2943841     0.8292317 -0.1821129     1.066661  -0.4658869     1.318342  -0.4515815     5.114032  
1 1 1 19 32 12 f 15.81800 2.566780  2.685827       0.7569240 2.509205       0.9202639 3.055210       1.330846  -1.257761      5.133560  
1 1 1 19 32 13 o 16.47624 2.441514  3.236379       0.7378529 3.582868       0.8941551 2.496872       1.306288  3.988410       4.883028  
1 1 1 19 32 14 o 9.317593 2.715439  0.4749805      0.7273394 0.2589111      0.8439234 1.098974       1.434156  -3.181566      5.430879  
1 1 1 19 32 15 o 9.108214 2.688059  0.5549483      0.7410155 0.4657847      0.8670756 0.7964690      1.427053  -1.885485      5.376118  
1 1 1 19 32 16 o 9.582252 3.138406  -0.2526199     1.439643  0.3016791      1.923096  -0.9592726     2.171360  0.7808533      6.276812  
1 1 1 19 33 0  o 38.03068 1.463922  14.59855       1.085744  14.38877       1.402053  14.91281       1.716044  0.000000       0.000000  
1 1 1 19 33 1  o 14.09271 2.286470  2.052116       0.6630170 2.971634       0.9623553 1.221320       0.9147503 6.030896       4.572940  
1 1 1 19 33 2  o 71.05354 1.014331  50.05087       1.402740  48.01040       1.772722  53.46830       2.294162  -3.763329      2.028662  
1 1 1 19 33 3  o 27.20215 1.245548  7.455366       0.6773050 7.474568       0.9440185 7.434998       0.9723163 0.7872581E-01  2.491096  
1 1 1 19 33 4  o 52.84849 1.082386  27.80473       1.095796  29.11761       1.855021  27.10106       1.358070  1.809811       2.164773  
1 1 1 19 33 5  o 39.75502 1.036410  15.92134       0.8227431 15.26376       1.180267  16.54290       1.147493  -1.615295      2.072819  
1 1 1 19 33 6  o 25.21431 1.965568  7.174404       0.8371210 7.969177       0.9895825 5.174579       1.569734  5.765974       3.931136  
1 1 1 19 33 7  o 11.75109 2.856833  1.386615       0.7963350 1.643896       0.9363978 0.7143411      1.513663  1.344960       5.713666  
1 1 1 19 33 8  f 38.93997 1.816365  14.91606       1.035982  14.64242       1.126402  16.41813       2.639039  -1.639893      3.632729  
1 1 1 19 33 9  o 31.01789 1.499659  9.913664       0.9041020 10.34570       1.165444  9.260724       1.432737  1.862803       2.999318  
1 1 1 19 33 10 o 19.99197 2.369700  4.265136       0.9214615 4.223269       1.237236  4.317287       1.380847  0.1925240      4.739400  
1 1 1 19 33 11 o 16.87078 2.332745  2.931790       0.7250965 2.561767       0.8823656 3.701341       1.272484  -2.926022      4.665491  
1 1 1 19 33 12 o 25.60653 1.646163  6.251687       0.7846121 5.384807       0.9278191 8.427852       1.470042  -5.481073      3.292326  
1 1 1 19 33 13 o 8.559847 2.525967  0.3545438      0.7341360 0.7333689      0.8909588 -0.4465884     1.295658  1.052963       5.051935  
1 1 1 19 33 14 o 7.912947 2.444963  0.8328554E-01  0.6923605 0.5654503E-01  0.8431349 0.1386535      1.213225  -1.332277      4.889927  
1 1 1 19 33 15 o 25.24490 2.462422  6.000124       1.061837  4.804219       1.185767  10.84091       2.385662  -8.970587      4.924843  
1 1 1 19 33 16 o 13.16285 2.946382  2.623210       0.9879846 3.295086       1.174448  0.9967110      1.827326  5.638674       5.892765  
1 1 1 19 34 0  o 88.88815 1.411826  79.48768       2.504804  78.41852       3.459690  80.66547       3.631185  0.000000       0.000000  
1 1 1 19 34 1  o 40.43249 1.353045  17.07063       0.9779225 17.85025       1.164275  15.20296       1.802032  3.425594       2.706091  
1 1 1 19 34 2  o 48.09364 0.9837101 23.34255       0.9399125 24.21823       1.272907  22.29268       1.393775  2.023552       1.967420  
1 1 1 19 34 3  o 24.38423 1.502441  6.060502       0.7272037 5.484461       1.059686  6.573244       0.9997703 -2.249313      3.004882  
1 1 1 19 34 4  o 33.52520 1.066664  11.30374       0.7148181 10.94584       0.9914992 11.69109       1.031497  -1.102512      2.133327  
1 1 1 19 34 5  o 23.60412 1.379586  5.640214       0.6501607 5.730043       0.8979413 5.541223       0.9426169 0.4130554      2.759172  
1 1 1 19 34 6  o 12.27864 2.325649  1.524786       0.6107631 0.8529763      0.8152440 2.384230       0.9220897 -5.319116      4.651298  
1 1 1 19 34 7  o 14.86782 2.760004  2.130263       0.7180451 1.897661       0.8095065 2.988650       1.555090  -3.131180      5.520008  
1 1 1 19 34 8  o 28.67300 1.541487  8.112119       0.8074363 7.742392       0.9536093 9.048519       1.517609  -2.029860      3.082975  
1 1 1 19 34 9  o 22.33640 1.952319  5.125618       0.8124421 5.077233       0.9834027 5.229641       1.441921  -0.7267380E-01 3.904639  
1 1 1 19 34 10 o 31.45091 1.412012  10.37883       0.8295436 10.98372       1.025001  9.230505       1.412274  2.977787       2.824024  
1 1 1 19 34 11 o 14.10092 2.980364  1.783472       0.7795306 1.380299       0.8761934 3.314243       1.707298  -5.552828      5.960727  
1 1 1 19 34 12 o 22.82621 2.684660  4.531950       0.8436946 4.014242       0.8993530 8.330482       2.436103  -6.484552      5.369320  
1 1 1 19 34 13 o 8.921804 3.486967  0.6793187      0.9007587 0.6793187      0.9007587 ?              ?         ?              ?         
1 1 1 19 34 14 o 10.41613 3.124836  0.8596215      0.9302570 0.8539601      1.021103  0.8872587      2.256061  -1.919175      6.249672  
1 1 1 19 34 15 o 9.394005 2.914571  0.4014025      1.039215  0.7449642      1.256518  -0.3423541     1.848764  0.3436022      5.829142  
1 1 1 19 35 0  o 60.20580 1.286615  36.29805       1.527743  35.14286       1.997838  37.92486       2.370839  0.000000       0.000000  
1 1 1 19 35 1  o 58.30909 0.9065854 34.17653       1.056851  34.78071       1.483539  33.55396       1.505939  1.056179       1.813171  
1 1 1 19 35 2  o 8.536812 2.408829  0.3530355      0.6444935 -0.1936020     0.9885662 0.7571313      0.8499594 -1.757855      4.817658  
1 1 1 19 35 3  o 22.03174 1.527176  5.022377       0.6586195 5.868022       0.9020865 4.057002       0.9638337 4.129799       3.054352  
1 1 1 19 35 4  o 17.22655 2.051905  3.142065       0.6767466 3.497008       0.9113008 2.705646       1.010496  2.614209       4.103810  
1 1 1 19 35 5  o 11.81289 2.475908  1.452431       0.6169554 1.350546       0.7955457 1.606166       0.9772273 -1.005267      4.951815  
1 1 1 19 35 6  o 18.58744 2.013269  3.338793       0.6991192 2.265499       0.8743279 5.241684       1.164184  -8.087384      4.026538  
1 1 1 19 35 7  o 44.50204 1.337690  20.33566       1.017018  20.57024       1.171198  19.61650       2.050695  1.396011       2.675381  
1 1 1 19 35 8  o 39.36388 1.475305  16.32712       1.033221  17.07310       1.227403  14.51297       1.914086  3.534508       2.950610  
1 1 1 19 35 9  o 18.63599 2.652162  4.373151       0.8727369 5.169883       1.040113  2.477733       1.604268  7.579866       5.304324  
1 1 1 19 35 10 o 32.17632 1.751297  10.97361       0.9115878 11.18230       1.030397  10.22197       1.955489  2.086355       3.502595  
1 1 1 19 35 11 o 17.48071 2.485440  3.765837       0.7800722 4.326467       0.9424627 2.546238       1.390064  5.748657       4.970879  
1 1 1 19 35 12 o 11.23651 2.955125  1.309878       0.7838149 1.385035       0.8698332 0.9852707      1.807726  -0.3107691     5.910250  
1 1 1 19 35 13 o 20.73435 2.362287  5.006494       0.7958451 5.139865       0.9180480 4.603172       1.596471  2.813553       4.724573  
1 1 1 19 35 14 o 10.85265 2.906889  1.354143       0.8649451 1.355022       1.161430  1.353049       1.296045  -0.8925152E-01 5.813779  
1 1 1 19 35 15 o 23.72604 2.187564  6.674593       1.022793  7.513768       1.414717  5.755669       1.480413  3.889996       4.375128  
1 1 1 19 36 0  o 27.02694 1.911907  7.590096       0.9992126 7.549961       1.305511  7.646863       1.552589  0.000000       0.000000  
1 1 1 19 36 1  o 34.24810 1.159303  11.87757       0.7897508 10.57442       1.125613  13.14103       1.108339  -3.751289      2.318605  
1 1 1 19 36 2  o 52.26600 1.042847  27.44843       1.059220  27.70614       1.717352  27.29021       1.345657  0.3152580      2.085695  
1 1 1 19 36 3  o 9.470898 2.451350  0.7267110      0.6268854 1.108814       0.8701475 0.3143747      0.9039163 2.173335       4.902701  
1 1 1 19 36 4  o 9.117943 2.415715  0.5688862      0.6128964 0.1536282      0.8239280 1.083334       0.9170665 -2.860617      4.831430  
1 1 1 19 36 5  o 19.47326 1.819412  3.804756       0.6947615 2.886103       0.9187160 5.031913       1.061832  -5.441031      3.638824  
1 1 1 19 36 6  o 16.59109 2.049617  2.888456       0.6655026 2.731654       0.9390291 3.046691       0.9433113 -1.203987      4.099234  
1 1 1 19 36 7  o 25.98400 1.589485  6.793882       0.7880692 6.571685       0.9710854 7.222506       1.348730  -1.078400      3.178970  
1 1 1 19 36 8  o 19.61153 2.171489  4.038810       0.7787422 3.941450       0.9483017 4.240436       1.364670  -0.1212273     4.342978  
1 1 1 19 36 9  o 31.48923 1.574534  10.56291       0.9412203 11.65610       1.200449  8.818509       1.516412  4.699787       3.149069  
1 1 1 19 36 10 o 33.00989 1.368883  11.06120       0.8453951 10.82697       1.023861  11.56300       1.498609  -0.7878876     2.737766  
1 1 1 19 36 11 o 13.34126 2.728642  1.879252       0.7446785 1.358375       0.9069151 2.957255       1.304696  -4.682814      5.457284  
1 1 1 19 36 12 o 37.54878 1.496937  15.40289       0.9692497 16.11930       1.135177  13.47543       1.861974  4.315598       2.993874  
1 1 1 19 36 13 o 16.08602 3.035862  3.419245       1.004548  3.804631       1.288121  2.821067       1.604812  3.274964       6.071725  
1 1 1 19 36 14 o 12.48437 3.070547  1.999569       0.9419988 1.721934       1.289566  2.317204       1.379335  -1.473268      6.141094  
1 1 1 19 37 0  o 38.82116 1.427394  15.37648       1.095352  16.46172       1.509140  14.16831       1.592328  0.000000       0.000000  
1 1 1 19 37 1  o 38.87587 1.021568  15.19186       0.7935822 15.98180       1.150346  14.47454       1.096200  1.925468       2.043137  
1 1 1 19 37 2  o 39.67400 1.029743  15.86961       0.8162029 16.22801       1.136608  15.48801       1.172814  0.9417305      2.059486  
1 1 1 19 37 3  o 53.12336 1.075399  28.68003       1.115227  27.42630       1.760357  29.52056       1.441375  -2.060974      2.150797  
1 1 1 19 37 4  o 19.49120 1.748870  3.847977       0.6771084 3.305598       0.9078666 4.527867       1.016460  -3.081221      3.497740  
1 1 1 19 37 5  f 45.48592 1.036785  20.87717       0.9345018 20.93054       1.241429  20.80737       1.419586  0.1879044      2.073571  
1 1 1 19 37 6  o 20.22389 2.070540  4.143535       0.7689301 4.494626       1.420676  3.998073       0.9144496 0.9118690      4.141079  
1 1 1 19 37 7  o 22.12010 1.801305  5.137475       0.7410148 5.285398       0.9049533 4.836460       1.290927  1.267479       3.602611  
1 1 1 19 37 8  o 38.35754 1.216828  14.93775       0.8811878 14.89299       1.080749  15.02652       1.521994  0.3795242E-01  2.433657  
1 1 1 19 37 9  o 35.37735 1.321884  12.43286       0.9014741 11.52824       1.116819  14.12428       1.527131  -3.428055      2.643767  
1 1 1 19 37 10 o 24.33820 1.710909  6.401293       0.7871430 6.841881       0.9895869 5.642343       1.298806  2.790546       3.421818  
1 1 1 19 37 11 o 10.68599 3.012914  0.7879488      0.8322757 0.4867393      0.9430630 1.848745       1.769793  -4.218155      6.025828  
1 1 1 19 37 12 o 11.13388 2.958922  0.9275146      0.8118536 0.3792245      0.9340754 2.621037       1.641618  -5.884539      5.917844  
1 1 1 19 37 13 o 22.42392 2.421677  6.040190       1.016249  7.227270       1.383771  4.650296       1.497321  6.320875       4.843354  
1 1 1 19 37 14 o 10.52912 2.837090  1.128589       0.9087231 0.3177936E-01  1.236828  2.415186       1.339569  -4.985343      5.674179  
1 1 1 19 38 0  o 12.89023 3.610457  2.138950       0.9072500 1.437137       1.121772  3.466093       1.542597  0.000000       0.000000  
1 1 1 19 38 1  o 14.91547 2.257463  2.393598       0.6497872 2.360457       0.8729934 2.434767       0.9729946 -0.1585588     4.514926  
1 1 1 19 38 2  o 13.22789 2.632079  1.810551       0.7081982 1.501625       0.8890379 2.346967       1.171504  -2.761487      5.264158  
1 1 1 19 38 3  o 9.614655 2.398752  0.4966394      0.7662675 1.692134       0.9132626 -2.346629      1.408416  5.790650       4.797505  
1 1 1 19 38 4  o 35.09735 1.127949  12.43840       0.7909113 12.30270       1.090954  12.58873       1.148282  -0.3889465     2.255899  
1 1 1 19 38 5  o 18.01535 2.706387  3.644589       0.9793796 5.223069       1.381234  2.048534       1.388902  8.637340       5.412774  
1 1 1 19 38 6  o 13.76588 2.454442  2.221707       0.7493573 0.8043761      1.225568  3.067959       0.9470032 -6.835550      4.908884  
1 1 1 19 38 7  o 7.250697 2.170190  -0.2214727     0.6103112 -1.198653      0.8992239 0.6131062      0.8310252 -3.097510      4.340379  
1 1 1 19 38 8  o 16.82928 2.389456  2.888982       0.7228768 2.532915       0.8570853 3.766454       1.345473  -3.037683      4.778913  
1 1 1 19 38 9  o 20.95173 2.233382  5.101058       0.8013002 5.551178       0.9656292 4.105682       1.435949  4.355688       4.466763  
1 1 1 19 38 10 o 16.44918 2.912947  3.216491       0.8457848 3.255773       0.9485654 3.064120       1.868176  1.997899       5.825895  
1 1 1 19 38 11 o 9.619318 2.661516  0.7871010      0.8160587 1.393319       0.9282208 -1.276422      1.712543  2.791479       5.323032  
1 1 1 19 38 12 o 15.56333 3.089956  2.809986       0.9865115 1.891113       1.206417  4.664372       1.713837  -6.525283      6.179912  
1 1 1 19 38 13 o 9.997908 2.845718  0.8871107      0.9496952 1.735483       1.269915  -0.1894305     1.430529  3.266796       5.691436  
1 1 1 19 39 0  f 59.27072 1.692313  36.33098       1.785771  37.15145       2.113715  34.28498       3.337861  0.000000       0.000000  
1 1 1 19 39 1  o 13.77017 2.476486  2.054332       0.6842168 1.848732       0.9357800 2.290516       1.002967  -1.455646      4.952972  
1 1 1 19 39 2  o 33.39841 1.150208  11.28185       0.7682663 11.43532       1.091014  11.13089       1.082027  0.4525757      2.300416  
1 1 1 19 39 3  o 9.928028 2.380767  0.6594990      0.7009051 1.855491       0.9463530 -0.7937024     1.043162  6.142337       4.761534  
1 1 1 19 39 4  o 43.18175 1.380022  19.23632       1.108663  19.62949       1.349919  18.42159       1.943236  1.699028       2.760045  
1 1 1 19 39 5  o 35.12048 1.096395  12.51901       0.7679630 13.40548       1.076772  11.60127       1.095600  2.576107       2.192790  
1 1 1 19 39 6  o 13.39977 2.447999  2.072149       0.6983992 1.118429       1.073764  2.771461       0.9194626 -5.257209      4.895997  
1 1 1 19 39 7  f 21.06589 1.662071  4.595114       0.6997902 4.767057       0.9874268 4.421612       0.9918942 0.8232365      3.324142  
1 1 1 19 39 8  f 30.78764 1.706632  9.777575       1.022938  9.218522       1.290956  10.72086       1.676901  -2.040693      3.413265  
1 1 1 19 39 9  o 11.75916 3.082732  1.515580       0.9969044 1.991059       1.182274  0.3457909      1.854411  2.441234       6.165463  
1 1 1 19 39 10 o 8.235448 2.568805  0.9950494E-01  0.7756728 0.4176678      0.8812574 -0.9947081     1.634289  -0.1034050     5.137609  
1 1 1 19 39 11 o 8.127918 2.621473  -0.3185160     0.9345112 -0.4443971     1.233851  -0.1491476     1.431195  -0.9369321     5.242945  
1 1 1 19 39 12 f 10.20671 3.070401  0.7941960      1.073841  1.022688       1.726946  0.6501543      1.371157  1.163528       6.140802  
1 1 1 19 39 13 o 11.20860 3.197198  1.651651       1.120776  1.184957       1.775919  1.960561       1.444850  -1.277365      6.394396  
1 1 1 19 40 0  o 34.56148 1.797898  12.04011       1.184268  11.28973       1.469220  13.43196       2.000976  0.000000       0.000000  
1 1 1 19 40 1  o 10.62295 2.592651  1.068165       0.6847094 0.6404212      0.9297928 1.574973       1.012083  -2.890652      5.185302  
1 1 1 19 40 2  o 9.206898 2.652785  0.3890595      0.7509133 0.8010710      1.225893  0.1416307      0.9499984 2.275681       5.305570  
1 1 1 19 40 3  o 10.66384 2.868318  0.6273823      0.8680342 -0.9492617E-01 1.093778  1.856298       1.426688  -5.059890      5.736636  
1 1 1 19 40 4  o 24.42605 1.429235  6.076012       0.6965448 5.616417       0.9484770 6.614056       1.026238  -1.997429      2.858469  
1 1 1 19 40 5  f 16.86080 2.200845  2.973594       0.6963147 3.273939       1.178313  2.812429       0.8631495 0.7841110      4.401690  
1 1 1 19 40 6  o 15.72019 2.398817  2.764782       0.7323543 2.743194       1.043938  2.785703       1.027665  -0.1564074     4.797634  
1 1 1 19 40 7  o 8.870929 2.484327  0.4920438      0.6958819 -0.1622159     1.026229  1.048960       0.9468126 -2.542316      4.968654  
1 1 1 19 40 8  o 25.82695 1.863388  6.580344       0.9160580 5.489103       1.106934  8.951834       1.631819  -6.047012      3.726776  
1 1 1 19 40 9  o 24.91688 2.296984  7.341748       1.022233  8.454332       1.301997  5.553772       1.650534  6.690449       4.593968  
1 1 1 19 40 10 o 20.47553 3.262116  6.301809       1.249991  7.155036       1.441188  3.710885       2.511398  9.971073       6.524232  
1 1 1 19 40 11 o 11.04381 3.002526  1.243321       0.9725219 0.4435553      1.307565  2.233491       1.454912  -3.856440      6.005053  
1 1 1 19 40 12 o 13.15515 3.135539  2.490579       0.9840692 2.247835       1.430315  2.708761       1.356023  -1.278782      6.271078  
1 1 1 19 41 0  o 33.73162 1.893772  11.62980       1.239113  9.064215       1.650458  14.94393       1.875840  0.000000       0.000000  
1 1 1 19 41 1  o 18.68649 2.074986  3.818932       0.7280163 2.733811       1.050353  4.822226       1.009975  -5.883306      4.149972  
1 1 1 19 41 2  o 11.63247 2.512332  1.399295       0.8061266 2.515721       0.9922498 -0.7681862     1.382559  6.989158       5.024664  
1 1 1 19 41 3  o 12.12223 2.427093  1.528039       0.6751514 0.6079975      0.9401373 2.507838       0.9701884 -6.017869      4.854185  
1 1 1 19 41 4  o 9.979970 2.549883  0.6910319      0.7229751 1.731307       1.068126  -0.1885290     0.9821579 4.984523       5.099766  
1 1 1 19 41 5  o 22.51780 1.996369  5.365626       0.8600136 5.544455       1.448560  5.268279       1.068758  0.1732960      3.992738  
1 1 1 19 41 6  o 17.09149 2.216488  3.261644       0.7335038 2.884618       1.077253  3.587537       1.001542  -2.456780      4.432977  
1 1 1 19 41 7  o 9.450710 2.591282  0.4720155      0.7774848 -0.5099726     1.076466  1.542913       1.124142  -4.479102      5.182563  
1 1 1 19 41 8  f 9.146724 2.546859  0.6252380      0.7561466 1.246070       0.9058847 -0.8010738     1.373072  2.793982       5.093718  
1 1 1 19 41 9  o 15.11164 3.487969  2.996783       1.163454  2.652563       1.429771  3.671459       2.001684  -1.719996      6.975937  
1 1 1 19 41 10 o 8.973481 3.890958  0.3748434      1.291336  0.3748434      1.291336  ?              ?         ?              ?         
1 1 1 19 41 11 o 15.09945 4.589965  3.238216       1.508756  3.238216       1.508756  ?              ?         ?              ?         
1 1 1 19 42 0  o 13.20477 3.844932  2.329280       0.9242061 1.900845       1.087562  3.442830       1.753342  0.000000       0.000000  
1 1 1 19 42 1  o 20.25126 1.954904  4.343877       0.7859121 4.492354       1.062127  4.164218       1.168345  0.9157658      3.909808  
1 1 1 19 42 2  o 12.95226 2.690208  1.909133       0.7570661 1.452349       1.064187  2.377191       1.077239  -2.869207      5.380415  
1 1 1 19 42 3  o 18.74252 2.147502  3.783478       0.8045818 3.751350       1.118481  3.817931       1.158263  -0.1269608     4.295004  
1 1 1 19 42 4  o 24.48352 1.799599  6.495828       0.8366909 6.933843       1.056897  5.760461       1.369432  2.741898       3.599198  
1 1 1 19 42 5  o 16.26543 2.423634  3.026293       0.7634280 3.180229       1.087608  2.876781       1.071865  0.9045353      4.847267  
1 1 1 19 42 6  o 39.00866 1.326149  15.93521       1.013956  16.97237       1.337882  14.53552       1.554214  3.317856       2.652298  
1 1 1 19 42 7  o 33.07468 1.437598  11.36001       0.9202256 11.12847       1.159496  11.75405       1.512573  -0.5521507     2.875197  
1 1 1 19 42 8  o 23.54292 3.337759  8.014675       1.145777  8.456068       1.257024  5.846889       2.785736  9.304119       6.675519  
1 1 1 19 42 9  f 10.28361 3.175090  0.6544029      1.242886  0.2930061      1.839480  0.9579902      1.685950  -0.6801739     6.350180  
1 1 1 19 42 10 o 31.15192 1.857966  10.70505       1.114822  14.49899       1.638963  7.438251       1.520847  11.10364       3.715932  
1 1 1 19 43 0  o 28.53307 2.106847  8.701785       1.176558  8.394697       1.604302  9.059163       1.730684  0.000000       0.000000  
1 1 1 19 43 1  o 20.40302 2.345355  4.548523       0.8828404 4.914004       1.527237  4.365104       1.081923  0.3427505      4.690709  
1 1 1 19 43 2  o 24.76011 1.641963  6.526486       0.8010188 5.499934       1.161522  7.457463       1.106130  -4.013681      3.283926  
1 1 1 19 43 3  o 14.96662 2.532920  2.607119       0.7483677 2.441341       1.089577  2.755166       1.029666  -1.089709      5.065839  
1 1 1 19 43 4  o 7.616716 2.361387  -0.1581941     0.7101362 0.3979008      1.010311  -0.7012140     0.9983636 1.953598       4.722775  
1 1 1 19 43 5  o 16.45084 2.445899  3.154039       0.7782133 3.380395       1.067861  2.897666       1.136459  1.597443       4.891798  
1 1 1 19 43 6  o 27.86458 1.532105  8.149340       0.8524199 7.552853       1.174054  8.814316       1.239625  -2.184198      3.064209  
1 1 1 19 43 7  o 13.49796 3.251473  2.274347       0.9698939 2.145769       1.125909  2.644257       1.909715  -0.7480793     6.502947  
1 1 1 19 43 8  o 11.23902 3.166037  1.400348       1.058655  1.173188       1.396590  1.707187       1.623153  -1.233294      6.332074  
1 1 1 19 43 9  o 20.24065 2.791212  5.153084       1.098458  5.781452       1.504291  4.435287       1.607776  3.956083       5.582424  
1 1 1 19 43 10 o 10.11097 2.996443  0.8867311      1.064671  -0.3895506E-01 1.459586  1.939319       1.556420  -3.314642      5.992887  
1 1 1 19 44 0  o 6.530608 3.059979  -0.6109102     1.182945  0.8531407      1.393258  -4.392198      2.239099  0.000000       0.000000  
1 1 1 19 44 1  o 9.598226 2.671438  0.7819098      0.7513008 0.6584731      1.021518  0.9273536      1.108846  -0.8210812     5.342876  
1 1 1 19 44 2  o 28.93513 1.431428  8.820263       0.8185456 7.794103       1.201531  9.708955       1.118157  -3.395779      2.862856  
1 1 1 19 44 3  o 12.15496 3.065291  1.596299       0.9419982 2.484309       1.494512  1.010962       1.213372  3.711551       6.130583  
1 1 1 19 44 4  o 10.31900 2.817294  1.055012       0.8221729 1.139909       1.094717  0.9451666      1.245225  0.2307301      5.634588  
1 1 1 19 44 5  o 8.141595 2.505549  0.1323585      0.7697409 0.3589644      1.047778  -0.1333332     1.134548  0.6209683      5.011099  
1 1 1 19 44 6  o 10.47273 3.100780  0.5718517      1.002747  -0.2587853E-01 1.182565  2.101323       1.891659  -4.728610      6.201560  
1 1 1 19 44 7  o 17.70987 2.844033  4.088256       0.9834868 4.544524       1.236522  3.302620       1.622567  4.581262       5.688067  
1 1 1 19 44 8  o 13.13890 3.242850  2.027682       1.123059  0.7256784      1.453013  3.959674       1.769971  -6.759249      6.485699  
1 1 1 19 44 9  o 12.96064 3.298860  2.492585       1.091883  2.556616       1.442994  2.406813       1.670091  0.5808077      6.597721  
1 1 1 19 45 0  o 41.03031 1.635329  17.51337       1.331562  18.02616       1.861222  16.97573       1.905796  0.000000       0.000000  
1 1 1 19 45 1  o 38.53979 1.288128  15.51783       0.9836787 16.37153       1.329765  14.48609       1.461862  2.583050       2.576255  
1 1 1 19 45 2  f 24.47607 2.016650  6.739654       0.9392290 7.285941       1.198280  5.869349       1.512459  3.415012       4.033300  
1 1 1 19 45 3  o 11.79964 2.825069  1.677651       0.7847344 1.613867       1.017986  1.771063       1.231935  -0.4320211     5.650139  
1 1 1 19 45 4  o 9.381851 2.856696  0.2954141      1.043350  -1.283018      1.752921  1.161399       1.298388  -2.384470      5.713393  
1 1 1 19 45 5  o 18.88359 3.003029  4.643399       1.138452  5.567333       1.545945  3.548680       1.682771  5.780324       6.006059  
1 1 1 19 45 6  o 21.37800 2.765262  5.668621       1.125710  8.258731       1.633542  3.326226       1.553464  11.40349       5.530525  
1 1 1 19 45 7  o 12.52886 3.251383  2.211553       1.070681  2.313478       1.479395  2.099448       1.551523  0.5203323      6.502766  
1 1 1 19 45 8  o 16.96199 3.072303  3.955258       1.114033  5.893986       1.665530  2.385641       1.498618  8.371918       6.144607  
1 1 1 19 46 0  o 7.290428 3.545806  -0.7829285     1.270243  -1.503133      1.467297  1.371262       2.537652  0.000000       0.000000  
1 1 1 19 46 1  o 8.347653 2.627949  -0.1035613     0.9000929 0.5055225      1.302220  -0.6607596     1.245520  1.872391       5.255897  
1 1 1 19 46 2  o 40.88522 1.563560  17.62323       1.248477  18.78351       2.016131  16.90158       1.590013  1.663216       3.127120  
1 1 1 19 46 3  o 23.58862 2.027869  6.164022       0.9521905 7.032251       1.413275  5.442275       1.288552  3.116840       4.055737  
1 1 1 19 46 4  o 34.27202 2.305051  14.05570       1.425951  15.32365       1.752555  11.57219       2.452753  6.967663       4.610102  
1 1 1 19 46 5  o 9.480194 2.874271  0.6293825      0.9401643 0.6722320      1.154204  0.5448921      1.620738  -0.6276083     5.748542  
1 1 1 19 46 6  o 10.45355 3.173239  1.128279       1.169983  1.532391       1.851851  0.8598130      1.509384  1.322728       6.346479  
1 1 1 19 47 0  o 9.257159 4.000204  0.3933870      1.500173  -1.537744      1.943822  3.237795       2.359101  0.000000       0.000000  
1 1 1 19 47 1  o 13.90433 3.315232  2.584718       1.106110  3.271979       1.625062  1.991463       1.509837  2.949782       6.630463  
1 1 1 19 47 2  o 12.30706 3.110183  1.927510       1.030841  2.732595       1.405495  0.9902535      1.516483  3.867787       6.220366  
1 1 1 19 47 3  o 9.281898 2.882863  0.3242761      1.036607  -0.3014797     1.372864  1.154203       1.581048  -2.497726      5.765725  
1 1 1 19 47 4  f 39.12370 1.940153  16.42221       1.470705  22.03505       2.483673  13.39139       1.825084  9.376930       3.880305  
1 1 1 19 47 5  o 24.10961 2.815181  6.947305       1.274909  9.788332       2.243299  5.591923       1.549460  6.497004       5.630363  
1 1 1 19 48 0  o 8.416424 3.869223  1.007989       1.527462  1.315936       1.964534  0.5372394      2.428937  0.000000       0.000000  
1 1 1 19 48 1  o 15.43895 3.804642  3.522174       1.334154  2.639918       1.574712  5.766384       2.511513  -4.364689      7.609283  
1 1 1 19 48 2  o 10.87876 3.373217  1.091024       1.244713  0.6554838      1.444544  2.346681       2.452744  -2.968879      6.746433  
1 1 1 20 0  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 0  1  o 100.6580 1.331883  101.4476       2.678981  102.1804       3.817852  100.7368       3.760111  0.000000       0.000000  
1 1 1 20 0  2  f 67.43703 1.066585  45.40411       1.434554  42.58488       1.964435  48.62543       2.099861  0.000000       0.000000  
1 1 1 20 0  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 0  4  o 119.3974 2.130059  142.7087       5.072877  147.8338       7.403755  138.1734       6.964629  0.000000       0.000000  
1 1 1 20 0  5  o 80.76103 1.169344  65.32508       1.886965  65.18262       2.661612  65.46905       2.675586  0.000000       0.000000  
1 1 1 20 0  6  o 17.80570 2.980944  4.896147       0.8548845 6.322609       1.027992  1.697705       1.539319  0.000000       0.000000  
1 1 1 20 0  7  o 14.50839 5.993988  2.968927       1.717605  2.968927       1.717605  2.968927       1.717605  0.000000       0.000000  
1 1 1 20 0  8  o 6.584575 3.177026  -0.8926693     1.246635  -1.740660      1.983892  -0.3393471     1.602549  0.000000       0.000000  
1 1 1 20 0  9  o 38.94067 2.005023  15.49184       1.521499  15.03495       2.342148  15.82542       2.001283  0.000000       0.000000  
1 1 1 20 0  10 o 10.56595 4.079063  1.183872       1.268488  2.698561       2.033476  0.2190014      1.622975  0.000000       0.000000  
1 1 1 20 0  11 f 132.6584 2.452236  176.7467       6.490100  180.6596       9.425310  173.2186       8.949905  0.000000       0.000000  
1 1 1 20 0  12 o 11.02987 4.389400  1.273914       1.476201  2.857678       2.399903  0.3099663      1.872300  0.000000       0.000000  
1 1 1 20 0  13 o 39.57426 2.210902  15.70550       1.676767  17.42303       2.782667  14.72633       2.101048  0.000000       0.000000  
1 1 1 20 0  14 o 78.39587 1.863786  62.07279       2.900399  61.11917       4.303775  62.86626       3.925799  0.000000       0.000000  
1 1 1 20 0  15 o 13.08301 4.420954  2.443422       1.367883  3.663616       2.108903  1.557248       1.797221  0.000000       0.000000  
1 1 1 20 0  16 o 16.30639 3.543140  3.572822       1.466831  -0.3633502E-02 2.160929  6.628825       1.997519  0.000000       0.000000  
1 1 1 20 0  17 o 24.10960 4.113828  6.655865       1.639063  8.243813       2.878090  5.893641       1.994010  0.000000       0.000000  
1 1 1 20 0  18 o 12.57434 4.904165  2.254302       1.536218  3.618586       3.184672  1.840579       1.753748  0.000000       0.000000  
1 1 1 20 0  19 o 15.50462 4.540065  4.227657       1.730364  1.352981       3.289764  5.327147       2.034539  0.000000       0.000000  
1 1 1 20 0  20 o 11.01622 4.567074  2.006724       1.595758  2.961166       2.683912  1.484830       1.984655  0.000000       0.000000  
1 1 1 20 0  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 1  0  o 141.2416 1.757307  199.7481       4.959939  197.9961       6.944083  201.5730       7.086924  0.000000       0.000000  
1 1 1 20 1  1  o 119.4188 1.159359  142.8739       2.746609  144.2911       3.668614  141.0664       4.143108  1.356812       2.318719  
1 1 1 20 1  2  o 127.8394 1.138244  163.4713       2.909689  165.1558       4.163675  161.8634       4.067842  1.286331       2.276487  
1 1 1 20 1  3  o 252.8750 3.066997  641.7335       15.51032  637.0178       21.78449  646.5815       22.08850  -1.878220      6.133995  
1 1 1 20 1  4  o 238.7151 2.210907  569.7583       10.41711  563.4388       13.63440  578.6205       16.14606  -3.098755      4.421814  
1 1 1 20 1  5  o 78.64807 0.9352170 61.86545       1.470538  62.39859       2.111752  61.36354       2.048977  0.6570816      1.870434  
1 1 1 20 1  6  o 26.84910 1.124691  7.236954       0.6000571 6.989275       0.8922780 7.441455       0.8107818 -0.8437977     2.249382  
1 1 1 20 1  7  o 79.31190 1.728426  63.04621       2.740345  63.70587       3.827820  62.35267       3.924870  0.8569870      3.456852  
1 1 1 20 1  8  o 30.60569 1.594365  9.486151       0.9598004 11.46626       1.357959  7.509512       1.356768  6.464027       3.188729  
1 1 1 20 1  9  o 66.78668 1.661771  44.65300       2.219684  44.65300       2.219684  ?              ?         ?              ?         
1 1 1 20 1  10 o 27.89107 1.849353  7.781557       1.026345  6.742456       1.412798  8.942768       1.493506  -3.939562      3.698706  
1 1 1 20 1  11 o 83.87394 1.328540  70.39992       2.226840  68.44724       3.075521  72.55169       3.228499  -2.438919      2.657080  
1 1 1 20 1  12 o 29.73809 1.949690  8.752893       1.148679  7.823028       1.503977  10.05470       1.779523  -3.718157      3.899381  
1 1 1 20 1  13 o 25.72073 3.100116  0.000000       0.000000  ?              ?         6.696531       1.594744  ?              ?         
1 1 1 20 1  14 o 9.426270 2.863530  -0.1033201     0.9787384 -0.4349855     1.357377  0.2558615      1.412562  -1.329271      5.727060  
1 1 1 20 1  15 o 23.67417 2.166925  5.735927       1.023563  5.278126       1.445063  6.196875       1.450022  -1.938616      4.333849  
1 1 1 20 1  16 o 23.55437 2.471773  6.017076       1.090898  7.271922       1.480431  4.526144       1.613695  6.210474       4.943546  
1 1 1 20 1  17 o 9.829039 2.967366  0.6321783E-01  1.044920  -0.4071291     1.445096  0.5786010      1.512700  -1.798457      5.934732  
1 1 1 20 1  18 f 20.42946 2.849541  4.646043       1.121053  4.512184       1.534949  4.799075       1.641196  -0.5679092     5.699083  
1 1 1 20 1  19 o 9.187262 2.901306  -0.2466190     1.090281  -0.3606706     1.554338  -0.1361492     1.529736  -0.2398844     5.802612  
1 1 1 20 1  20 o 11.54368 3.285918  1.232340       1.183873  0.6936036      1.669568  1.777161       1.678969  -1.942731      6.571837  
1 1 1 20 1  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 2  0  o 186.3947 2.276393  347.9702       8.479072  344.1036       11.86062  352.0119       12.12623  0.000000       0.000000  
1 1 1 20 2  1  o 185.5429 1.732601  342.7590       6.321694  334.7822       8.178263  354.6009       9.964503  -5.302917      3.465202  
1 1 1 20 2  2  o 29.94169 0.9712065 8.985760       0.5804403 8.544785       0.8331252 9.401701       0.8091336 -1.431274      1.942413  
1 1 1 20 2  3  o 122.1911 1.549168  146.6661       3.726773  164.8544       5.930510  134.7962       4.790905  12.27527       3.098336  
1 1 1 20 2  4  o 111.7058 1.310477  123.8098       2.906706  104.6398       3.932821  146.8879       4.315133  -18.90311      2.620954  
1 1 1 20 2  5  o 142.8542 1.547605  203.6936       4.143733  206.0329       7.282245  202.5735       5.039048  1.154877       3.095210  
1 1 1 20 2  6  o 99.86320 1.209493  100.6946       2.393927  90.15257       3.501554  109.9465       3.280313  -9.915565      2.418986  
1 1 1 20 2  7  o 39.49939 1.987679  16.15852       1.516242  18.45669       2.001040  13.06002       2.323488  6.846046       3.975358  
1 1 1 20 2  8  o 73.57618 1.187316  54.09450       1.743497  52.82146       2.378280  55.57352       2.563477  -1.864685      2.374632  
1 1 1 20 2  9  o 50.93666 1.261652  25.96068       1.280823  25.77339       1.737392  26.18364       1.895652  -0.3971252     2.523303  
1 1 1 20 2  10 o 10.64682 2.980008  0.6240828      0.9352361 0.6755155      1.239572  0.5561143      1.424970  -0.3044481     5.960017  
1 1 1 20 2  11 o 138.9954 1.802385  193.6473       5.006572  199.9902       7.257647  187.8884       6.915464  4.329163       3.604771  
1 1 1 20 2  12 o 120.9237 1.637516  146.6051       3.955322  153.5752       5.772988  140.4384       5.430087  5.396027       3.275032  
1 1 1 20 2  13 o 108.7349 1.522857  118.8462       3.309016  116.8174       4.572277  121.0774       4.794973  -1.928062      3.045714  
1 1 1 20 2  14 f 43.98021 1.433704  19.58024       1.249515  20.46966       1.681354  18.48307       1.867419  2.287193       2.867408  
1 1 1 20 2  15 o 26.46021 2.059450  7.051157       1.082769  6.244036       1.439054  8.104326       1.643832  -3.443729      4.118899  
1 1 1 20 2  16 o 34.94575 1.680299  12.35818       1.169206  11.81321       1.568464  13.03977       1.754076  -1.688881      3.360598  
1 1 1 20 2  17 o 34.06115 1.761444  11.82461       1.194314  10.33348       1.630992  13.54857       1.753706  -4.658964      3.522887  
1 1 1 20 2  18 o 19.43634 2.930474  4.241694       1.102651  4.151657       1.505852  4.345779       1.619064  -0.3531189     5.860948  
1 1 1 20 2  19 o 20.40524 3.000094  4.868139       1.171334  4.990856       1.535361  4.697258       1.811778  1.193562       6.000189  
1 1 1 20 2  20 o 8.190020 2.802937  -1.977692      1.323084  -2.469743      2.316028  -1.739314      1.612022  1.227646       5.605875  
1 1 1 20 2  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 3  0  o 12.32152 3.062640  1.994015       0.7823778 3.071335       1.134331  1.016470       1.080528  0.000000       0.000000  
1 1 1 20 3  1  f 151.2175 1.429674  229.1130       4.290919  231.1700       5.739417  226.5063       6.461025  1.554901       2.859348  
1 1 1 20 3  2  o 43.52718 0.7895317 18.80872       0.6847018 21.04871       1.018635  16.96247       0.9247835 4.692917       1.579063  
1 1 1 20 3  3  o 36.48653 0.9191956 13.34131       0.6693406 12.85011       0.9673754 13.79245       0.9270900 -1.291862      1.838391  
1 1 1 20 3  4  o 130.0030 1.377995  171.7319       3.521052  187.6043       4.710514  151.6338       5.300592  13.84644       2.755991  
1 1 1 20 3  5  o 49.05701 0.9392765 25.87769       0.8505728 18.37452       1.373493  30.54520       1.083294  -12.40891      1.878553  
1 1 1 20 3  6  o 105.1443 1.123399  110.3972       2.357111  113.9295       3.471827  107.3768       3.210415  3.110435       2.246797  
1 1 1 20 3  7  o 40.14600 1.022272  16.16402       0.8138178 15.84565       1.227489  16.41373       1.087084  -0.7109489     2.044545  
1 1 1 20 3  8  o 27.94564 1.702210  7.623726       0.9388571 6.520695       1.216316  9.249668       1.476744  -4.871492      3.404420  
1 1 1 20 3  9  o 115.2108 1.540909  132.9887       3.549534  133.0475       4.960417  132.9270       5.081366  0.5758667E-01  3.081818  
1 1 1 20 3  10 o 29.61551 1.705691  8.879245       0.9908033 9.273243       1.297846  8.328828       1.533987  1.607763       3.411382  
1 1 1 20 3  11 o 106.6358 1.480237  114.0190       3.156172  116.2038       4.447278  111.8019       4.479904  2.065933       2.960474  
1 1 1 20 3  12 o 44.74525 1.438839  20.16157       1.271203  20.52172       1.677940  19.67640       1.947540  0.9694977      2.877678  
1 1 1 20 3  13 o 44.81371 1.426867  20.21640       1.264997  20.37849       1.674264  20.00078       1.931036  0.4550819      2.853733  
1 1 1 20 3  14 o 20.74407 2.575992  4.232038       1.017458  2.895804       1.299212  6.351275       1.636172  -8.502674      5.151983  
1 1 1 20 3  15 o 28.45179 1.857866  8.104867       1.044909  7.444670       1.358409  9.061579       1.635252  -2.751801      3.715732  
1 1 1 20 3  16 o 41.76663 1.532516  17.81901       1.269215  20.08459       1.773548  15.44071       1.817129  5.573299       3.065032  
1 1 1 20 3  17 o 11.61356 3.186136  0.7826874      1.087736  -0.1055745E-01 1.417848  1.917397       1.695775  -4.352665      6.372272  
1 1 1 20 3  18 o 27.10148 2.231439  7.500528       1.171843  5.291290       1.534063  10.59579       1.815809  -9.558172      4.462879  
1 1 1 20 3  19 o 14.45507 3.073469  2.028126       1.110693  0.2766690      1.465831  4.389457       1.702011  -9.462250      6.146937  
1 1 1 20 3  20 o 16.66133 4.304147  4.103899       1.907870  4.796511       2.568814  3.251847       2.849184  2.722812       8.608294  
1 1 1 20 3  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 4  0  o 86.35762 1.453491  75.28815       2.401062  72.76368       3.986384  76.72542       3.007877  0.000000       0.000000  
1 1 1 20 4  1  o 33.12912 0.9506078 10.96503       0.6293814 10.62872       0.8696556 11.33491       0.9120136 -1.065304      1.901216  
1 1 1 20 4  2  o 12.69836 2.136632  1.709234       0.5387642 1.328489       0.7988384 2.026926       0.7297019 -2.588262      4.273264  
1 1 1 20 4  3  o 77.69297 0.9191653 60.38618       1.428158  59.94520       2.026543  60.82129       2.012967  -0.5639954     1.838331  
1 1 1 20 4  4  o 84.79356 1.101308  71.80489       1.830860  72.59817       2.898175  71.27805       2.361821  0.7695923      2.202617  
1 1 1 20 4  5  o 60.11325 0.7755902 35.63635       0.8908693 37.84903       1.522052  34.48330       1.098739  2.793922       1.551180  
1 1 1 20 4  6  o 29.85300 0.9004837 8.935822       0.4877365 8.868817       0.9045182 8.963292       0.5791470 -0.1637993     1.800967  
1 1 1 20 4  7  o 88.45489 1.729475  78.32399       3.059611  78.32399       3.059611  ?              ?         ?              ?         
1 1 1 20 4  8  o 186.4489 2.121827  344.2368       7.600509  333.1054       9.438897  364.7645       12.81793  -8.310089      4.243654  
1 1 1 20 4  9  o 135.8929 1.765345  183.5090       4.760886  172.9146       6.284533  197.7778       7.293360  -9.096924      3.530690  
1 1 1 20 4  10 o 82.24928 1.289990  67.57242       2.112777  65.89046       2.842622  69.64836       3.158044  -2.270813      2.579980  
1 1 1 20 4  11 o 84.76222 1.323824  71.52969       2.223790  68.76418       2.928887  75.29395       3.417083  -3.825447      2.647649  
1 1 1 20 4  12 o 121.4811 3.433729  0.000000       0.000000  ?              ?         149.1763       8.342660  ?              ?         
1 1 1 20 4  13 o 63.25938 1.323296  40.10176       1.655545  39.53799       2.177294  40.87444       2.548985  -1.010323      2.646592  
1 1 1 20 4  14 o 37.24126 1.608456  14.17793       1.144624  14.68795       1.436965  13.29256       1.893303  1.954048       3.216912  
1 1 1 20 4  15 o 21.17622 2.355865  4.533788       0.9775414 4.249424       1.246695  4.987691       1.575088  -1.604559      4.711730  
1 1 1 20 4  16 o 19.69318 2.835301  4.140994       1.074364  3.663377       1.430519  4.758950       1.627167  -2.634045      5.670603  
1 1 1 20 4  17 o 47.03830 1.522811  22.64574       1.425364  24.07603       1.964034  21.05415       2.071820  3.258949       3.045623  
1 1 1 20 4  18 o 21.14816 2.805927  5.182446       1.117487  6.351275       1.474191  3.603574       1.713371  6.980431       5.611855  
1 1 1 20 4  19 o 16.64842 2.661393  3.238309       1.076603  5.925511       1.479954  0.2178446      1.569043  13.55824       5.322786  
1 1 1 20 4  20 o 12.89788 3.888730  1.099537       1.887559  3.319017       2.709121  -0.9944175     2.631397  4.902020       7.777460  
1 1 1 20 4  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 5  0  o 49.55322 1.100007  24.71755       1.082348  23.65693       1.591823  25.62952       1.476066  0.000000       0.000000  
1 1 1 20 5  1  o 194.1628 1.817134  377.7269       6.989033  375.4680       10.62808  379.4480       9.277067  -1.057159      3.634269  
1 1 1 20 5  2  o 253.2375 2.341655  642.8328       11.74174  641.4093       17.90282  643.9072       15.55440  -0.5684814     4.683309  
1 1 1 20 5  3  o 99.57452 1.009476  98.96761       1.986939  100.6430       3.063999  97.75175       2.610159  1.445221       2.018951  
1 1 1 20 5  4  o 161.6812 1.456053  262.5007       4.577912  257.9587       7.362329  265.3638       5.845329  -2.323624      2.912106  
1 1 1 20 5  5  o 140.9580 1.343760  197.5000       3.709613  205.4838       5.929363  192.3650       4.755204  4.625824       2.687520  
1 1 1 20 5  6  o 70.24948 0.9146875 50.27379       1.152058  47.32748       2.149210  51.46171       1.364684  -2.956367      1.829375  
1 1 1 20 5  7  o 63.38314 1.062932  39.20484       1.328139  46.37249       2.107135  34.48022       1.710754  9.370689       2.125863  
1 1 1 20 5  8  o 110.5264 1.439721  121.8528       3.175747  130.1924       4.680367  114.7373       4.323232  6.978500       2.879443  
1 1 1 20 5  9  o 95.29295 1.364530  90.88541       2.593923  90.10223       3.536592  91.79725       3.816050  -0.8781967     2.729060  
1 1 1 20 5  10 f 101.3027 1.437561  102.7794       2.911052  107.5691       4.161101  98.18822       4.073980  4.625870       2.875122  
1 1 1 20 5  11 o 52.68629 1.327152  28.05836       1.382543  29.77818       1.857419  25.92177       2.070278  3.671638       2.654304  
1 1 1 20 5  12 o 104.8056 2.149816  110.5392       4.482503  108.5261       6.013303  113.0567       6.724602  -2.061760      4.299633  
1 1 1 20 5  13 o 59.09485 1.298799  34.99570       1.520068  34.48488       2.007269  35.68252       2.327508  -0.9737015     2.597598  
1 1 1 20 5  14 o 41.27028 1.452221  16.99239       1.178129  16.33925       1.518421  17.98032       1.867475  -1.929810      2.904441  
1 1 1 20 5  15 o 52.17879 1.327071  26.67633       1.348190  24.24095       1.691791  30.91419       2.231700  -6.263508      2.654142  
1 1 1 20 5  16 o 21.53842 2.397885  4.629957       1.000620  4.165112       1.244535  5.479847       1.682806  -2.829855      4.795770  
1 1 1 20 5  17 o 19.57635 2.905174  3.691630       1.108564  2.229977       1.362247  6.557360       1.907443  -10.59390      5.810348  
1 1 1 20 5  18 o 14.27048 3.203069  1.963447       1.057833  1.003315       1.343453  3.529953       1.716023  -6.427528      6.406138  
1 1 1 20 5  19 o 23.85945 2.451878  6.156834       1.159844  5.513348       1.522784  7.045917       1.789947  -2.830925      4.903756  
1 1 1 20 5  20 o 9.966192 3.346998  -1.496611      1.778025  -0.5565023     2.705573  -2.211257      2.358934  1.882900       6.693996  
1 1 1 20 5  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 6  0  o 131.3933 1.676203  172.8820       4.400570  173.7994       6.300265  172.0081       6.149178  0.000000       0.000000  
1 1 1 20 6  1  o 79.75807 0.9093298 63.54170       1.426659  64.13947       2.234056  63.13005       1.853906  0.6281128      1.818660  
1 1 1 20 6  2  o 159.8715 1.654187  256.4041       4.798083  254.5904       8.898567  257.1475       5.697221  -0.8725128     3.308374  
1 1 1 20 6  3  o 60.70913 0.8660060 34.11810       0.8891498 42.11868       1.931391  31.96645       1.001601  8.349709       1.732012  
1 1 1 20 6  4  o 77.93278 1.025277  60.51276       1.545102  61.73880       2.544379  59.79651       1.944742  1.236481       2.050555  
1 1 1 20 6  5  o 66.12483 0.8425910 43.57044       1.108899  45.39296       1.665574  42.11943       1.486157  2.472519       1.685182  
1 1 1 20 6  6  o 32.37007 0.8833990 10.61246       0.5233665 10.15960       0.9473110 10.81141       0.6278925 -1.012506      1.766798  
1 1 1 20 6  7  o 86.85945 1.447151  74.74892       2.157473  77.13945       4.406454  73.99516       2.474342  1.741615       2.894303  
1 1 1 20 6  8  o 98.31123 1.307204  96.69070       2.569129  99.60062       3.700267  93.98232       3.569836  2.853027       2.614408  
1 1 1 20 6  9  o 111.2172 1.194700  123.5880       2.654549  129.6116       3.864305  118.2056       3.652815  5.120216       2.389401  
1 1 1 20 6  10 o 85.04633 1.167511  72.27163       1.881296  71.94995       2.313152  72.90014       3.233365  -0.5223312     2.335023  
1 1 1 20 6  11 o 88.52946 1.352674  78.39265       2.385352  76.83765       3.217436  80.29051       3.554484  -1.929924      2.705348  
1 1 1 20 6  12 o 20.42694 4.318400  4.111664       1.693655  3.891243       1.937432  4.825952       3.487681  -2.547432      8.636801  
1 1 1 20 6  13 o 31.07965 1.758298  9.312085       1.046585  8.362560       1.279857  11.22855       1.818271  -4.518377      3.516595  
1 1 1 20 6  14 o 12.78899 3.086070  1.591136       0.9287056 1.786130       1.134374  1.194772       1.617306  0.6800318      6.172139  
1 1 1 20 6  15 o 17.36057 2.879787  3.313725       0.9646485 3.528299       1.223726  2.961545       1.567754  1.720901       5.759575  
1 1 1 20 6  16 o 10.29922 2.979499  0.4592441      0.9949960 0.9584743      1.248012  -0.4116491     1.648355  1.296847       5.958998  
1 1 1 20 6  17 o 20.69378 2.726442  4.710380       1.053281  4.970557       1.324375  4.262578       1.737481  2.392855       5.452885  
1 1 1 20 6  18 o 12.72605 3.150856  1.691500       0.9753970 1.891313       1.194592  1.291834       1.689494  0.8229322      6.301712  
1 1 1 20 6  19 o 22.27565 2.909329  5.591019       1.253958  7.443731       1.923767  4.222324       1.653491  7.096083       5.818657  
1 1 1 20 6  20 o 10.91162 5.018879  -0.2239552     2.529963  -0.2239552     2.529963  ?              ?         ?              ?         
1 1 1 20 6  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 7  0  o 206.9209 3.103944  425.3951       11.96687  418.2357       14.45119  441.0171       21.34665  0.000000       0.000000  
1 1 1 20 7  1  o 86.82224 1.238572  0.000000       0.000000  ?              ?         75.40401       2.150713  ?              ?         
1 1 1 20 7  2  o 197.3454 1.752598  392.8831       6.791866  373.4962       10.52099  406.7350       8.893197  -8.462372      3.505196  
1 1 1 20 7  3  o 157.3557 1.418700  249.0245       4.354080  242.2623       6.927576  253.4400       5.597956  -3.579880      2.837401  
1 1 1 20 7  4  f 56.78018 0.8768980 32.67487       0.9617997 30.54394       1.551383  34.00522       1.225798  -3.052605      1.753796  
1 1 1 20 7  5  o 92.67328 1.023916  85.90896       1.897543  84.17911       2.660199  87.70085       2.707487  -1.899178      2.047832  
1 1 1 20 7  6  o 67.40048 0.8706903 43.91573       1.147780  52.88570       1.879048  38.57692       1.449654  10.60653       1.741381  
1 1 1 20 7  7  o 42.87125 1.148239  18.47139       0.9802329 20.12550       1.371760  16.74545       1.401227  3.942944       2.296479  
1 1 1 20 7  8  o 86.24118 1.518323  73.25057       2.417482  77.74347       4.419382  71.33211       2.887853  3.657066       3.036645  
1 1 1 20 7  9  o 47.10764 0.9567402 22.00291       0.8833960 21.22234       1.132053  23.21840       1.412655  -2.110321      1.913480  
1 1 1 20 7  10 o 51.05135 0.9236816 26.38610       0.9252317 27.86745       1.217309  24.35965       1.423763  3.442123       1.847363  
1 1 1 20 7  11 o 11.20882 2.672947  0.9903932      0.8202693 -0.3733195     1.254176  2.009776       1.084341  -5.357991      5.345893  
1 1 1 20 7  12 o 19.08766 4.410286  3.225779       1.714965  2.722648       1.964986  4.834098       3.513220  -5.279760      8.820572  
1 1 1 20 7  13 o 32.92026 2.064780  10.71869       1.329274  9.862167       1.684099  12.13416       2.164956  -3.351618      4.129560  
1 1 1 20 7  14 o 18.55169 2.777295  3.529688       0.9442465 3.295391       1.140155  4.041254       1.684737  -1.697639      5.554591  
1 1 1 20 7  15 o 26.46362 1.938009  7.162858       0.9754785 7.217994       1.209363  7.060186       1.650304  0.4522190      3.876019  
1 1 1 20 7  16 o 23.25588 2.579147  5.845440       1.091454  6.155371       1.352168  5.265907       1.849002  2.539522       5.158295  
1 1 1 20 7  17 o 14.34031 3.306215  2.161789       1.067057  1.926799       1.364225  2.532120       1.712598  -1.746961      6.612430  
1 1 1 20 7  18 o 9.988683 2.552421  0.7406936      0.5544094 1.463388       1.225651  0.5547838      0.6216424 3.938398       5.104843  
1 1 1 20 7  19 o 35.36546 1.633723  12.52607       0.9627955 14.11048       2.078052  12.09299       1.086440  1.907589       3.267447  
1 1 1 20 7  20 o 11.99463 3.403162  0.9849856      0.6796302 3.100636       2.778964  0.8503972      0.7009144 5.973567       6.806323  
1 1 1 20 7  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 8  0  o 25.12888 1.808068  6.508643       0.8285099 6.524139       1.465910  6.501369       1.004298  0.000000       0.000000  
1 1 1 20 8  1  o 139.5635 1.474315  193.7774       3.688494  197.6034       7.024960  192.3212       4.333959  1.836395       2.948630  
1 1 1 20 8  2  o 56.60091 0.7604838 31.97900       0.8358419 32.31608       1.358884  31.77385       1.060103  0.4756470      1.520968  
1 1 1 20 8  3  o 63.38927 0.7795998 40.35590       0.9592034 39.50718       1.548638  40.88417       1.221779  -1.090073      1.559200  
1 1 1 20 8  4  o 40.98283 0.9418200 17.16717       0.6806667 16.02810       1.300947  17.59652       0.7987128 -1.921413      1.883640  
1 1 1 20 8  5  o 78.85876 0.8939345 62.14438       1.398824  62.76476       2.119943  61.66598       1.861608  0.6922302      1.787869  
1 1 1 20 8  6  o 87.20480 0.9320707 76.32738       1.609536  74.32935       2.437437  77.87224       2.143283  -2.037758      1.864141  
1 1 1 20 8  7  o 77.18645 1.145788  58.58863       1.650238  56.82207       1.987274  62.51276       2.961856  -3.658592      2.291576  
1 1 1 20 8  8  o 66.18388 1.267365  43.82977       1.677582  43.82977       1.677582  ?              ?         ?              ?         
1 1 1 20 8  9  o 47.56197 1.131016  22.88005       1.064746  20.27067       1.560040  25.15553       1.456811  -5.138958      2.262031  
1 1 1 20 8  10 o 58.19915 1.073655  33.86131       1.238787  34.27887       1.885840  33.54437       1.642981  0.6217766      2.147310  
1 1 1 20 8  11 o 52.91406 0.9628193 28.04117       0.9821977 28.05455       1.234699  28.01812       1.620898  0.5317688E-01  1.925639  
1 1 1 20 8  12 o 35.79705 1.722994  12.89172       1.002684  12.88125       2.191207  12.89449       1.127674  -0.1378860     3.445988  
1 1 1 20 8  13 o 47.87476 1.371045  22.81761       1.255022  23.81367       2.131987  22.28942       1.552517  1.511185       2.742090  
1 1 1 20 8  14 o 13.64811 2.485907  1.946415       0.6557944 2.036550       1.134983  1.901241       0.8034948 0.4681807      4.971814  
1 1 1 20 8  15 o 34.96162 1.139697  12.14121       0.7433292 12.76250       1.329400  11.85862       0.8965830 1.202866       2.279394  
1 1 1 20 8  16 o 18.58586 2.303885  3.848558       0.7748908 2.979853       1.298226  4.329341       0.9658039 -4.088549      4.607770  
1 1 1 20 8  17 o 15.78434 2.601140  2.694140       0.7787860 2.801559       1.313562  2.635914       0.9670873 0.2543764      5.202280  
1 1 1 20 8  18 o 28.73575 1.371753  8.074486       0.6752439 9.129822       1.408487  7.759551       0.7694292 2.051956       2.743505  
1 1 1 20 8  19 o 20.70665 2.507385  4.607735       0.6873807 5.109281       1.878596  4.530206       0.7385999 -0.5885487     5.014769  
1 1 1 20 8  20 o 13.13043 3.535086  0.9860420      0.9313955 4.744094       2.634233  0.4491071      0.9957118 9.115365       7.070171  
1 1 1 20 8  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 9  0  o 325.9861 4.542877  1074.249       25.82842  1056.562       50.76960  1080.425       30.00090  0.000000       0.000000  
1 1 1 20 9  1  o 195.8417 2.062337  386.2467       7.679842  377.6440       12.99752  390.8612       9.519279  -3.479645      4.124674  
1 1 1 20 9  2  o 144.6899 1.377891  210.1408       3.963185  203.4391       5.886506  215.6973       5.360000  -4.247101      2.755782  
1 1 1 20 9  3  o 128.8930 1.196242  166.6098       2.996313  164.6884       4.834763  167.8079       3.817910  -1.229904      2.392484  
1 1 1 20 9  4  o 57.87720 0.9342427 33.19548       1.019837  34.45983       1.781426  32.57909       1.243831  1.615696       1.868485  
1 1 1 20 9  5  o 110.2032 1.117669  121.2214       2.438222  123.6809       3.741561  119.4062       3.214481  1.927597       2.235338  
1 1 1 20 9  6  o 177.1485 1.673110  313.3701       5.840885  320.5519       9.118140  308.3724       7.606382  3.375107       3.346219  
1 1 1 20 9  7  o 21.83460 1.189111  4.682384       0.5035933 5.131967       0.8354005 4.425755       0.6311644 1.611084       2.378223  
1 1 1 20 9  8  o 58.31467 1.395513  31.90200       1.260761  30.74397       1.384095  37.54488       3.055315  -5.768780      2.791025  
1 1 1 20 9  9  o 44.70934 0.9996583 19.95530       0.8712352 19.77645       1.111439  20.24036       1.403155  -0.5093307     1.999317  
1 1 1 20 9  10 o 57.28082 0.9620925 32.67674       1.075903  32.09846       1.373459  33.59520       1.730924  -1.293911      1.924185  
1 1 1 20 9  11 o 15.90356 2.365581  2.488030       0.6709637 2.276534       0.7893884 3.038583       1.273620  -2.194114      4.731162  
1 1 1 20 9  12 o 9.476114 2.666558  -0.1549725     0.8609402 1.348433       1.285259  -1.378630      1.159531  5.413114       5.333116  
1 1 1 20 9  13 o 11.91826 2.918355  1.291161       0.9028613 0.2378647      1.469742  1.929537       1.144205  -3.356669      5.836709  
1 1 1 20 9  14 o 14.18310 2.346721  1.858779       0.6496125 3.332998       1.124754  1.120868       0.7957540 7.255611       4.693443  
1 1 1 20 9  15 o 18.91653 1.922009  3.591634       0.7056817 3.892353       1.165030  3.417361       0.8868937 1.152500       3.844018  
1 1 1 20 9  16 o 60.08185 1.371940  34.65725       1.256273  39.52379       3.079600  33.68574       1.375967  4.348495       2.743881  
1 1 1 20 9  17 o 49.88116 1.069095  23.42009       0.9659742 29.15648       1.884513  21.37575       1.125010  7.569454       2.138189  
1 1 1 20 9  18 o 23.60866 1.746426  5.523077       0.8067087 7.134362       1.313172  4.546411       1.022371  5.276211       3.492851  
1 1 1 20 9  19 o 29.90152 1.626655  7.427060       0.7618656 12.95850       1.948172  6.428388       0.8277889 9.721092       3.253310  
1 1 1 20 9  20 o 18.20425 3.395087  3.203543       0.8459758 6.342135       2.712656  2.865403       0.8903816 4.443712       6.790173  
1 1 1 20 9  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 10 0  o 90.50920 1.434379  82.70238       2.287542  80.75330       4.418722  83.41601       2.673717  0.000000       0.000000  
1 1 1 20 10 1  o 126.8188 1.228169  160.3176       3.070633  164.5388       4.790872  157.3746       4.000326  2.809570       2.456339  
1 1 1 20 10 2  o 98.69093 1.023060  95.86785       1.959761  103.8304       3.237805  91.26408       2.461960  6.353683       2.046120  
1 1 1 20 10 3  o 75.14201 0.7929346 56.47950       1.191435  56.54905       1.701851  56.41264       1.668529  0.9030914E-01  1.585869  
1 1 1 20 10 4  o 78.26367 0.9837228 60.88135       1.380462  62.19209       2.629412  60.38260       1.621979  1.137627       1.967446  
1 1 1 20 10 5  o 110.8356 1.066753  123.4555       2.309045  120.4546       3.663413  125.4335       2.974223  -2.262016      2.133506  
1 1 1 20 10 6  o 85.53636 1.018254  73.03203       1.737506  70.76926       2.359957  75.71041       2.567559  -2.882988      2.036508  
1 1 1 20 10 7  o 75.02663 1.162434  0.000000       0.000000  ?              ?         56.31739       1.744271  ?              ?         
1 1 1 20 10 8  o 30.08602 1.866641  10.96183       0.8925948 13.13535       1.062883  5.761445       1.644073  12.28149       3.733282  
1 1 1 20 10 9  o 61.90540 1.225475  39.96143       1.365703  42.29580       1.638389  34.64640       2.472208  6.210953       2.450950  
1 1 1 20 10 10 o 29.87400 1.829446  8.429822       0.8624260 8.122413       0.9521104 9.834825       2.035484  -2.791882      3.658892  
1 1 1 20 10 11 o 39.14725 1.129105  15.44396       0.8317603 15.61411       1.019634  15.10553       1.438004  0.6779671      2.258210  
1 1 1 20 10 12 f 91.83693 1.106988  84.67463       2.022996  85.53359       2.734954  83.63689       3.006133  1.057510       2.213976  
1 1 1 20 10 13 o 54.17005 1.100932  29.52095       1.180862  28.92783       1.791717  29.97643       1.570119  -0.9934921     2.201865  
1 1 1 20 10 14 o 24.86889 1.485730  6.229278       0.7162195 6.267012       1.167658  6.206518       0.9068517 0.6973457E-01  2.971460  
1 1 1 20 10 15 o 67.71707 1.199668  46.23419       1.624511  47.38718       2.313159  45.11208       2.281969  1.672104       2.399335  
1 1 1 20 10 16 o 66.79251 1.579553  45.84163       2.049198  43.17752       3.261816  47.57870       2.633860  -3.526337      3.159106  
1 1 1 20 10 17 o 30.14222 1.676875  9.570051       0.8782154 8.726276       1.697948  9.878216       1.026131  -2.226027      3.353750  
1 1 1 20 10 18 o 13.38465 2.611210  1.938541       0.6883267 2.126410       1.216255  1.850015       0.8348952 0.8033628      5.222421  
1 1 1 20 10 19 o 13.97939 2.572630  1.935136       0.6679110 3.283077       1.309678  1.461337       0.7764732 5.265641       5.145260  
1 1 1 20 10 20 o 12.67868 3.433740  1.405469       0.8027394 3.412210       2.613328  1.196398       0.8435200 4.838500       6.867481  
1 1 1 20 10 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 11 0  o 71.96508 1.622051  51.88428       2.331983  51.88428       2.331983  51.88428       2.331983  0.000000       0.000000  
1 1 1 20 11 1  o 73.75974 0.7964078 54.35296       1.173947  56.12174       1.701689  52.74670       1.621626  2.286797       1.592816  
1 1 1 20 11 2  o 167.1559 1.577742  278.6783       5.195250  285.8570       8.126273  273.7159       6.756336  3.594193       3.155483  
1 1 1 20 11 3  f 225.4178 1.941799  509.1320       8.754210  510.0699       12.41628  508.2050       12.34467  0.4110870      3.883597  
1 1 1 20 11 4  o 107.1269 1.083094  115.2314       2.307945  110.5779       3.406919  119.1782       3.137550  -4.019905      2.166188  
1 1 1 20 11 5  o 168.9439 1.478812  285.5734       4.993100  292.5865       7.229598  279.1773       6.904251  3.957016       2.957625  
1 1 1 20 11 6  o 40.48863 1.277016  0.000000       0.000000  ?              ?         16.40280       1.034092  ?              ?         
1 1 1 20 11 7  o 92.95961 1.406896  86.62358       2.000053  86.41441       4.738939  86.66892       2.206166  -0.2245941     2.813792  
1 1 1 20 11 8  o 92.33362 0.9499872 85.60184       1.713346  83.99509       2.721046  86.65737       2.205455  -1.456451      1.899974  
1 1 1 20 11 9  o 62.41779 1.021461  39.10774       1.250880  39.57266       1.623880  38.42931       1.961617  0.9275665      2.042923  
1 1 1 20 11 10 o 41.30341 1.145546  16.48868       0.9083599 15.10911       1.116792  19.18540       1.561417  -4.913296      2.291093  
1 1 1 20 11 11 o 12.94294 2.246287  1.956438       0.7054129 3.031826       0.8530443 -0.3693954     1.254522  8.842543       4.492573  
1 1 1 20 11 12 o 35.94083 1.203760  13.49936       0.8030744 14.58711       0.9925036 11.43689       1.366666  4.421837       2.407520  
1 1 1 20 11 13 o 12.98188 2.777566  1.693700       0.7987059 2.256124       1.167002  1.198111       1.095470  3.235945       5.555133  
1 1 1 20 11 14 o 7.991730 2.462471  -0.1899160     0.7439428 0.4525361E-01  1.068574  -0.4111174     1.036353  0.9524779      4.924942  
1 1 1 20 11 15 o 28.40290 1.465876  8.188570       0.8305749 7.550224       1.177853  8.819936       1.171395  -2.237217      2.931752  
1 1 1 20 11 16 o 44.25395 1.618710  19.80895       1.243665  20.22707       2.483164  19.66896       1.436866  0.2209587      3.237420  
1 1 1 20 11 17 o 8.650636 2.541550  0.2681729      0.7341234 -1.245929      1.494286  0.7498899      0.8428535 -1.281286      5.083100  
1 1 1 20 11 18 o 26.59781 1.296791  7.238824       0.6816735 8.601949       0.9727347 5.923413       0.9555585 5.026884       2.593581  
1 1 1 20 11 19 o 10.72005 2.473430  1.234346       0.6488913 0.5990700      0.9328731 1.829835       0.9031883 -3.752165      4.946860  
1 1 1 20 11 20 o 17.38593 4.117389  3.792080       1.411420  3.792080       1.411420  ?              ?         ?              ?         
1 1 1 20 11 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 12 0  o 82.70758 1.715814  68.51875       2.835496  68.51875       2.835496  68.51875       2.835496  0.000000       0.000000  
1 1 1 20 12 1  o 110.6569 1.121551  122.6082       2.456724  121.9559       3.747313  123.1000       3.253458  -0.5268326     2.243103  
1 1 1 20 12 2  o 86.76658 0.9508545 75.62960       1.643269  69.71221       2.365957  81.14447       2.284071  -6.589371      1.901709  
1 1 1 20 12 3  o 13.37672 2.052628  1.865453       0.5478258 1.257264       0.7836735 2.446687       0.7661105 -4.504471      4.105255  
1 1 1 20 12 4  o 138.2097 1.339113  190.9876       3.654925  192.7630       5.646282  189.7072       4.795092  1.080521       2.678226  
1 1 1 20 12 5  o 74.49677 1.043410  55.85505       1.545674  61.04453       2.149313  50.29642       2.224450  7.215775       2.086820  
1 1 1 20 12 6  o 110.2796 1.109443  122.0502       2.431300  118.6278       3.622093  124.8567       3.280052  -2.833641      2.218885  
1 1 1 20 12 7  o 106.4455 1.234353  113.5285       2.482405  113.1684       4.278740  113.7113       3.047787  -0.2959137     2.468706  
1 1 1 20 12 8  o 98.91612 0.9615247 97.71277       1.898598  94.68679       2.591489  101.2188       2.789475  -3.295723      1.923049  
1 1 1 20 12 9  o 55.99364 1.048972  30.45304       1.035917  29.46419       1.198634  33.37151       2.059202  -3.458141      2.097944  
1 1 1 20 12 10 o 82.50824 1.073909  68.13925       1.759566  67.85052       2.350176  68.50755       2.654291  -0.3830948     2.147817  
1 1 1 20 12 11 o 84.80640 1.328466  72.07138       2.222138  71.65130       2.906950  72.66194       3.446697  -0.5491943     2.656932  
1 1 1 20 12 12 o 32.07343 1.262472  10.33672       0.7540000 10.34616       0.9131597 10.31651       1.336635  0.9639359E-01  2.524943  
1 1 1 20 12 13 o 38.20356 1.261808  14.66721       0.9598309 14.68406       1.426412  14.65327       1.297534  0.2212143E-01  2.523617  
1 1 1 20 12 14 o 14.48600 2.616028  2.219525       0.7812355 3.044644       1.134228  1.474723       1.077612  4.849549       5.232055  
1 1 1 20 12 15 o 55.10470 0.9249717 30.43951       1.013200  29.80522       1.353710  31.24743       1.527793  -1.274307      1.849943  
1 1 1 20 12 16 o 27.04634 1.285710  7.423104       0.6934147 7.659596       0.9545104 7.158823       1.009032  0.9446316      2.571421  
1 1 1 20 12 17 o 8.225657 2.396742  0.2920991      0.6374447 0.3303389      0.8909465 0.2519954      0.9124023 0.1055336      4.793485  
1 1 1 20 12 18 o 14.34661 2.242707  2.194257       0.6220183 1.827701       0.8113984 2.716702       0.9686880 -2.879119      4.485414  
1 1 1 20 12 19 f 12.51107 2.434511  1.799273       0.6281101 1.813367       0.8696095 1.783900       0.9082110 0.1331520      4.869021  
1 1 1 20 12 20 o 12.05205 3.494150  1.075331       0.8416433 3.455004       2.834297  0.8452015      0.8814005 5.717260       6.988300  
1 1 1 20 12 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 13 0  o 41.15937 1.346024  16.42516       0.9748330 18.41167       1.937715  15.75202       1.127969  0.000000       0.000000  
1 1 1 20 13 1  o 104.0396 1.147038  108.3028       2.386427  109.2332       3.408242  107.4080       3.342552  0.8757553      2.294076  
1 1 1 20 13 2  o 91.81526 0.9209771 84.20943       1.689562  81.47637       2.327659  87.25303       2.456334  -3.143486      1.841954  
1 1 1 20 13 3  o 32.99879 1.054027  10.97600       0.6894624 10.16815       1.022364  11.64986       0.9337451 -2.247051      2.108055  
1 1 1 20 13 4  o 95.03964 1.013442  90.53868       1.906860  89.31456       2.900728  91.47024       2.530450  -1.143211      2.026885  
1 1 1 20 13 5  o 106.3250 1.088457  112.0186       2.273508  107.4673       2.924506  118.9706       3.614436  -5.390610      2.176915  
1 1 1 20 13 6  o 90.46884 0.9929516 81.85618       1.770534  81.61964       2.313468  82.19057       2.750751  -0.3044205     1.985903  
1 1 1 20 13 7  o 96.18787 1.101448  92.60991       2.118887  92.09423       2.986693  93.13246       3.006523  -0.5390549     2.202896  
1 1 1 20 13 8  o 30.71587 1.246686  9.789163       0.7243016 10.67080       0.9138470 8.299592       1.187845  3.870829       2.493372  
1 1 1 20 13 9  o 59.10851 0.8770674 34.75338       1.015122  33.95692       1.301613  35.98994       1.621834  -1.709499      1.754135  
1 1 1 20 13 10 o 52.50518 1.095479  28.02222       1.025654  28.53117       1.209205  26.71704       1.936411  1.768005       2.190958  
1 1 1 20 13 11 o 15.12356 2.597484  3.057861       0.7716821 3.717065       0.8509262 0.4935228E-02  1.831218  8.222414       5.194967  
1 1 1 20 13 12 o 25.36479 1.646642  6.230006       0.8093998 5.535713       1.005710  7.506510       1.363680  -3.825748      3.293285  
1 1 1 20 13 13 o 13.40498 2.269590  1.272848       0.5290438 0.7726469      0.5882160 3.390502       1.210298  -9.058150      4.539181  
1 1 1 20 13 14 o 24.38909 1.542438  5.920033       0.7283432 5.635515       0.9117452 6.421810       1.210804  -1.527521      3.084876  
1 1 1 20 13 15 o 27.68726 1.368798  7.556953       0.7372307 6.971557       0.9253414 8.574282       1.219856  -2.809320      2.737597  
1 1 1 20 13 16 o 19.48373 1.775531  3.743219       0.6690475 3.346822       0.8292654 4.482365       1.132384  -2.760109      3.551062  
1 1 1 20 13 17 o 11.04560 2.589230  1.206194       0.6553392 0.9501652      0.8328803 1.622348       1.061857  -2.393750      5.178459  
1 1 1 20 13 18 o 20.61670 1.799995  4.526801       0.7258977 5.098290       0.9772864 3.823482       1.084161  3.184507       3.599990  
1 1 1 20 13 19 o 9.549006 2.640368  0.7272649      0.7268583 1.163990       1.136195  0.4247120      0.9456916 2.203221       5.280735  
1 1 1 20 13 20 o 13.94168 3.613310  2.421768       1.148497  3.375051       2.511783  2.169780       1.291402  1.836083       7.226619  
1 1 1 20 13 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 14 0  o 98.32146 1.561446  97.45781       2.713991  95.64873       5.222338  98.12720       3.176653  0.000000       0.000000  
1 1 1 20 14 1  o 20.30870 1.509455  4.097021       0.6100825 3.813182       0.8148317 4.459129       0.9203458 -1.587084      3.018910  
1 1 1 20 14 2  o 21.22491 1.451592  4.486623       0.5990509 6.075260       0.8914233 3.178372       0.8089420 6.821754       2.903184  
1 1 1 20 14 3  o 45.43686 0.9079625 20.73348       0.8212041 19.70306       1.203033  21.63253       1.123734  -2.124947      1.815925  
1 1 1 20 14 4  o 139.2682 1.353295  194.7734       3.753203  187.2336       5.506854  201.3138       5.128935  -5.067993      2.706589  
1 1 1 20 14 5  o 19.85229 1.545737  3.951207       0.6117929 3.557439       0.8579940 4.358499       0.8726025 -2.016981      3.091475  
1 1 1 20 14 6  o 85.13176 0.9651749 72.16985       1.623353  74.74834       2.518153  70.33623       2.123503  2.581139       1.930350  
1 1 1 20 14 7  o 15.33776 2.174129  2.285471       0.6679659 0.9763610      0.8700231 4.165035       1.042488  -10.08348      4.348259  
1 1 1 20 14 8  o 80.27495 0.9537918 63.68385       1.492568  61.04623       1.890965  68.04290       2.430938  -4.340530      1.907584  
1 1 1 20 14 9  o 83.65712 0.9220411 70.06075       1.536823  70.15665       2.085127  69.94669       2.273915  0.1323624      1.844082  
1 1 1 20 14 10 o 50.12204 0.8584642 24.70407       0.8473992 22.75942       1.090498  27.66822       1.346344  -4.883587      1.716928  
1 1 1 20 14 11 f 121.2580 1.398588  148.6043       3.196458  150.5366       3.927278  144.8122       5.501758  2.527412       2.797176  
1 1 1 20 14 12 o 50.11525 1.177670  24.82607       1.147405  23.63784       1.445382  26.85088       1.886797  -3.151535      2.355340  
1 1 1 20 14 13 o 14.70541 2.271719  2.746100       0.5748015 3.176858       0.6505111 1.211938       1.227648  6.127832       4.543437  
1 1 1 20 14 14 o 34.34860 1.286747  11.90772       0.8262071 11.92293       1.004395  11.87590       1.452974  0.1724319      2.573493  
1 1 1 20 14 15 o 29.74757 1.447416  9.190125       0.7934013 9.588443       0.9642733 8.355278       1.396010  2.204252       2.894832  
1 1 1 20 14 16 o 20.34157 1.824648  4.178991       0.7282994 3.904806       0.9311267 4.611086       1.168898  -1.611122      3.649297  
1 1 1 20 14 17 o 53.74984 1.024372  29.50186       1.089242  32.35289       1.486884  26.19975       1.600192  5.765167       2.048745  
1 1 1 20 14 18 f 31.48507 1.335828  10.39764       0.8233521 11.70823       1.108779  8.786615       1.229319  4.730598       2.671657  
1 1 1 20 14 19 o 34.11665 1.891845  12.89306       1.239982  14.42738       1.620549  10.72601       1.925923  5.851301       3.783689  
1 1 1 20 14 20 o 7.494582 3.291160  0.000000       0.000000  ?              ?         0.5617325E-01  0.9476353 ?              ?         
1 1 1 20 15 0  o 10.48528 3.445666  1.376168       1.005552  2.703066       1.376551  -0.1419779     1.472415  0.000000       0.000000  
1 1 1 20 15 1  o 77.80650 0.8597715 60.56016       1.337790  60.05302       1.876435  61.08440       1.907798  -0.6621628     1.719543  
1 1 1 20 15 2  o 123.9725 1.146238  153.7750       2.841193  151.6841       3.960481  155.9920       4.078212  -1.734131      2.292476  
1 1 1 20 15 3  o 147.7110 1.431552  218.1418       4.175695  216.2498       5.475363  220.7721       6.455623  -1.495422      2.863104  
1 1 1 20 15 4  f 84.54573 0.9642046 71.46204       1.616492  71.03513       2.147189  72.02055       2.455918  -0.5753174     1.928409  
1 1 1 20 15 5  o 54.24582 1.004444  28.41206       1.041569  32.91768       1.807384  26.17169       1.274482  6.204132       2.008889  
1 1 1 20 15 6  o 42.73049 1.002283  18.27290       0.8549886 18.28740       1.247734  18.26006       1.173913  0.2988815E-01  2.004566  
1 1 1 20 15 7  o 56.70098 0.9917709 31.81297       1.065451  31.06642       1.304134  33.31137       1.847605  -1.962360      1.983542  
1 1 1 20 15 8  o 56.94172 1.079939  31.74214       1.112882  30.81901       1.309211  34.14643       2.112865  -2.891895      2.159879  
1 1 1 20 15 9  o 25.38241 1.454387  6.557568       0.7135791 6.876798       0.9126492 6.055453       1.144596  1.632671       2.908773  
1 1 1 20 15 10 o 74.27939 0.9264935 55.65578       1.365816  59.65585       1.865483  51.03415       2.005187  5.811928       1.852987  
1 1 1 20 15 11 o 24.61880 1.341194  5.949861       0.6433164 5.517776       0.8101155 6.687475       1.058467  -2.345898      2.682388  
1 1 1 20 15 12 o 15.59015 2.421421  2.938398       0.6495686 3.324843       0.7395101 1.633278       1.359020  5.175933       4.842841  
1 1 1 20 15 13 o 32.11023 1.241089  10.42630       0.6850759 10.48039       0.7894804 10.26140       1.378446  0.4351597      2.482178  
1 1 1 20 15 14 o 53.73266 1.048619  28.62162       0.9730616 28.20954       1.118446  29.90483       1.973636  -1.405151      2.097237  
1 1 1 20 15 15 o 38.45436 1.290859  15.03620       0.9832459 15.71153       1.321256  14.19804       1.471959  2.011913       2.581719  
1 1 1 20 15 16 o 10.34492 2.808391  0.8092951      0.8292438 0.4515958      1.206093  1.129980       1.141986  -1.431534      5.616782  
1 1 1 20 15 17 o 21.69696 1.938335  4.816245       0.7700018 4.694693       0.9159706 5.109087       1.421733  -0.5864124     3.876670  
1 1 1 20 15 18 o 13.24793 2.661103  2.007547       0.7437239 1.626007       1.016811  2.446501       1.090634  -2.567489      5.322206  
1 1 1 20 15 19 o 23.79762 2.042539  6.134371       0.9679257 5.468904       1.306792  6.943198       1.440690  -2.884281      4.085079  
1 1 1 20 15 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 16 0  o 89.25565 1.491126  77.19366       2.279803  85.07453       4.731947  74.81136       2.601663  0.000000       0.000000  
1 1 1 20 16 1  o 52.68298 0.9537804 27.49908       0.9893983 29.28323       1.561664  26.30274       1.278790  2.821915       1.907561  
1 1 1 20 16 2  o 38.36027 1.012409  14.68795       0.7660789 14.50116       1.000724  14.95237       1.190662  -0.5832787     2.024819  
1 1 1 20 16 3  o 17.44466 2.064234  3.022448       0.6972530 2.624257       0.9035406 3.608673       1.096311  -3.047513      4.128469  
1 1 1 20 16 4  f 191.0110 1.812980  364.3676       6.818384  358.2354       8.858803  373.2799       10.67979  -3.854126      3.625960  
1 1 1 20 16 5  o 61.87168 0.9214138 38.36521       1.131696  37.80760       1.701268  38.80779       1.515680  -0.8129272     1.842828  
1 1 1 20 16 6  o 57.27990 0.9581645 32.54464       1.088009  34.95064       1.674678  30.78737       1.431204  3.626995       1.916329  
1 1 1 20 16 7  o 94.82940 1.128114  90.03140       2.139072  89.88578       2.991908  90.18366       3.059431  -0.1544952     2.256228  
1 1 1 20 16 8  o 42.36227 1.046157  17.95595       0.8863518 17.95595       0.8863518 ?              ?         ?              ?         
1 1 1 20 16 9  o 58.17729 0.9995366 33.52082       1.153514  31.14718       1.518420  36.76015       1.773829  -4.810806      1.999073  
1 1 1 20 16 10 o 35.70327 1.167801  12.27410       0.7765166 11.47224       0.9271238 14.15853       1.421270  -3.724182      2.335602  
1 1 1 20 16 11 o 47.65960 0.8448161 22.27217       0.7387772 21.57327       0.8772935 23.97620       1.369865  -2.481453      1.689632  
1 1 1 20 16 12 o 20.70350 1.310651  3.902436       0.4436392 3.636601       0.4927200 5.040895       1.019655  -3.316715      2.621302  
1 1 1 20 16 13 o 81.06649 1.179029  66.94879       1.868436  70.55217       2.439020  61.83049       2.906857  5.464813       2.358058  
1 1 1 20 16 14 o 7.111683 2.349559  -1.317793      0.7338533 -1.813711      0.8694416 -0.8924482E-01 1.368460  -4.231167      4.699119  
1 1 1 20 16 15 o 21.08461 2.346098  4.583868       0.9129152 4.398255       1.115268  4.960791       1.589283  -0.7353210     4.692197  
1 1 1 20 16 16 o 33.00330 1.793487  11.13480       1.168432  11.48321       1.814842  10.88814       1.527009  0.7502022      3.586974  
1 1 1 20 16 17 o 43.18561 1.200834  19.32973       0.9920740 20.38870       1.254950  17.56528       1.619910  3.441021       2.401667  
1 1 1 20 16 18 o 19.47999 2.132972  4.342942       0.7657884 5.468387       1.037742  2.997318       1.134721  6.735296       4.265944  
1 1 1 20 16 19 o 15.99577 3.719449  3.187064       1.203587  2.914888       1.350905  4.234781       2.650465  -1.452312      7.438898  
1 1 1 20 16 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 17 0  o 36.36184 1.533090  13.37490       1.025303  13.36873       1.830046  13.37773       1.237815  0.000000       0.000000  
1 1 1 20 17 1  o 114.9126 1.275992  131.7213       2.925415  138.9155       4.325137  125.6547       3.971740  5.758598       2.551984  
1 1 1 20 17 2  o 26.74515 1.284448  7.181685       0.6831336 7.370954       0.9252462 6.954866       1.012885  0.7806950      2.568896  
1 1 1 20 17 3  o 104.9463 1.118667  110.0899       2.316868  109.3428       3.034237  111.1345       3.588042  -0.8378754     2.237334  
1 1 1 20 17 4  o 62.16883 0.8679249 38.58612       1.076205  37.58461       1.460990  39.77426       1.591316  -1.758026      1.735850  
1 1 1 20 17 5  o 10.86790 2.744116  0.9711993      0.8083315 1.567226       0.9864367 -0.2471163     1.410316  3.092597       5.488232  
1 1 1 20 17 6  o 28.90761 1.202294  8.193768       0.6195984 7.992863       0.7226900 8.751132       1.203726  -1.293133      2.404587  
1 1 1 20 17 7  o 41.72193 0.9969215 17.70881       0.7591523 18.14151       0.9103605 16.72100       1.375498  1.717972       1.993843  
1 1 1 20 17 8  o 115.6119 1.143319  133.8640       2.532962  133.8601       3.158663  133.8709       4.239652  0.4593658E-01  2.286637  
1 1 1 20 17 9  o 97.72421 1.198028  95.48049       2.027827  95.22436       2.340332  96.25208       4.061911  -0.4038849     2.396057  
1 1 1 20 17 10 o 79.30146 0.9491662 63.46871       1.476807  65.56868       1.928937  60.49441       2.295641  3.225067       1.898332  
1 1 1 20 17 11 o 46.15755 1.102148  21.48767       1.010320  20.31355       1.495664  22.47305       1.370185  -2.353325      2.204295  
1 1 1 20 17 12 o 56.81415 0.8747131 32.24511       0.9682430 31.84412       1.233171  32.88968       1.563482  -0.8846970     1.749426  
1 1 1 20 17 13 o 26.74533 1.110023  6.991345       0.5044162 6.813376       0.5739064 7.595642       1.057533  -1.367256      2.220047  
1 1 1 20 17 14 o 23.03127 1.289990  5.368881       0.5795757 5.411430       0.7437572 5.303097       0.9247931 0.2842293      2.579981  
1 1 1 20 17 15 o 21.39129 2.004015  4.714746       0.7889132 4.714592       0.9475002 4.715096       1.424453  0.2496586      4.008030  
1 1 1 20 17 16 o 45.04715 1.232342  20.57622       1.107369  22.68272       1.593690  18.60974       1.539813  4.497654       2.464684  
1 1 1 20 17 17 o 54.20068 1.383729  30.88913       1.294502  31.87016       1.507044  28.12826       2.528175  3.963348       2.767459  
1 1 1 20 17 18 f 10.10736 2.719350  0.9811551      0.7654862 1.164001       0.9939673 0.7146338      1.200039  0.7428761      5.438700  
1 1 1 20 17 19 o 20.98670 2.473940  5.179735       0.9912953 5.559393       1.318708  4.686458       1.503134  2.803823       4.947880  
1 1 1 20 17 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 18 0  o 55.14423 1.446679  30.13356       1.396755  31.44229       2.759565  29.68279       1.619529  0.000000       0.000000  
1 1 1 20 18 1  o 63.61241 0.8922849 40.50323       1.134590  41.00299       1.584543  39.97740       1.625339  0.8070488      1.784570  
1 1 1 20 18 2  o 139.1395 1.464377  193.7269       4.072549  198.7094       5.886580  189.1528       5.640225  3.424866       2.928754  
1 1 1 20 18 3  o 67.25403 0.9446886 45.25871       1.252732  45.24391       1.639535  45.27947       1.941845  -0.1879883E-01 1.889377  
1 1 1 20 18 4  o 49.52402 1.092920  24.98195       1.058315  22.13914       1.622956  27.08507       1.395934  -5.000500      2.185841  
1 1 1 20 18 5  o 84.50181 1.084969  70.85051       1.617004  70.15636       1.880735  72.81809       3.166394  -1.532043      2.169938  
1 1 1 20 18 6  o 83.73800 1.095485  70.02420       1.616118  69.82851       1.881759  70.57427       3.154912  -0.3996277     2.190969  
1 1 1 20 18 7  o 111.2929 1.280084  124.9822       2.549211  126.1312       3.004663  122.0303       4.815950  1.925476       2.560168  
1 1 1 20 18 8  o 75.09778 0.9081012 56.76383       1.306132  57.53551       1.633391  55.39532       2.175168  1.448479       1.816202  
1 1 1 20 18 9  o 68.27188 1.028497  43.79917       1.162510  41.72017       1.302048  51.96903       2.581117  -7.422005      2.056994  
1 1 1 20 18 10 o 54.53568 0.8830254 29.36174       0.8885004 28.69055       1.061638  30.93103       1.623326  -2.010563      1.766051  
1 1 1 20 18 11 o 43.07818 1.135002  18.75735       0.8072301 18.85851       0.9141846 18.39929       1.719843  0.6247253      2.270004  
1 1 1 20 18 12 o 84.76044 0.9285092 72.57487       1.506261  73.85583       1.884305  70.30756       2.506941  2.167442       1.857018  
1 1 1 20 18 13 o 60.46045 1.025738  37.79561       1.141038  39.59571       1.386134  34.01183       2.009646  4.731281       2.051475  
1 1 1 20 18 14 o 38.18014 1.060909  14.74574       0.7364965 14.84465       0.8769996 14.50905       1.356573  0.5458069      2.121819  
1 1 1 20 18 15 o 10.27911 2.289921  0.9418014      0.4576977 0.7887686      0.5190192 1.477056       0.9706694 -3.074488      4.579841  
1 1 1 20 18 16 o 8.329278 2.359875  0.3673400      0.6052531 0.6815237      0.8881688 0.9493300E-01  0.8270138 1.688337       4.719751  
1 1 1 20 18 17 o 21.97900 1.655462  4.947051       0.7179226 6.193843       1.070699  3.928622       0.9676890 5.076996       3.310924  
1 1 1 20 18 18 o 9.348740 2.714183  0.4099747      0.8578466 -0.3809977     1.225424  1.170102       1.201293  -2.887092      5.428366  
1 1 1 20 18 19 o 27.15559 2.755368  8.106851       1.373351  10.88546       2.622793  7.057228       1.612007  4.475788       5.510736  
1 1 1 20 18 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 19 0  o 21.04378 2.795896  4.704613       0.9866744 5.121051       1.759446  4.513572       1.191693  0.000000       0.000000  
1 1 1 20 19 1  o 65.50684 0.8942294 42.92646       1.171412  42.13700       1.641617  43.74548       1.672058  -1.226982      1.788459  
1 1 1 20 19 2  o 44.20198 1.260324  20.28600       1.006622  21.36954       1.208742  17.83399       1.818330  4.019646       2.520648  
1 1 1 20 19 3  o 94.70360 1.200282  88.44239       2.127403  86.06942       2.570736  93.59865       3.789479  -3.933128      2.400565  
1 1 1 20 19 4  o 122.8885 1.341098  151.1823       3.295100  154.1680       4.732189  148.3722       4.590969  2.352211       2.682195  
1 1 1 20 19 5  o 131.9133 1.497217  173.7185       3.685569  172.5563       4.462945  176.2106       6.535388  -1.283569      2.994434  
1 1 1 20 19 6  o 151.2351 1.416569  229.0657       4.128228  228.7609       5.183885  229.5943       6.825485  -0.1944885     2.833139  
1 1 1 20 19 7  o 13.61139 2.418924  1.956912       0.6051199 2.020333       0.7046560 1.778781       1.180946  0.6974163      4.837848  
1 1 1 20 19 8  o 50.31944 0.9432555 23.55471       0.8294729 21.85472       0.9476510 29.12398       1.715234  -7.180820      1.886511  
1 1 1 20 19 9  o 23.03262 1.714175  5.853395       0.6004037 6.183562       0.6719649 4.546232       1.337041  3.624428       3.428351  
1 1 1 20 19 10 o 32.42313 1.023095  10.68249       0.6053723 10.89302       0.7250494 10.19792       1.099993  1.108160       2.046189  
1 1 1 20 19 11 o 27.75582 1.212772  7.867859       0.5847409 8.004993       0.6794597 7.476283       1.148157  1.011772       2.425543  
1 1 1 20 19 12 o 51.80512 0.8604611 27.20236       0.8322333 27.73128       1.015064  26.11769       1.453603  1.610744       1.720922  
1 1 1 20 19 13 o 36.16718 1.237530  12.89876       0.6580786 12.75980       0.7169213 13.64257       1.658638  -0.9967613     2.475060  
1 1 1 20 19 14 o 37.74335 1.500696  13.50254       0.7380774 13.21565       0.7836857 15.75432       2.195577  -2.915779      3.001392  
1 1 1 20 19 15 o 6.821362 2.043837  0.9518833E-01  0.4610937 0.2416324      0.5458863 -0.2694575     0.8613943 -0.2247639     4.087675  
1 1 1 20 19 16 o 17.25472 1.563955  3.032331       0.5260800 2.966128       0.6698128 3.138927       0.8499262 -0.3992996     3.127911  
1 1 1 20 19 17 o 24.84837 1.493928  6.291737       0.7362282 7.370291       1.129425  5.494794       0.9708441 3.637892       2.987856  
1 1 1 20 19 18 o 14.89254 3.255275  2.771679       1.066257  2.419569       1.442811  3.195382       1.582711  -1.890259      6.510551  
1 1 1 20 19 19 o 10.79820 4.390117  0.000000       0.000000  ?              ?         1.178481       1.489711  ?              ?         
1 1 1 20 19 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20 20 0  o 87.33956 1.557302  78.22832       2.427476  72.62019       4.529731  80.48779       2.875195  0.000000       0.000000  
1 1 1 20 20 1  o 84.13963 1.018531  70.92220       1.695841  71.32291       2.244503  70.38914       2.588725  0.5650711      2.037062  
1 1 1 20 20 2  o 94.82486 0.9970356 89.99161       1.890846  89.64307       2.665052  90.34491       2.683160  -0.3695221     1.994071  
1 1 1 20 20 3  o 62.61557 1.116184  38.89091       1.315098  38.20942       1.600642  40.30658       2.306965  -1.649982      2.232368  
1 1 1 20 20 4  o 84.55422 0.9656678 71.38963       1.560565  70.99348       1.937121  72.12214       2.634105  -0.6453552     1.931336  
1 1 1 20 20 5  o 23.80360 1.847753  5.588864       0.8425629 5.364781       1.040845  6.014842       1.435075  -1.340405      3.695507  
1 1 1 20 20 6  o 69.17560 0.9926561 47.43417       1.339565  45.86544       1.702076  49.98713       2.171342  -2.961296      1.985312  
1 1 1 20 20 7  o 49.94791 0.9609898 24.23773       0.8603896 23.36125       1.004354  26.65462       1.667803  -3.265583      1.921980  
1 1 1 20 20 8  o 75.97310 1.034539  57.24428       1.543845  54.87602       1.985170  60.86861       2.455816  -3.912170      2.069078  
1 1 1 20 20 9  f 43.42945 0.9749330 18.94375       0.7851893 19.01120       0.9481224 18.79649       1.400864  0.2835464      1.949866  
1 1 1 20 20 10 o 42.44932 0.9449430 18.13124       0.7462580 18.24426       0.9042128 17.88981       1.321567  0.4576721      1.889886  
1 1 1 20 20 11 o 42.99895 0.9014510 17.82647       0.7074686 16.87383       0.8330817 20.29043       1.339798  -3.916634      1.802902  
1 1 1 20 20 12 o 20.00900 1.524031  3.850322       0.5439339 3.626811       0.6305370 4.500474       1.075397  -2.062599      3.048062  
1 1 1 20 20 13 o 49.01294 0.8775073 23.96786       0.7761322 23.74975       0.9157110 24.52423       1.462529  -0.6892700     1.755015  
1 1 1 20 20 14 o 54.66036 0.9757777 28.70891       0.9429463 27.26905       1.088823  33.02843       1.885882  -5.079269      1.951555  
1 1 1 20 20 15 o 14.14920 2.079071  2.101639       0.5442234 2.015878       0.6672192 2.272109       0.9406955 -0.6605349     4.158142  
1 1 1 20 20 16 o 28.06030 1.066930  8.027753       0.5872149 8.263212       0.7660834 7.692338       0.9143439 1.080286       2.133860  
1 1 1 20 20 17 o 17.70147 1.631283  3.259945       0.5665541 3.184105       0.7303575 3.374534       0.8977599 -0.3705654     3.262567  
1 1 1 20 20 18 o 28.27287 1.663328  8.123485       0.7855960 7.835188       0.8879065 9.162665       1.685750  -1.345575      3.326655  
1 1 1 20 20 19 o 16.33379 4.245330  0.000000       0.000000  ?              ?         3.464685       1.399367  ?              ?         
1 1 1 20 21 0  o 57.61420 1.638602  32.90661       1.777267  34.86640       3.105832  31.95243       2.167162  0.000000       0.000000  
1 1 1 20 21 1  o 44.89156 1.009794  20.17836       0.9061621 20.90652       1.280836  19.44867       1.282178  1.623795       2.019588  
1 1 1 20 21 2  o 36.30049 1.099522  12.23989       0.7667099 9.866258       0.9386000 17.00007       1.329182  -9.812025      2.199044  
1 1 1 20 21 3  o 44.83197 1.019380  20.07660       0.8876955 19.94337       1.126379  20.29501       1.442114  -0.3815002     2.038760  
1 1 1 20 21 4  o 58.77000 0.9588718 34.73631       1.106878  35.49367       1.444365  33.65861       1.722950  1.570385       1.917744  
1 1 1 20 21 5  o 54.39035 1.085989  30.49125       1.034654  31.49446       1.212357  27.80167       1.985073  3.424637       2.171977  
1 1 1 20 21 6  o 46.49516 1.096614  21.27488       0.9875002 20.22608       1.236093  23.12510       1.641785  -3.097569      2.193227  
1 1 1 20 21 7  o 17.36874 2.185942  2.986791       0.6567401 2.861588       0.7621325 3.347908       1.294338  -0.9796028     4.371884  
1 1 1 20 21 8  o 76.92019 1.161971  59.23434       1.707233  59.02871       2.118927  59.61483       2.882307  -0.3211365     2.323941  
1 1 1 20 21 9  o 30.19617 1.229127  8.940923       0.6646314 8.685966       0.7767645 9.637726       1.284138  -1.517540      2.458254  
1 1 1 20 21 10 f 32.22528 1.185154  10.69307       0.7134681 11.22646       0.8783301 9.658452       1.223286  2.474995       2.370307  
1 1 1 20 21 11 o 19.56165 1.669485  4.058918       0.5614478 4.269404       0.6557275 3.480726       1.086794  2.105030       3.338970  
1 1 1 20 21 12 o 13.66614 2.188919  2.166569       0.5487435 2.462819       0.6438338 1.379933       1.049136  3.882936       4.377837  
1 1 1 20 21 13 o 28.47822 1.168679  8.113034       0.5977876 8.033080       0.7031705 8.321438       1.135248  -0.4018421     2.337357  
1 1 1 20 21 14 o 55.33212 0.8922600 31.13087       0.9132277 31.67791       1.104744  29.95039       1.622859  1.687355       1.784520  
1 1 1 20 21 15 o 16.38287 1.962320  3.052253       0.5398958 3.315121       0.6368393 2.380575       1.017985  3.364887       3.924639  
1 1 1 20 21 16 o 12.11668 2.289113  1.519443       0.4997315 1.456977       0.5682615 1.732586       1.049688  -0.9101725     4.578226  
1 1 1 20 21 17 f 13.01463 2.191467  2.000410       0.5849472 2.493360       0.7535883 1.253199       0.9277999 4.676220       4.382934  
1 1 1 20 21 18 o 26.80139 3.458699  0.000000       0.000000  ?              ?         8.185570       1.853959  ?              ?         
1 1 1 20 21 19 o 18.37470 4.200902  0.000000       0.000000  ?              ?         4.306453       1.510854  ?              ?         
1 1 1 20 22 0  o 94.97770 1.656512  90.94318       2.765902  89.52866       5.369534  91.45407       3.226956  0.000000       0.000000  
1 1 1 20 22 1  o 29.98846 1.544041  9.063231       0.9209026 8.303255       1.335327  9.752519       1.271707  -2.419651      3.088083  
1 1 1 20 22 2  o 90.71574 1.042247  81.54583       1.844545  78.76230       2.343438  86.07858       2.990452  -4.009651      2.084494  
1 1 1 20 22 3  o 131.5535 1.273070  174.0043       3.250891  176.1563       4.140648  170.5462       5.248892  2.181107       2.546140  
1 1 1 20 22 4  o 12.64045 2.483345  1.296764       0.6605955 0.6028993      0.7986112 2.800253       1.175569  -7.425988      4.966690  
1 1 1 20 22 5  o 38.00496 1.344749  16.27358       0.8533576 18.30734       1.006919  11.08913       1.607666  9.528000       2.689499  
1 1 1 20 22 6  o 70.98920 0.9518066 50.26014       1.263460  49.88800       1.532452  51.05002       2.232631  -0.7815704     1.903613  
1 1 1 20 22 7  o 77.02231 1.171507  58.50952       1.657868  57.08883       1.973899  61.91163       3.054574  -3.049370      2.343014  
1 1 1 20 22 8  o 48.41738 1.244963  23.36619       1.194188  24.68351       1.838691  22.40512       1.570513  2.324314       2.489926  
1 1 1 20 22 9  o 67.40003 0.9481696 45.09732       1.228504  43.96611       1.529192  47.15623       2.063040  -2.314728      1.896339  
1 1 1 20 22 10 o 46.80714 0.9346961 22.19283       0.8099689 22.56795       0.9801319 21.38491       1.438406  1.313007       1.869392  
1 1 1 20 22 11 o 61.89690 0.8874943 38.36525       1.029662  38.21309       1.252831  38.68195       1.807444  -0.3021927     1.774989  
1 1 1 20 22 12 o 23.61875 1.379213  5.795514       0.5787762 5.994412       0.6843848 5.296060       1.084506  1.588577       2.758425  
1 1 1 20 22 13 o 58.64006 1.009915  35.29874       1.029642  36.04165       1.198290  33.20257       2.012832  2.598511       2.019831  
1 1 1 20 22 14 o 43.02315 0.9426150 17.52298       0.7319169 16.19300       0.8518566 21.27366       1.430541  -5.748631      1.885230  
1 1 1 20 22 15 o 8.339356 2.145156  0.6028590      0.5039681 0.9817203      0.5764576 -0.6257592     1.038092  2.547636       4.290312  
1 1 1 20 22 16 o 25.63704 1.203024  6.164063       0.5664453 5.446356       0.6638077 8.086610       1.086444  -4.911486      2.406048  
1 1 1 20 22 17 o 22.38144 1.442386  5.335029       0.6260922 5.962308       0.8265755 4.490736       0.9589559 3.411448       2.884773  
1 1 1 20 22 18 o 11.15990 3.473383  0.5038534      1.464186  2.154458       2.425509  -0.4424931     1.836566  3.928337       6.946766  
1 1 1 20 22 19 f 7.040438 3.394489  0.000000       0.000000  ?              ?         -1.376235      1.424298  ?              ?         
1 1 1 20 23 0  o 35.77979 2.123964  13.38384       1.353882  12.41988       2.463104  13.80117       1.620669  0.000000       0.000000  
1 1 1 20 23 1  o 46.12477 1.072340  21.05680       0.9768629 19.86602       1.269872  22.78289       1.528894  -3.152115      2.144680  
1 1 1 20 23 2  o 47.27015 1.057129  22.62615       0.9710880 23.53832       1.248941  21.23164       1.544235  2.451077       2.114259  
1 1 1 20 23 3  o 49.52660 1.347906  24.78495       1.321302  28.53919       1.854053  20.91052       1.883501  7.703110       2.695812  
1 1 1 20 23 4  o 41.02752 1.090375  17.07466       0.8310141 17.46161       1.009924  16.26332       1.462379  1.481419       2.180750  
1 1 1 20 23 5  o 77.54500 1.076360  61.38752       1.521955  63.13681       1.825993  57.40683       2.754532  3.747070       2.152719  
1 1 1 20 23 6  o 91.09782 1.221468  80.15851       1.967738  76.89890       2.276471  89.79062       3.913271  -6.947723      2.442935  
1 1 1 20 23 7  o 50.43198 1.452916  24.34491       1.002628  23.91928       1.074000  27.23180       2.797053  -3.111042      2.905832  
1 1 1 20 23 8  o 52.20783 1.067585  27.36382       1.110498  27.60649       1.509944  27.07792       1.638937  0.5195351      2.135170  
1 1 1 20 23 9  o 31.24004 1.254547  9.408994       0.7338631 8.745198       0.8797400 10.92772       1.330692  -3.433489      2.509095  
1 1 1 20 23 10 o 21.93057 1.542150  4.953310       0.6053838 5.088552       0.7175287 4.619222       1.127755  1.149412       3.084300  
1 1 1 20 23 11 o 7.788264 2.327165  0.1347786      0.5567774 0.1547875      0.6445639 0.7596323E-01  1.105097  -1.693243      4.654330  
1 1 1 20 23 12 o 46.41687 0.9376951 21.56976       0.7957802 21.43929       0.9482066 21.88054       1.463506  -0.3746643     1.875390  
1 1 1 20 23 13 o 14.91064 2.352960  2.235512       0.5977409 2.140006       0.6765783 2.575172       1.275928  -0.8390179     4.705921  
1 1 1 20 23 14 o 55.69882 0.9569476 31.29417       1.053529  31.52561       1.390772  30.98255       1.613814  0.5484009      1.913895  
1 1 1 20 23 15 o 23.62247 1.435588  5.693140       0.5858503 5.681400       0.6762000 5.728474       1.173168  0.1648827      2.871176  
1 1 1 20 23 16 o 25.04204 1.376424  6.715989       0.6571668 7.580000       0.8503162 5.434468       1.035579  4.429289       2.752848  
1 1 1 20 23 17 o 24.23142 1.571828  6.109879       0.7287449 5.947489       0.9033378 6.412530       1.233222  -0.5767612     3.143656  
1 1 1 20 23 18 o 34.40189 2.863094  0.000000       0.000000  ?              ?         13.12418       1.969916  ?              ?         
1 1 1 20 23 19 o 14.37448 4.467034  0.000000       0.000000  ?              ?         2.981889       1.418471  ?              ?         
1 1 1 20 24 0  o 19.20237 2.774582  4.114484       0.8897901 4.211079       1.103220  3.934695       1.505108  0.000000       0.000000  
1 1 1 20 24 1  o 127.8915 1.441643  163.2059       3.306290  162.2833       3.887842  165.6167       6.284433  -1.169159      2.883285  
1 1 1 20 24 2  o 99.31841 1.063001  97.89474       2.017073  95.87351       2.493861  101.7183       3.430032  -2.901039      2.126002  
1 1 1 20 24 3  o 142.9817 1.365559  204.5296       3.763017  203.4119       4.721641  206.4755       6.229996  -0.9761353     2.731118  
1 1 1 20 24 4  o 83.08482 1.035022  68.61625       1.675369  66.87926       2.127343  71.45292       2.718596  -2.718613      2.070045  
1 1 1 20 24 5  o 19.18682 2.263053  4.033991       0.7758497 4.541752       0.9613716 3.085651       1.313844  4.149540       4.526106  
1 1 1 20 24 6  o 48.75111 0.9977555 23.75266       0.8993055 23.65554       1.081120  23.97078       1.620270  -0.2868996     1.995511  
1 1 1 20 24 7  o 6.533317 2.208950  -0.8463695     0.6257094 -0.6287044     0.6903626 -1.847901      1.480864  -2.010038      4.417899  
1 1 1 20 24 8  o 50.90767 0.9963814 25.72953       0.9664913 25.14993       1.190773  26.84850       1.654543  -1.620411      1.992763  
1 1 1 20 24 9  o 37.87140 1.072615  14.35448       0.7399837 14.29305       0.8797067 14.50310       1.368391  -0.2164497     2.145231  
1 1 1 20 24 10 o 60.46601 0.9763529 36.63191       1.149357  36.37161       1.463920  37.05022       1.855780  -0.5038147     1.952706  
1 1 1 20 24 11 o 44.78548 0.9719647 19.70765       0.7795715 19.16509       0.9113985 21.18683       1.504853  -2.146404      1.943929  
1 1 1 20 24 12 o 45.16274 0.9736975 20.54672       0.7968929 20.59054       0.9455481 20.43930       1.480520  0.2773209      1.947395  
1 1 1 20 24 13 o 24.17447 1.345562  5.490373       0.5809018 5.012804       0.6705229 6.927268       1.163077  -3.772274      2.691124  
1 1 1 20 24 14 o 23.87467 1.540944  5.858883       0.7001733 5.912898       0.8692206 5.759069       1.181586  0.4909821      3.081887  
1 1 1 20 24 15 o 7.437253 2.245942  0.1302928      0.5528321 0.3702551      0.6271633 -0.7058449     1.170706  -0.4712105E-01 4.491885  
1 1 1 20 24 16 o 14.82822 2.106518  2.434774       0.5457357 2.457896       0.6382604 2.371913       1.052388  1.096358       4.213037  
1 1 1 20 24 17 o 7.030571 2.215157  -0.1608829     0.6340480 0.6839414E-01  0.8244193 -0.4928591     0.9920220 0.3485060      4.430313  
1 1 1 20 24 18 o 12.34406 6.002509  0.000000       0.000000  ?              ?         -0.4953817     4.708484  ?              ?         
1 1 1 20 25 0  o 40.60650 1.890775  16.90951       1.407632  16.29350       2.492628  17.19795       1.705634  0.000000       0.000000  
1 1 1 20 25 1  o 170.1544 1.518880  290.3915       5.168097  294.0636       7.387742  286.8722       7.232322  2.101547       3.037760  
1 1 1 20 25 2  o 48.72142 1.176958  23.84826       1.072807  23.96122       1.305802  23.61369       1.881758  0.3920593      2.353915  
1 1 1 20 25 3  o 72.54218 1.103436  53.70837       1.455994  55.16068       1.743138  50.35682       2.648044  3.369217       2.206872  
1 1 1 20 25 4  o 34.87427 1.246165  11.98537       0.7976474 11.67744       0.9486504 12.72833       1.473551  -1.464687      2.492331  
1 1 1 20 25 5  f 82.09341 1.005502  67.28681       1.565354  66.78204       1.925116  68.27177       2.689182  -0.8555908     2.011005  
1 1 1 20 25 6  o 47.53921 1.201557  22.00294       0.9426118 21.50213       1.060055  23.89483       2.060359  -2.413631      2.403114  
1 1 1 20 25 7  o 37.07649 1.192928  13.60815       0.8514811 13.11369       1.059460  14.51016       1.430956  -1.838505      2.385856  
1 1 1 20 25 8  o 52.13415 1.200553  27.41814       1.178031  27.65682       1.443727  26.94264       2.037760  0.7603683      2.401106  
1 1 1 20 25 9  o 59.09898 1.108225  35.00566       1.188559  34.89582       1.409674  35.27575       2.210501  -0.2081032     2.216451  
1 1 1 20 25 10 o 18.10226 2.038244  3.344123       0.6646373 3.256974       0.7976125 3.542112       1.202211  -0.3399391     4.076489  
1 1 1 20 25 11 o 30.59334 1.272668  9.486736       0.7233583 9.547771       0.8758565 9.355785       1.282923  0.4230499      2.545336  
1 1 1 20 25 12 o 15.24486 2.595917  2.643507       0.7398804 2.901191       0.8636189 1.932561       1.434488  3.211234       5.191834  
1 1 1 20 25 13 o 32.07005 1.254930  10.06850       0.7770877 9.178443       0.9626174 11.73370       1.316677  -3.857122      2.509860  
1 1 1 20 25 14 o 33.99564 1.197369  12.00076       0.7752544 12.73444       0.9773791 10.75600       1.273069  3.035336       2.394738  
1 1 1 20 25 15 o 10.10884 2.532191  0.9763513      0.5923111 0.9452494      0.6948531 1.059022       1.132857  -1.116092      5.064382  
1 1 1 20 25 16 o 17.86337 2.432455  3.894250       0.6709347 4.103667       0.7523615 3.080838       1.482775  4.121015       4.864911  
1 1 1 20 25 17 o 13.39993 2.939279  1.933546       0.7056777 1.751771       0.7719238 2.858306       1.741093  -2.237972      5.878558  
1 1 1 20 25 18 o 12.61891 4.757528  0.000000       0.000000  ?              ?         2.094248       1.636020  ?              ?         
1 1 1 20 26 0  o 125.7953 1.676209  158.4061       4.203071  153.5943       5.709198  164.1000       6.210469  0.000000       0.000000  
1 1 1 20 26 1  o 12.84753 2.912235  1.562963       0.7969089 1.870836       1.443538  1.428005       0.9557449 1.933212       5.824469  
1 1 1 20 26 2  o 75.57968 0.9817575 57.03698       1.424226  56.56492       1.776132  57.88719       2.383642  -0.8363724     1.963515  
1 1 1 20 26 3  o 88.78737 1.178002  78.71748       1.863503  78.33959       2.183074  79.73224       3.577426  -0.6798096     2.356003  
1 1 1 20 26 4  o 80.69511 1.147871  64.17736       1.618663  63.03920       1.869886  67.57996       3.233099  -2.705841      2.295741  
1 1 1 20 26 5  o 66.49693 1.097165  45.19105       1.294268  46.22044       1.523246  42.51825       2.454506  2.870728       2.194331  
1 1 1 20 26 6  o 33.45856 1.237401  10.82049       0.7357870 10.35524       0.8533363 12.16888       1.452726  -2.637650      2.474801  
1 1 1 20 26 7  o 69.29851 0.9882967 48.08657       1.325992  47.85987       1.675033  48.46710       2.170155  -0.3868332     1.976593  
1 1 1 20 26 8  o 54.31746 0.9640405 29.48301       0.9686465 29.29065       1.164382  29.91534       1.745533  -0.5053902     1.928081  
1 1 1 20 26 9  o 36.83619 1.175394  13.89083       0.7556987 14.15061       0.8806699 13.16539       1.471690  1.444733       2.350789  
1 1 1 20 26 10 o 24.39282 1.825584  6.668254       0.6873462 7.095442       0.7750043 5.093812       1.487846  4.332258       3.651169  
1 1 1 20 26 11 o 35.33097 1.313751  12.60951       0.7662494 12.60705       0.8668627 12.61831       1.638645  0.1908112      2.627502  
1 1 1 20 26 12 o 18.47777 2.060421  3.826541       0.6263435 4.093311       0.7315791 3.094182       1.212146  3.253258       4.120841  
1 1 1 20 26 13 o 13.92819 2.403653  1.970512       0.6686365 1.305313       0.8542029 3.022905       1.074421  -5.609259      4.807306  
1 1 1 20 26 14 o 11.07082 2.758890  1.004068       0.6309168 0.8181968      0.7010749 1.795799       1.446927  -3.877443      5.517780  
1 1 1 20 26 15 o 20.63877 1.827048  4.597521       0.6577345 4.720292       0.7706024 4.268066       1.262351  1.600874       3.654095  
1 1 1 20 26 16 o 8.023811 2.434691  0.1943722      0.6045187 0.1390568      0.6891001 0.3791225      1.259365  -2.310090      4.869381  
1 1 1 20 26 17 o 8.289517 2.673992  0.4261540E-01  0.7119160 0.9202613E-01  0.7637652 -0.2846822     1.965715  -2.657036      5.347983  
1 1 1 20 26 18 o 23.87520 3.741929  0.000000       0.000000  ?              ?         7.136035       1.786786  ?              ?         
1 1 1 20 27 0  o 20.55384 3.404216  4.026639       1.047112  3.337684       1.173776  6.711950       2.317327  0.000000       0.000000  
1 1 1 20 27 1  o 130.1432 1.216472  169.8410       3.166269  169.5135       4.464305  170.1725       4.491377  -0.2509918     2.432944  
1 1 1 20 27 2  o 10.53080 2.690612  0.8711483      0.7002301 1.239167       1.196660  0.6795239      0.8634983 2.388466       5.381224  
1 1 1 20 27 3  o 75.63422 0.9838648 56.99037       1.418149  56.22976       1.751243  58.43933       2.417112  -1.409523      1.967730  
1 1 1 20 27 4  o 26.21879 1.727705  7.367737       0.7940935 7.942062       0.9440297 5.978056       1.468465  3.823420       3.455410  
1 1 1 20 27 5  o 36.65847 1.187981  13.12074       0.7899936 12.63940       0.9294475 14.37355       1.499476  -2.298748      2.375961  
1 1 1 20 27 6  o 75.30525 1.196028  56.04961       1.675696  54.55797       2.014652  59.39806       3.018496  -3.088654      2.392056  
1 1 1 20 27 7  o 72.94583 1.173413  51.95747       1.536205  50.15886       1.795548  56.86979       2.967378  -4.438301      2.346825  
1 1 1 20 27 8  o 24.07511 1.842588  6.051668       0.7064157 6.176988       0.7935262 5.573043       1.550777  1.433544       3.685177  
1 1 1 20 27 9  o 23.33459 1.787700  4.392524       0.6865921 3.672872       0.7557663 7.792716       1.642774  -8.532938      3.575400  
1 1 1 20 27 10 f 12.77913 2.753668  1.670744       0.6684214 1.684297       0.7452754 1.615008       1.511318  -0.4338160     5.507336  
1 1 1 20 27 11 f 25.30206 2.572083  6.224386       0.7465081 6.095439       0.7837292 7.486010       2.451468  -1.430988      5.144166  
1 1 1 20 27 12 f 23.53515 1.510358  5.496700       0.6469807 5.300403       0.7636690 5.995869       1.217793  -1.283241      3.020716  
1 1 1 20 27 13 o 35.60412 1.135621  13.47928       0.7318914 14.50905       0.8870643 11.28351       1.295318  4.696838       2.271243  
1 1 1 20 27 14 o 22.62794 1.919278  4.925126       0.6909264 4.681809       0.7640174 6.017384       1.618751  -2.345509      3.838556  
1 1 1 20 27 15 o 16.79799 2.546887  2.787332       0.6726336 2.532324       0.7389736 4.019364       1.624288  -2.581822      5.093774  
1 1 1 20 27 16 o 9.358325 2.843999  0.4716516      0.6626672 0.4470066      0.7032208 0.6670287      1.979995  -3.270340      5.687998  
1 1 1 20 27 17 o 7.102708 2.396166  -0.7366365     0.7509179 -0.7349715     0.8424770 -0.7430723     1.656296  -2.558603      4.792333  
1 1 1 20 27 18 o 10.05853 4.345590  0.000000       0.000000  ?              ?         0.9549224      1.599659  ?              ?         
1 1 1 20 28 0  o 42.81567 1.347689  18.52983       1.137265  18.84651       1.512061  18.11734       1.725702  0.000000       0.000000  
1 1 1 20 28 1  o 54.85290 0.9368593 30.22768       1.023007  31.01839       1.392165  29.29954       1.508305  1.576164       1.873719  
1 1 1 20 28 2  o 41.85136 0.9534137 17.55685       0.7980082 17.64375       1.125968  17.46915       1.131158  0.2090454      1.906827  
1 1 1 20 28 3  o 12.29675 2.736143  1.522608       0.8748865 2.431597       1.052768  -0.5064870     1.572912  5.745112       5.472285  
1 1 1 20 28 4  o 20.76682 1.842021  4.594210       0.6931013 4.999627       0.8435311 3.751666       1.216034  3.071253       3.684042  
1 1 1 20 28 5  o 59.11150 0.9752730 34.87094       1.102699  34.46680       1.368207  35.62000       1.862697  -0.9250603     1.950546  
1 1 1 20 28 6  o 49.25027 1.154424  23.73287       0.9649915 23.19384       1.097977  25.56247       2.022870  -2.283848      2.308848  
1 1 1 20 28 7  o 53.52748 1.055310  28.78544       1.115285  28.86296       1.465913  28.67889       1.718540  0.2069626      2.110620  
1 1 1 20 28 8  o 9.976110 2.216944  0.9642706      0.6260815 1.744720       0.7288331 -1.233111      1.222949  5.693621       4.433887  
1 1 1 20 28 9  o 37.13395 1.117429  13.55361       0.7561961 13.09512       0.8932606 14.71327       1.420625  -2.057083      2.234859  
1 1 1 20 28 10 o 25.00292 1.517183  6.078562       0.6733567 5.792649       0.7800985 6.914139       1.333603  -2.063778      3.034366  
1 1 1 20 28 11 o 49.19997 1.044708  24.22925       0.9476836 23.94847       1.135111  24.87521       1.721718  -0.7784538     2.089416  
1 1 1 20 28 12 o 35.95896 1.238552  13.34956       0.8575314 14.16195       1.095634  12.06498       1.377729  3.016144       2.477105  
1 1 1 20 28 13 o 8.667264 2.528743  0.2774915      0.6220453 0.1412170      0.7152682 0.7004550      1.260124  -3.063566      5.057487  
1 1 1 20 28 14 o 21.45387 1.814965  4.918480       0.6884522 5.033604       0.8114384 4.622681       1.300682  1.409571       3.629929  
1 1 1 20 28 15 o 12.87473 2.466023  1.533960       0.6563950 0.7809063      0.7879098 3.242099       1.186657  -7.717672      4.932045  
1 1 1 20 28 16 o 20.25193 1.899850  4.224778       0.7196763 3.803853       0.8598714 5.209272       1.315037  -2.703798      3.799701  
1 1 1 20 28 17 o 8.423132 2.717858  -0.2401838     1.012831  -0.9252146E-02 1.315544  -0.5762882     1.587087  0.2836323E-01  5.435715  
1 1 1 20 29 0  o 25.89498 1.896132  6.860810       0.9400995 6.555776       1.194719  7.356766       1.523397  0.000000       0.000000  
1 1 1 20 29 1  o 72.66926 0.8991283 52.92016       1.306564  52.50984       1.828447  53.34830       1.867699  -0.5733948     1.798257  
1 1 1 20 29 2  o 16.27290 2.297817  2.969813       0.6978980 3.544139       0.8795825 1.993787       1.146641  4.957542       4.595633  
1 1 1 20 29 3  o 46.31391 0.9001341 21.47964       0.8333538 20.71779       1.157529  22.29943       1.200739  -1.703434      1.800268  
1 1 1 20 29 4  o 26.84301 1.626826  7.148196       0.8662290 6.342695       1.140755  8.245190       1.331256  -3.510834      3.253652  
1 1 1 20 29 5  o 46.91497 1.050702  21.86659       0.9142318 21.49956       1.098667  22.69292       1.648501  -1.204178      2.101404  
1 1 1 20 29 6  o 39.18904 1.298454  15.39359       0.9114461 15.31866       1.071446  15.58976       1.733771  -0.2360153     2.596908  
1 1 1 20 29 7  o 19.98523 2.021584  4.041571       0.7971738 3.881645       1.036801  4.272829       1.246763  -0.9046898     4.043167  
1 1 1 20 29 8  o 80.04002 1.014231  64.10254       1.528967  63.47782       1.866546  65.37665       2.665606  -1.032143      2.028462  
1 1 1 20 29 9  o 21.32656 1.873957  4.814279       0.7433255 5.174473       0.9198419 4.136366       1.261919  2.564085       3.747914  
1 1 1 20 29 10 o 15.96520 2.587820  2.715029       0.6573845 2.731045       0.7234841 2.639200       1.574247  0.8532257      5.175641  
1 1 1 20 29 11 o 20.58134 1.865146  4.425232       0.6785462 4.511611       0.7976139 4.198954       1.290947  1.013487       3.730291  
1 1 1 20 29 12 o 28.94343 1.385050  8.428479       0.7316331 8.257138       0.8683890 8.847635       1.358226  -0.7682419     2.770101  
1 1 1 20 29 13 o 11.17230 2.635000  1.171594       0.6231326 0.9965690      0.7224120 1.680342       1.231649  -2.710091      5.270000  
1 1 1 20 29 14 o 15.59756 2.398762  2.752868       0.6681319 2.796717       0.7825381 2.634924       1.283389  1.443069       4.797523  
1 1 1 20 29 15 o 11.58777 2.779424  1.393787       0.7033788 1.141905       0.8240502 2.069884       1.350082  -2.861856      5.558848  
1 1 1 20 29 16 o 8.643814 2.595530  0.3835278      0.7391639 0.2729059      0.8995524 0.6134843      1.296966  -1.662237      5.191060  
1 1 1 20 29 17 o 9.176811 2.863212  -0.8539057     1.148524  -3.095766      1.511360  2.210282       1.766938  -6.229861      5.726424  
1 1 1 20 30 0  o 37.53285 1.399166  14.14648       1.020211  13.79660       1.303398  14.69992       1.639262  0.000000       0.000000  
1 1 1 20 30 1  o 81.12126 0.9845741 65.91745       1.580147  65.46100       2.083612  66.53533       2.424188  -0.6268845     1.969148  
1 1 1 20 30 2  o 46.18124 0.9075990 21.32100       0.8368834 20.39212       1.143813  22.39111       1.227698  -2.156197      1.815198  
1 1 1 20 30 3  o 47.70463 0.9623006 22.67118       0.9087413 21.81376       1.192766  23.85747       1.402982  -2.119431      1.924601  
1 1 1 20 30 4  o 45.16990 1.088084  20.61605       0.9597185 21.10562       1.238762  19.88101       1.517869  1.393402       2.176169  
1 1 1 20 30 5  o 50.89474 1.002990  25.11702       0.9373153 23.87014       1.109543  28.22447       1.751597  -4.193310      2.005980  
1 1 1 20 30 6  o 38.85801 1.248505  15.15459       0.9555736 14.87940       1.242463  15.55308       1.495108  -0.8126183     2.497010  
1 1 1 20 30 7  o 58.02968 0.9989058 34.19193       1.084524  34.84399       1.325379  32.87059       1.886695  1.802460       1.997812  
1 1 1 20 30 8  o 40.29123 1.147262  16.28288       0.8403478 16.17100       0.9971987 16.55702       1.560911  -0.3435555     2.294523  
1 1 1 20 30 9  o 27.30132 1.570112  7.718952       0.8217376 8.152694       1.042556  7.007497       1.335235  2.198933       3.140225  
1 1 1 20 30 10 o 11.25169 2.305235  1.447585       0.6640053 2.210306       0.7799839 -0.5604315     1.265571  6.328470       4.610470  
1 1 1 20 30 11 o 26.80006 1.607563  7.499428       0.8247009 7.967473       1.046970  6.734231       1.338680  2.438871       3.215127  
1 1 1 20 30 12 o 16.69373 2.280407  3.137731       0.6551332 3.315272       0.7679672 2.663178       1.255552  2.601787       4.560814  
1 1 1 20 30 13 o 27.34331 1.512121  7.996166       0.7331964 8.382279       0.8708747 7.056301       1.358725  2.766188       3.024241  
1 1 1 20 30 14 o 25.39274 1.578636  6.585189       0.7279049 6.354434       0.8591549 7.172149       1.370250  -1.074053      3.157272  
1 1 1 20 30 15 o 19.95050 2.206953  4.389646       0.7397378 4.318131       0.8565648 4.599489       1.467266  0.6431580      4.413907  
1 1 1 20 30 16 o 28.11345 2.417936  10.11712       1.081977  11.42634       1.290185  7.013945       1.986320  9.608240       4.835872  
1 1 1 20 30 17 o 12.70108 4.899761  0.000000       0.000000  ?              ?         2.458028       1.766552  ?              ?         
1 1 1 20 31 0  o 79.28511 1.591737  63.20541       2.323340  63.08423       2.790365  63.47931       4.195037  0.000000       0.000000  
1 1 1 20 31 1  o 16.02822 1.861711  2.556820       0.5691953 1.847980       0.7417277 3.572188       0.8877320 -5.564048      3.723423  
1 1 1 20 31 2  o 30.99156 1.102325  9.646194       0.6817802 9.639287       0.9338936 9.654076       0.9976240 -0.1494408E-01 2.204650  
1 1 1 20 31 3  o 27.62668 1.406552  7.459121       0.7310151 7.047297       0.8827427 8.357919       1.304094  -2.295223      2.813103  
1 1 1 20 31 4  o 39.30872 1.004654  15.55902       0.7870337 16.19346       1.082857  14.84858       1.145883  1.719559       2.009308  
1 1 1 20 31 5  o 29.04886 1.424912  8.376773       0.8039562 7.936492       1.010499  9.136115       1.327057  -1.984173      2.849823  
1 1 1 20 31 6  o 14.11913 2.416134  2.269562       0.6422449 2.537265       0.7489793 1.525940       1.248302  3.387193       4.832268  
1 1 1 20 31 7  f 28.39551 1.612145  8.102407       0.8939319 7.797421       1.137370  8.595271       1.445854  -1.297838      3.224289  
1 1 1 20 31 8  o 54.85595 1.095593  30.38400       1.181964  30.70489       1.542278  29.92731       1.839938  0.7796936      2.191186  
1 1 1 20 31 9  o 7.932312 2.439119  -0.6274585     0.7189926 -1.297713      0.8806525 0.7124113      1.245134  -4.772990      4.878239  
1 1 1 20 31 10 o 17.90507 2.231153  3.066983       0.7479942 2.354644       0.9056612 4.595594       1.326695  -6.233749      4.462306  
1 1 1 20 31 11 f 15.27589 2.566636  2.462308       0.7140751 2.294211       0.8421350 2.892406       1.347054  -1.424836      5.133272  
1 1 1 20 31 12 o 43.74337 1.158877  19.40597       0.9261711 19.39368       1.105095  19.43498       1.697748  0.2113457      2.317755  
1 1 1 20 31 13 o 33.97917 1.270524  11.83240       0.8237569 11.75423       1.021648  11.97766       1.392648  -0.4592133E-01 2.541049  
1 1 1 20 31 14 o 9.381752 2.685652  0.5450307      0.7023610 0.3161755      0.8180973 1.186591       1.369756  -3.209106      5.371305  
1 1 1 20 31 15 o 13.55908 3.183056  2.363012       1.006685  2.001970       1.349502  2.815984       1.511579  -1.959239      6.366112  
1 1 1 20 31 16 o 17.35473 3.071396  3.748152       0.9920014 3.352299       1.178224  4.712029       1.838535  -1.739288      6.142791  
1 1 1 20 32 0  o 110.7797 1.555258  123.2500       3.435620  120.8120       4.689975  126.0734       5.047052  0.000000       0.000000  
1 1 1 20 32 1  o 46.80149 0.9456168 22.02841       0.8831159 20.72571       1.264424  23.26910       1.233962  -2.721130      1.891234  
1 1 1 20 32 2  o 51.60324 1.079604  26.75707       1.107634  26.75895       1.487946  26.75474       1.658809  0.3091431E-01  2.159207  
1 1 1 20 32 3  o 32.04557 1.180486  10.43120       0.7496353 9.208933       1.089496  11.53008       1.033044  -3.632809      2.360973  
1 1 1 20 32 4  o 48.79651 0.9676355 23.98219       0.9410138 21.67274       1.330863  26.29116       1.330726  -4.732353      1.935271  
1 1 1 20 32 5  o 53.77464 1.172685  28.75717       1.102957  28.36539       1.276325  29.91261       2.191855  -1.238491      2.345370  
1 1 1 20 32 6  o 14.86759 2.593213  2.686036       0.7394689 3.128731       0.8460588 1.253672       1.521862  5.331420       5.186426  
1 1 1 20 32 7  o 9.436188 2.595794  0.6415111      0.6604233 0.7547573      0.7731545 0.3358760      1.270153  -0.4634380     5.191588  
1 1 1 20 32 8  o 23.77198 2.204867  6.428540       0.7926719 6.819602       0.8982157 5.051694       1.685390  4.414534       4.409735  
1 1 1 20 32 9  o 9.326566 2.732963  0.1256561      0.8572205 -0.4901285     1.133360  0.9488581      1.310408  -3.272830      5.465925  
1 1 1 20 32 10 o 32.36256 1.624696  10.75083       1.050179  10.91613       1.455312  10.57124       1.516961  0.5673904      3.249393  
1 1 1 20 32 11 o 20.17805 1.856826  3.675225       0.6684110 3.096492       0.7648842 5.545142       1.374890  -5.622719      3.713651  
1 1 1 20 32 12 o 12.31027 2.896488  1.581625       0.8123304 1.260866       1.017218  2.146279       1.349636  -2.695769      5.792976  
1 1 1 20 32 13 o 24.98809 1.733245  6.787284       0.8191479 7.288419       1.032516  5.936168       1.345592  3.062912       3.466490  
1 1 1 20 32 14 o 12.22954 2.858930  1.600410       0.7475147 1.305782       0.8788552 2.371126       1.421439  -3.029163      5.717860  
1 1 1 20 32 15 o 15.78956 2.636834  3.220404       0.8835669 4.324206       1.179430  1.808579       1.333881  7.591051       5.273668  
1 1 1 20 32 16 o 9.869484 2.921828  1.001989       0.9830601 1.358295       1.173258  0.1624047      1.801001  1.147943       5.843656  
1 1 1 20 33 0  o 9.852564 3.646703  1.470727       0.9552470 1.751959       1.278772  1.115667       1.436850  0.000000       0.000000  
1 1 1 20 33 1  o 27.64833 1.428736  7.792171       0.7615367 7.989786       0.9641334 7.464365       1.241746  1.022026       2.857472  
1 1 1 20 33 2  o 62.31423 0.9035186 38.98361       1.125855  39.61029       1.610230  38.38423       1.574761  0.9779091      1.807037  
1 1 1 20 33 3  o 105.4417 1.151125  112.1845       2.410884  109.8830       3.607012  114.0428       3.241252  -2.050629      2.302251  
1 1 1 20 33 4  o 63.45871 0.8891766 40.34083       1.126384  38.64687       1.536307  42.30984       1.656353  -2.863888      1.778353  
1 1 1 20 33 5  o 18.19730 2.257602  3.382420       0.7762482 3.154052       0.9685247 3.792596       1.298012  -1.275581      4.515204  
1 1 1 20 33 6  o 30.85192 1.697865  9.691471       1.046625  9.183669       1.477288  10.20323       1.483030  -1.650230      3.395730  
1 1 1 20 33 7  o 38.14191 1.666679  13.48271       1.017967  12.66852       1.124642  17.17411       2.394671  -5.403641      3.333357  
1 1 1 20 33 8  o 26.13633 1.873472  6.778295       0.8714558 6.495498       1.012994  7.583503       1.709319  -1.711967      3.746945  
1 1 1 20 33 9  o 18.82661 2.455825  4.357173       0.8500841 6.029064       1.102524  1.906087       1.334945  10.92587       4.911650  
1 1 1 20 33 10 o 27.41326 1.959028  7.819903       0.9191667 7.834163       1.058357  7.776133       1.854223  0.6424217      3.918055  
1 1 1 20 33 11 o 9.474038 2.673294  0.5310593      0.6937187 0.3835373      0.8139537 0.9226978      1.326215  -2.679403      5.346587  
1 1 1 20 33 12 o 8.587326 2.503980  0.3878027      0.7143681 0.8095618      0.8447485 -0.6710063     1.338456  1.330704       5.007960  
1 1 1 20 33 13 o 20.18166 2.541311  4.904681       0.9351940 5.548144       1.180133  3.818527       1.533256  5.201031       5.082622  
1 1 1 20 33 14 o 18.18775 2.896003  3.583571       1.107905  7.239552       1.877825  1.631422       1.372175  12.98570       5.792006  
1 1 1 20 33 15 o 25.27945 3.294331  8.864086       1.558799  11.61323       2.097462  5.472338       2.329739  12.89547       6.588661  
1 1 1 20 34 0  o 55.92220 1.760031  31.54308       1.793354  32.20358       3.291061  31.26411       2.138790  0.000000       0.000000  
1 1 1 20 34 1  o 52.27080 0.9353140 27.46304       0.9777046 27.05705       1.383279  27.86833       1.382088  -0.7762604     1.870628  
1 1 1 20 34 2  o 14.54284 2.279165  2.206376       0.6427515 1.805312       0.8442535 2.759356       0.9913344 -3.126843      4.558330  
1 1 1 20 34 3  o 38.93189 1.068875  15.20141       0.8291508 14.60355       1.116829  15.93561       1.237649  -1.682999      2.137751  
1 1 1 20 34 4  o 45.21344 0.9605383 20.56736       0.8676566 20.85830       1.204670  20.25374       1.250729  0.6778793      1.921077  
1 1 1 20 34 5  o 43.90715 0.9587444 19.36471       0.8394483 19.07382       1.140448  19.70867       1.240125  -0.7016945     1.917489  
1 1 1 20 34 6  f 30.56747 1.928646  10.63248       1.018711  12.21088       1.233376  7.244266       1.807061  8.372717       3.857292  
1 1 1 20 34 7  o 54.48950 1.081544  29.27809       1.072818  28.33800       1.266898  31.66082       2.016951  -2.819187      2.163088  
1 1 1 20 34 8  o 40.08624 1.253210  16.04250       0.9433966 15.61433       1.144287  16.95113       1.666931  -1.480751      2.506420  
1 1 1 20 34 9  o 12.92918 2.852264  1.855517       0.8284358 2.149009       1.069063  1.414366       1.310686  1.955299       5.704528  
1 1 1 20 34 10 o 25.48712 2.882179  7.947561       0.8977846 8.226099       0.9640120 6.126778       2.464731  5.932886       5.764359  
1 1 1 20 34 11 o 10.69538 2.891602  0.8978281      0.7555385 0.6639915      0.8636047 1.660699       1.559855  -3.580590      5.783203  
1 1 1 20 34 12 o 16.20515 2.900542  2.901563       0.9060870 2.901563       0.9060870 ?              ?         ?              ?         
1 1 1 20 34 13 o 16.25743 2.580163  3.910104       0.7910922 4.620347       0.8920593 1.294582       1.711864  9.428874       5.160326  
1 1 1 20 34 14 o 25.52657 1.881835  7.131328       0.9578603 6.821256       1.295975  7.504648       1.422020  -1.105158      3.763671  
1 1 1 20 34 15 o 13.53100 3.067068  2.575657       0.9366524 2.341310       1.268466  2.856647       1.388975  -1.171146      6.134136  
1 1 1 20 35 0  o 8.318584 3.300374  0.9759889      0.8406422 1.265112       1.086837  0.5454262      1.326298  0.000000       0.000000  
1 1 1 20 35 1  o 21.76243 1.786992  4.945234       0.7381938 4.414514       1.218616  5.252868       0.9277935 -2.032927      3.573983  
1 1 1 20 35 2  o 19.79189 1.670093  3.992155       0.6593511 4.161105       0.9134663 3.808381       0.9526970 0.9049931      3.340185  
1 1 1 20 35 3  f 18.76449 1.784136  3.649471       0.6303204 2.549114       0.8634478 4.904864       0.9222724 -6.464930      3.568272  
1 1 1 20 35 4  f 25.86555 1.326727  6.734997       0.6844918 7.439003       1.005874  6.127826       0.9341369 2.512512       2.653454  
1 1 1 20 35 5  f 12.74606 2.496243  1.783929       0.6820570 2.276905       0.9123271 1.159279       1.026966  3.597132       4.992486  
1 1 1 20 35 6  o 12.14026 2.891358  1.490881       0.7487229 1.547405       0.8464524 1.287629       1.605116  -0.3083391     5.782716  
1 1 1 20 35 7  o 21.26346 2.627062  5.574430       0.9029058 6.345261       1.056663  3.488749       1.738123  7.400858       5.254125  
1 1 1 20 35 8  o 30.06524 1.635455  8.945055       0.7958927 8.704217       0.8890715 9.916739       1.785818  -1.483625      3.270911  
1 1 1 20 35 9  o 30.91570 1.729996  9.576118       0.9331895 9.264889       1.075334  10.52544       1.878060  -1.495461      3.459992  
1 1 1 20 35 10 o 23.69733 1.875838  5.756643       0.7966275 5.597847       0.9338238 6.181120       1.526756  -0.7066956     3.751677  
1 1 1 20 35 11 o 17.13710 2.479444  3.365206       0.7642188 3.424371       0.9105425 3.224199       1.405672  1.661894       4.958889  
1 1 1 20 35 12 o 22.65367 2.234914  6.135262       0.8201860 6.630492       0.9631932 4.829000       1.564318  5.205950       4.469828  
1 1 1 20 35 13 o 12.06150 3.046991  1.552862       0.8893335 1.026366       1.075280  2.692742       1.582172  -4.194039      6.093982  
1 1 1 20 35 14 o 15.10036 2.646562  2.851548       0.9477407 4.663923       1.316641  0.9027405      1.365299  10.07745       5.293124  
1 1 1 20 36 0  o 8.220813 3.502810  0.7920381      0.9207199 0.8385607      1.052841  0.6407880      1.898360  0.000000       0.000000  
1 1 1 20 36 1  o 17.11097 1.894258  2.997521       0.6474680 2.813287       0.9104518 3.186030       0.9209545 -1.084578      3.788515  
1 1 1 20 36 2  o 40.98638 1.149233  16.60867       0.9089994 18.22466       1.527071  15.72185       1.131250  2.944641       2.298466  
1 1 1 20 36 3  o 34.02336 1.086689  11.69934       0.7369596 12.81199       1.043015  10.59008       1.041424  3.264820       2.173379  
1 1 1 20 36 4  o 29.26592 1.310052  8.739799       0.7569203 9.089150       1.005899  8.283772       1.149263  1.428656       2.620103  
1 1 1 20 36 5  o 29.54537 1.192357  8.833317       0.7042520 9.103334       0.9934675 8.560569       0.9984770 0.9202404      2.384713  
1 1 1 20 36 6  o 24.21364 1.843203  6.447542       0.8284667 8.055176       1.092781  4.274675       1.270446  7.896721       3.686406  
1 1 1 20 36 7  o 24.58321 1.708831  5.998768       0.7874529 5.594372       0.9462987 6.909299       1.419945  -2.369976      3.417662  
1 1 1 20 36 8  o 25.26386 1.674935  6.317606       0.7858361 5.902412       0.9368423 7.303243       1.443441  -2.441484      3.349870  
1 1 1 20 36 9  o 13.62437 2.735808  1.921620       0.6987960 1.759230       0.8026696 2.430057       1.420290  -1.942241      5.471616  
1 1 1 20 36 10 o 8.798031 2.596610  0.4121406      0.7424173 0.6185803      0.9011456 -0.2402234E-01 1.309853  0.1062784      5.193221  
1 1 1 20 36 11 o 12.44773 2.789209  1.964755       0.8057784 2.359873       0.9025658 0.4132163      1.788534  3.950281       5.578418  
1 1 1 20 36 12 o 17.63588 2.634039  3.361082       0.8119401 2.944645       0.9399185 4.585591       1.611746  -3.037844      5.268078  
1 1 1 20 36 13 o 9.153023 2.769752  0.2293382      0.9365953 -0.6299298     1.258596  1.295697       1.402083  -3.420426      5.539504  
1 1 1 20 36 14 o 9.066808 2.760712  0.5839404      0.9215810 0.9748502      1.258629  0.1321336      1.353119  1.247334       5.521424  
1 1 1 20 37 0  o 27.46490 1.908122  7.410673       0.9924800 6.262228       1.220478  9.652747       1.705296  0.000000       0.000000  
1 1 1 20 37 1  o 22.11137 1.561677  4.983180       0.6876107 4.968410       0.9297423 5.001013       1.021591  -0.3311920E-01 3.123354  
1 1 1 20 37 2  o 24.53064 1.506409  6.168607       0.7224203 7.856627       1.042483  4.609049       1.002031  6.602287       3.012818  
1 1 1 20 37 3  o 30.70292 1.258043  9.552349       0.7672253 9.587361       1.028036  9.508332       1.152669  0.1736298      2.516086  
1 1 1 20 37 4  o 30.66810 1.406621  9.545027       0.8448390 9.601304       1.338852  9.507792       1.089035  0.5337906E-01  2.813241  
1 1 1 20 37 5  o 18.57164 2.382681  3.689995       0.8382093 3.702185       1.065327  3.670184       1.358093  0.6521568      4.765362  
1 1 1 20 37 6  o 23.25283 1.457439  5.489629       0.6751761 6.190454       0.9996783 4.901803       0.9155455 2.725470       2.914878  
1 1 1 20 37 7  o 16.04213 2.711300  2.783343       0.8316105 2.506371       1.033676  3.291545       1.400185  -1.978270      5.422600  
1 1 1 20 37 8  o 11.73760 2.870998  1.365942       0.7709587 1.266165       0.9202937 1.600757       1.411797  -1.519686      5.741997  
1 1 1 20 37 9  o 10.24667 2.565137  1.063348       0.7432120 1.674335       0.8739102 -0.5334311     1.412776  3.795304       5.130274  
1 1 1 20 37 10 o 14.18615 3.121088  2.411511       0.9162270 2.427739       1.061067  2.363942       1.816630  0.4826832      6.242177  
1 1 1 20 37 11 f 23.56779 1.916683  6.199691       0.8173386 6.541741       0.9889579 5.462572       1.451785  2.951183       3.833367  
1 1 1 20 37 12 f 8.269268 2.649169  -0.6604677     0.9204223 -1.476427      1.142209  0.8506081      1.554370  -4.155996      5.298337  
1 1 1 20 37 13 o 11.06460 2.940527  1.269426       0.9531586 0.2472400      1.315246  2.400071       1.383264  -4.592336      5.881053  
1 1 1 20 38 0  o 25.77152 2.145378  6.889320       1.055723  6.403247       1.339270  7.687078       1.715747  0.000000       0.000000  
1 1 1 20 38 1  o 13.92878 2.463195  2.124107       0.6826164 2.251590       0.9121695 1.961844       1.029105  1.015584       4.926390  
1 1 1 20 38 2  o 36.74236 1.164707  13.81796       0.8442919 15.07319       1.140505  12.29605       1.255827  3.817936       2.329414  
1 1 1 20 38 3  o 67.01917 0.9354847 45.27744       1.253392  45.28536       1.747838  45.26906       1.798368  0.2752686E-01  1.870969  
1 1 1 20 38 4  o 15.16936 2.305471  2.458956       0.6956663 3.217632       1.021780  1.803406       0.9497998 4.751347       4.610943  
1 1 1 20 38 5  o 36.56238 1.272105  13.43914       0.9111543 14.31272       1.461187  12.88334       1.165507  1.819927       2.544211  
1 1 1 20 38 6  o 14.56222 2.826668  2.270683       0.7799238 2.658952       1.504537  2.128008       0.9120319 1.331736       5.653337  
1 1 1 20 38 7  o 11.14036 2.812941  0.8834187      0.7387731 0.4176126      0.8628026 2.163256       1.430165  -5.536372      5.625882  
1 1 1 20 38 8  o 11.55341 2.849875  1.423108       0.7636749 1.393119       0.9098712 1.494592       1.404757  -0.7247343     5.699750  
1 1 1 20 38 9  o 15.25413 2.606946  2.875714       0.7633539 3.189485       0.9013290 2.079676       1.435632  4.106700       5.213892  
1 1 1 20 38 10 o 16.15481 2.860286  3.165335       0.8777362 3.160001       1.057298  3.177164       1.574383  0.8893890      5.720572  
1 1 1 20 38 11 o 13.54670 3.007793  2.280947       0.8622285 2.182491       1.030973  2.510067       1.572737  -0.3737621     6.015586  
1 1 1 20 38 12 o 7.972177 2.588129  -0.4930559     0.9542480 0.1465794      1.358925  -1.115268      1.340289  1.611983       5.176259  
1 1 1 20 38 13 o 13.38045 2.937827  2.324057       0.9729438 0.9499438      1.314500  3.988946       1.446912  -7.345653      5.875654  
1 1 1 20 39 0  o 12.82866 4.099180  2.564710       1.080151  2.689489       1.197643  2.020725       2.500637  0.000000       0.000000  
1 1 1 20 39 1  o 30.37619 1.369828  9.412053       0.8290543 9.415209       1.226510  9.409399       1.124978  -0.4298210E-01 2.739655  
1 1 1 20 39 2  o 34.99643 1.131673  12.40577       0.7918826 12.69569       1.135719  12.13147       1.104707  0.7930908      2.263346  
1 1 1 20 39 3  o 20.63948 1.826306  4.404993       0.7506461 4.940827       1.075885  3.896749       1.047819  2.510994       3.652612  
1 1 1 20 39 4  o 14.93521 2.495225  2.469156       0.7334175 2.463401       1.008950  2.475605       1.067983  0.1782608E-01  4.990449  
1 1 1 20 39 5  o 23.00733 1.511658  5.436338       0.6885483 4.494983       0.9585261 6.439986       0.9897323 -4.208851      3.023317  
1 1 1 20 39 6  o 28.01316 1.335690  8.022921       0.7475322 7.521996       1.043842  8.550271       1.071022  -1.818785      2.671380  
1 1 1 20 39 7  o 8.370663 2.566101  0.1478730      0.7510533 0.3261112      0.8891580 -0.2959743     1.403122  -0.5195017     5.132202  
1 1 1 20 39 8  o 10.00509 2.875769  0.7279913      0.9235718 1.155160       1.215915  0.1454338      1.419949  1.511292       5.751538  
1 1 1 20 39 9  o 11.63812 2.970983  1.515716       0.8761751 1.370488       1.136882  1.728150       1.374998  -1.065210      5.941966  
1 1 1 20 39 10 f 9.527706 2.856891  0.5894001      0.9281242 0.8041998      1.132492  0.1500250      1.619706  0.1057634      5.713782  
1 1 1 20 39 11 o 10.87695 3.067005  1.290971       1.000070  1.253522       1.354474  1.335855       1.482853  -0.2923031     6.134011  
1 1 1 20 39 12 o 9.752606 2.992164  0.2874547      1.091026  2.053233       1.785753  -0.7642300     1.378149  4.588025       5.984329  
1 1 1 20 40 0  o 60.85321 1.437544  37.75625       1.731840  39.26013       2.339513  35.93312       2.575898  0.000000       0.000000  
1 1 1 20 40 1  f 42.11128 1.111308  17.91527       0.9310091 18.59307       1.400674  17.37878       1.246127  1.373333       2.222616  
1 1 1 20 40 2  o 13.86926 2.407635  2.122870       0.6632392 2.210493       0.9629135 2.043774       0.9148548 0.5302439      4.815270  
1 1 1 20 40 3  o 33.55697 1.304584  11.37089       0.8712049 12.47237       1.314686  10.50848       1.163297  2.850220       2.609168  
1 1 1 20 40 4  o 14.68855 2.367657  2.258751       0.7173009 3.509317       1.088050  1.297432       0.9539583 7.166984       4.735315  
1 1 1 20 40 5  o 29.71179 1.378656  8.861943       0.8082678 10.62505       1.275475  7.678802       1.044841  4.781240       2.757313  
1 1 1 20 40 6  o 6.656650 2.228187  -1.091732      0.7919123 -1.065496      1.155325  -1.114982      1.087606  0.3128710      4.456373  
1 1 1 20 40 7  o 30.28615 1.538646  9.532366       0.8953702 9.394383       1.118637  9.778374       1.493652  -0.2496529     3.077292  
1 1 1 20 40 8  o 24.11657 2.423221  6.970156       0.9597193 7.466937       1.131355  5.695255       1.812404  5.142143       4.846443  
1 1 1 20 40 9  o 18.30511 2.937740  4.250122       1.078458  5.042768       1.439191  3.235030       1.628662  5.420055       5.875479  
1 1 1 20 40 10 o 12.38770 3.168007  1.767756       0.9688348 1.281224       1.186987  2.738799       1.676908  -3.416635      6.336015  
1 1 1 20 40 11 o 15.09112 2.837538  2.893329       0.9870510 4.778480       1.434979  1.200406       1.359850  9.131371       5.675076  
1 1 1 20 41 0  o 6.871814 3.174582  0.8340594E-01  1.009199  -0.1274861E-01 1.299231  0.2296776      1.602439  0.000000       0.000000  
1 1 1 20 41 1  o 7.836545 2.527683  -0.4154403     0.8087429 -0.8532045E-01 0.9291924 -1.446904      1.642467  -0.7008448     5.055367  
1 1 1 20 41 2  o 26.17417 1.531996  7.042826       0.7950755 6.842474       1.051392  7.310429       1.215105  -0.7708817     3.063993  
1 1 1 20 41 3  o 14.88665 2.386909  2.501203       0.6950263 2.590835       0.9769405 2.409345       0.9890020 0.6073446      4.773819  
1 1 1 20 41 4  o 8.993826 2.479570  0.4892910      0.6824158 1.202850       0.9992222 -0.1344462     0.9342173 3.350436       4.959139  
1 1 1 20 41 5  o 6.965175 2.225070  -0.3443547     0.6661742 -0.5802420     0.9512581 -0.1173256     0.9332260 -0.6856570     4.450139  
1 1 1 20 41 6  o 9.982237 2.510844  0.7904471      0.6997548 1.825637       1.035728  -0.7888911E-01 0.9491378 5.079662       5.021688  
1 1 1 20 41 7  o 13.46617 2.597497  2.160983       0.7181882 2.242158       0.9661863 2.060750       1.073632  0.7163858      5.194994  
1 1 1 20 41 8  o 14.69608 2.952895  2.851145       0.9225637 3.227241       1.120081  2.057742       1.626847  3.720181       5.905790  
1 1 1 20 41 9  o 15.07542 2.956437  3.335812       1.014412  3.908907       1.132339  1.006322       2.282936  7.158382       5.912873  
1 1 1 20 41 10 o 15.06526 3.057840  3.029358       1.018035  3.891041       1.403943  2.073886       1.478376  4.920405       6.115680  
1 1 1 20 41 11 o 12.09027 4.343311  2.041572       1.340935  2.041572       1.340935  ?              ?         ?              ?         
1 1 1 20 42 0  o 8.422565 3.978645  -1.687573      1.516096  2.644110       2.926455  -3.276659      1.772504  0.000000       0.000000  
1 1 1 20 42 1  o 21.10668 1.877498  4.714748       0.7901993 5.243408       1.149825  4.241607       1.087776  2.301155       3.754996  
1 1 1 20 42 2  o 38.59428 1.222559  15.25445       0.9403945 15.84166       1.399126  14.77057       1.270060  1.285934       2.445118  
1 1 1 20 42 3  o 14.60858 2.314962  2.388486       0.7211345 3.917005       1.052063  1.033881       0.9904041 9.000037       4.629923  
1 1 1 20 42 4  o 21.38058 2.087052  4.670471       0.8667535 6.311061       1.446370  3.751183       1.082693  5.479372       4.174105  
1 1 1 20 42 5  o 10.81243 2.650311  1.290213       0.7011769 1.374263       0.9969308 1.207933       0.9863809 0.5045214      5.300622  
1 1 1 20 42 6  o 10.66053 2.762278  1.226211       0.7902037 1.559442       1.021418  0.7294554      1.247101  1.801024       5.524556  
1 1 1 20 42 7  o 30.68705 1.912033  10.31092       1.105522  10.38479       1.362666  10.16868       1.890946  1.234648       3.824066  
1 1 1 20 42 8  o 11.46465 3.193272  1.369309       0.9484848 1.194884       1.080834  1.953556       1.978123  -2.171312      6.386545  
1 1 1 20 42 9  o 14.79829 3.175317  2.878553       1.002784  2.692105       1.280944  3.173697       1.611640  -0.7377319     6.350634  
1 1 1 20 42 10 o 15.93386 3.057068  3.540580       0.9996737 3.775274       1.436728  3.320321       1.391844  1.121665       6.114135  
1 1 1 20 43 0  o 36.63582 1.739549  13.75130       1.241186  12.82991       1.592788  15.17583       1.980482  0.000000       0.000000  
1 1 1 20 43 1  o 44.86604 1.180553  20.52619       1.047045  21.50617       1.623201  19.82785       1.370226  1.671963       2.361107  
1 1 1 20 43 2  o 14.49200 2.773541  2.601075       0.8349714 1.910897       1.383677  2.996329       1.047110  -3.474189      5.547082  
1 1 1 20 43 3  o 17.24987 2.345942  3.390357       0.7798061 3.512165       1.122588  3.276769       1.084046  0.6096439      4.691885  
1 1 1 20 43 4  o 8.305695 2.479519  0.2963502E-01  0.7486230 -0.7435449     1.010660  0.9695939      1.114344  -3.459604      4.959038  
1 1 1 20 43 5  o 7.266181 2.327345  -0.4558586     0.7283861 -0.9292666     0.9551929 0.2019047      1.125921  -2.309347      4.654690  
1 1 1 20 43 6  o 14.95347 3.119728  2.737177       0.9355787 2.412273       1.117905  3.496759       1.709286  -1.999164      6.239457  
1 1 1 20 43 7  o 8.492917 2.687487  -0.8381965E-02 0.9432557 0.3569461      1.202768  -0.5920274     1.520250  0.5209236      5.374974  
1 1 1 20 43 8  o 11.30036 3.086377  1.499084       0.9956318 1.689924       1.317309  1.244820       1.520526  0.8071346      6.172754  
1 1 1 20 43 9  o 14.53399 2.557554  3.096654       1.177910  5.370489       1.396695  -2.504215      2.192046  13.21025       5.115108  
1 1 1 20 44 0  o 8.940382 3.823057  1.204149       1.107078  1.320659       1.232571  0.7177972      2.518283  0.000000       0.000000  
1 1 1 20 44 1  o 8.601408 2.568344  0.3395275      0.7525318 0.1689840      0.9980278 0.5642589      1.145663  -1.202301      5.136688  
1 1 1 20 44 2  o 12.14282 2.678543  1.776162       0.7727180 2.383731       1.014372  0.9361297      1.192746  4.116025       5.357086  
1 1 1 20 44 3  o 23.44973 2.129544  6.064497       0.9761109 6.231596       1.555726  5.956005       1.253558  0.4812241E-01  4.259088  
1 1 1 20 44 4  o 13.97058 2.742690  2.425761       0.7864253 2.477467       1.010359  2.346286       1.252637  0.7844839      5.485381  
1 1 1 20 44 5  o 20.53935 2.653333  5.013203       0.9679169 4.976123       1.156646  5.099840       1.768010  1.515015       5.306667  
1 1 1 20 44 6  o 20.61734 2.462535  5.075928       0.9429590 5.260510       1.191466  4.766501       1.542641  2.379911       4.925069  
1 1 1 20 44 7  o 14.23861 2.794748  2.536414       1.065162  4.740424       1.451519  -0.3533366E-01 1.567942  10.62249       5.589495  
1 1 1 20 44 8  o 13.17668 3.328859  2.627019       1.211958  1.341044       1.841454  3.609739       1.609753  -4.699869      6.657719  
1 1 1 20 45 0  o 29.15175 3.250973  10.24813       1.459041  10.54868       1.716086  9.464198       2.771545  0.000000       0.000000  
1 1 1 20 45 1  o 14.71692 2.859031  2.722368       0.8539513 2.729971       1.080892  2.709741       1.392953  0.6128359      5.718061  
1 1 1 20 45 2  o 20.42839 2.333122  4.628786       0.8580906 4.343009       1.025837  5.294634       1.565861  -0.8607998     4.666244  
1 1 1 20 45 3  o 33.71230 1.488213  12.02810       1.002502  12.41112       1.456147  11.68297       1.382242  0.9750671      2.976425  
1 1 1 20 45 4  o 39.41340 1.518947  16.97375       1.160256  20.17149       1.579948  13.23061       1.709383  8.997513       3.037893  
1 1 1 20 45 5  o 12.46855 3.096404  1.884477       0.9186904 1.577723       1.128596  2.486933       1.581634  -2.159196      6.192809  
1 1 1 20 45 6  o 8.370037 2.803614  -0.6806390     1.194439  -0.8850306     2.033055  -0.5729024     1.476043  0.8764830      5.607227  
1 1 1 20 45 7  o 17.47346 2.942774  4.255510       1.080621  5.502224       1.483597  2.846616       1.577147  7.450792       5.885549  
1 1 1 20 46 0  o 35.85230 2.756552  13.75333       1.953497  13.75333       1.953497  13.75333       1.953497  0.000000       0.000000  
1 1 1 20 46 1  f 31.48154 1.818866  10.68605       1.131817  11.78634       1.767957  9.921964       1.473295  2.429188       3.637733  
1 1 1 20 46 2  o 15.42942 3.235864  3.229802       1.079054  3.512486       1.454166  2.883420       1.609681  1.917141       6.471727  
1 1 1 20 46 3  o 9.889031 3.152465  0.2725846      1.266990  0.2825891      2.181095  0.2674894      1.556542  1.077780       6.304930  
1 1 1 20 46 4  o 26.87977 4.822342  0.000000       0.000000  ?              ?         10.09471       2.498422  ?              ?         
1 1 1 20 46 5  f 21.62136 2.963599  6.032911       1.215246  7.588336       1.956404  5.055717       1.550689  4.267218       5.927197  
1 1 1 20 47 0  o 6.803472 3.328192  -0.7758569     1.538345  0.5537674      1.970930  -2.848613      2.460825  0.000000       0.000000  
1 1 1 20 47 1  o 8.170219 2.673886  -0.6510391     1.062779  -1.816904      1.449351  0.7049650      1.563076  -2.957963      5.347771  
1 1 1 20 47 2  o 9.093014 2.984055  -0.8321663E-01 1.297656  0.5503145      1.536151  -1.661687      2.424757  0.5462866      5.968110  
1 1 1 20 47 3  o 13.43437 3.622809  2.326109       1.230065  1.452451       1.433077  4.771122       2.397396  -5.311188      7.245618  
1 1 1 21 0  1  o 66.10931 1.283805  44.19057       1.621025  45.14110       2.029462  42.51534       2.694219  0.000000       0.000000  
1 1 1 21 0  2  o 158.7998 1.959688  252.4649       6.217104  247.9479       8.641673  257.3110       8.951114  0.000000       0.000000  
1 1 1 21 0  3  o 20.16481 2.045940  4.287818       0.7885414 4.534914       1.106045  4.032399       1.124516  0.000000       0.000000  
1 1 1 21 0  4  o 288.6688 3.494714  836.2571       20.15740  848.3644       28.92324  824.8229       28.10798  0.000000       0.000000  
1 1 1 21 0  5  o 90.86385 1.596081  82.40063       2.674770  83.74142       4.834786  81.80926       3.210911  0.000000       0.000000  
1 1 1 21 0  6  o 11.31147 3.293046  1.811600       0.7908844 2.376442       1.093231  1.191388       1.145562  0.000000       0.000000  
1 1 1 21 0  7  o 71.68673 2.384268  51.61182       3.410112  51.61182       3.410112  51.61182       3.410112  0.000000       0.000000  
1 1 1 21 0  8  f 137.2349 3.494843  189.1384       9.578503  189.1384       9.578503  189.1384       9.578503  0.000000       0.000000  
1 1 1 21 0  9  o 100.9973 2.004067  102.4517       4.037745  101.8783       5.820199  102.9837       5.606277  0.000000       0.000000  
1 1 1 21 0  10 o 7.819869 3.589261  -0.1568142     1.348877  -1.307424      2.070684  0.6913518      1.777830  0.000000       0.000000  
1 1 1 21 0  11 o 64.88670 1.879071  42.67491       2.401378  40.59871       3.632275  44.28700       3.200651  0.000000       0.000000  
1 1 1 21 0  12 o 14.36448 4.579306  2.812742       1.301786  3.660548       2.422413  2.468487       1.543621  0.000000       0.000000  
1 1 1 21 0  13 o 12.43390 5.987403  2.334228       1.711602  2.334228       1.711602  2.334228       1.711602  0.000000       0.000000  
1 1 1 21 0  14 o 45.69300 1.963828  21.21713       1.755706  21.47383       2.725952  21.03516       2.295142  0.000000       0.000000  
1 1 1 21 0  15 o 19.53531 4.411031  4.897873       1.494620  5.404251       2.343034  4.550446       1.940764  0.000000       0.000000  
1 1 1 21 0  16 f 9.753174 4.238909  0.9711211      1.534382  1.398441       2.403662  0.6772345      1.993365  0.000000       0.000000  
1 1 1 21 0  17 o 20.65150 4.676685  5.997191       1.656648  5.043081       3.129036  6.368807       1.952799  0.000000       0.000000  
1 1 1 21 0  18 o 11.37762 4.233252  1.950522       1.583084  -1.350726      2.959414  3.273854       1.873704  0.000000       0.000000  
1 1 1 21 0  19 o 8.514590 4.044984  -0.1962084     1.692275  1.113072       3.000482  -0.8069670     2.049319  0.000000       0.000000  
1 1 1 21 0  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 0  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 1  0  o 95.55663 1.281430  91.44010       2.446984  91.51117       3.452340  91.36835       3.468834  0.000000       0.000000  
1 1 1 21 1  1  o 38.70935 0.9346074 14.97276       0.7226417 15.30541       1.053306  14.67695       0.9932731 0.8109512      1.869215  
1 1 1 21 1  2  o 28.97087 1.083567  8.536942       0.6141793 7.614721       0.9423474 9.217984       0.8098038 -2.769138      2.167134  
1 1 1 21 1  3  o 55.56151 0.9523603 29.05455       1.019639  24.46711       1.253034  38.04610       1.754266  -12.21222      1.904721  
1 1 1 21 1  4  o 65.16357 1.050556  42.23805       1.362703  44.94796       2.050354  40.09393       1.823788  3.720303       2.101112  
1 1 1 21 1  5  o 122.3803 1.276885  149.1958       3.115661  141.3230       4.209056  158.7383       4.633945  -7.104675      2.553770  
1 1 1 21 1  6  o 114.0552 1.131504  130.4586       2.558151  128.1819       3.867202  132.2299       3.411115  -1.786812      2.263008  
1 1 1 21 1  7  o 71.65469 1.451698  49.90745       1.918523  55.31273       3.547282  47.67263       2.280905  5.285507       2.903395  
1 1 1 21 1  8  o 13.87308 3.437944  1.248138       1.275291  -0.1037133     1.690243  3.034817       1.943158  -6.775818      6.875888  
1 1 1 21 1  9  o 72.55037 1.251238  52.55769       1.809405  50.96953       2.444990  54.48057       2.690339  -2.409874      2.502476  
1 1 1 21 1  10 o 60.94297 1.256004  37.16684       1.528284  36.66256       2.094676  37.74081       2.234757  -0.8783455     2.512008  
1 1 1 21 1  11 o 75.91268 1.304512  56.98552       1.962749  52.23222       2.573799  63.59129       3.034160  -7.450378      2.609024  
1 1 1 21 1  12 o 33.21840 1.595867  10.92413       1.051454  9.282110       1.398633  13.05828       1.594509  -5.662104      3.191734  
1 1 1 21 1  13 o 12.15773 3.294769  0.5118250      1.246063  -1.032853      1.714769  2.240062       1.813795  -5.870503      6.589539  
1 1 1 21 1  14 o 14.02121 3.094832  2.019877       0.9623311 1.813366       1.326308  2.249461       1.398439  -1.254333      6.189664  
1 1 1 21 1  15 o 25.97513 1.998064  6.890546       1.037524  6.961216       1.450275  6.816460       1.484899  0.2915001      3.996128  
1 1 1 21 1  16 o 105.9303 2.202111  113.9344       4.665407  113.9344       4.665407  ?              ?         ?              ?         
1 1 1 21 1  17 o 33.29752 1.879996  11.41694       1.247423  10.25758       1.754447  12.60224       1.773960  -3.510410      3.759992  
1 1 1 21 1  18 o 19.14626 3.093286  4.185843       1.156101  4.165604       1.565358  4.210131       1.714789  0.6624413E-01  6.186571  
1 1 1 21 1  19 o 23.02853 2.906587  6.161493       1.303335  6.941568       1.862401  5.412788       1.824569  3.626272       5.813175  
1 1 1 21 1  20 o 13.70144 5.812947  0.000000       0.000000  ?              ?         2.172581       2.770862  ?              ?         
1 1 1 21 1  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 2  0  o 85.15705 1.205003  72.17185       2.043190  67.33121       2.751608  78.12107       3.050460  0.000000       0.000000  
1 1 1 21 2  1  o 148.1287 1.597499  219.5688       4.453465  219.9013       7.745198  219.4046       5.443299  0.1146393      3.194998  
1 1 1 21 2  2  o 216.8353 2.012494  471.6328       8.657894  465.7137       13.05406  476.2812       11.56835  -2.481476      4.024988  
1 1 1 21 2  3  o 221.4673 1.902642  490.9903       8.423593  482.3560       11.70111  500.2789       12.13632  -4.033249      3.805283  
1 1 1 21 2  4  o 284.4468 2.630302  813.1465       14.84308  821.9789       19.83454  801.9044       22.37731  3.647217       5.260604  
1 1 1 21 2  5  o 53.64504 0.8393436 29.17247       0.8853791 26.30751       1.341693  31.38240       1.178375  -4.732727      1.678687  
1 1 1 21 2  6  o 15.09742 1.684991  1.885698       0.4438516 3.377583       0.9329575 1.449248       0.5046164 6.521197       3.369982  
1 1 1 21 2  7  o 29.75428 1.493450  8.960230       0.8198218 9.113541       0.9892475 8.624044       1.464897  0.8399677      2.986901  
1 1 1 21 2  8  o 105.5055 2.017841  111.1116       4.243958  118.3449       6.321358  105.1759       5.726381  6.208206       4.035682  
1 1 1 21 2  9  o 30.75699 1.782990  9.462100       1.095317  8.956411       1.503769  10.03358       1.598602  -1.745642      3.565980  
1 1 1 21 2  10 f 19.01765 2.794091  3.679107       1.049152  2.598471       1.420860  4.974658       1.555747  -6.434397      5.588182  
1 1 1 21 2  11 o 36.92043 1.583924  13.65408       1.166490  13.31621       1.584831  14.05351       1.723169  -0.9869194     3.167849  
1 1 1 21 2  12 o 17.90121 2.928039  3.375685       1.026639  3.195162       1.402250  3.584240       1.507197  -1.026407      5.856077  
1 1 1 21 2  13 o 12.15143 3.362330  0.7740231      1.240873  1.710344       1.743233  -0.1877006     1.766722  3.340836       6.724661  
1 1 1 21 2  14 o 20.56521 2.570641  4.462064       1.011050  4.736454       1.327176  4.082605       1.560731  2.023584       5.141282  
1 1 1 21 2  15 o 67.17098 1.305286  45.56840       1.750655  46.35508       2.420126  44.70493       2.535502  1.256500       2.610572  
1 1 1 21 2  16 o 38.91290 2.435814  0.000000       0.000000  ?              ?         15.42778       1.895692  ?              ?         
1 1 1 21 2  17 o 27.74037 2.037657  7.928499       1.128758  7.538879       1.544881  8.374687       1.653232  -1.443951      4.075315  
1 1 1 21 2  18 o 23.14491 2.404137  5.624672       1.099816  5.211486       1.430822  6.221322       1.719382  -1.906467      4.808275  
1 1 1 21 2  19 f 16.89884 3.415050  3.637569       1.258455  4.517249       1.714524  2.610080       1.852977  4.716908       6.830100  
1 1 1 21 2  20 o 10.27887 4.939839  0.000000       0.000000  ?              ?         -1.940358      2.956591  ?              ?         
1 1 1 21 2  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 3  0  o 8.924995 3.308265  1.085302       0.7892681 1.604686       1.188548  0.6755953      1.055625  0.000000       0.000000  
1 1 1 21 3  1  o 151.1529 1.435118  228.4496       4.286407  230.0756       6.603466  227.2657       5.634889  0.9090424      2.870237  
1 1 1 21 3  2  o 157.2423 1.709652  242.2327       4.922006  260.7503       9.161756  234.7197       5.835679  8.192276       3.419305  
1 1 1 21 3  3  o 169.6235 1.475796  287.9439       5.005662  291.1569       7.162323  284.8760       6.998663  1.847519       2.951591  
1 1 1 21 3  4  o 135.2227 1.464868  185.9320       3.840443  196.0865       4.942668  170.4617       6.100750  9.505173       2.929737  
1 1 1 21 3  5  o 185.6493 2.031345  0.000000       0.000000  ?              ?         345.0568       7.542357  ?              ?         
1 1 1 21 3  6  o 156.5107 1.482818  245.8605       4.609643  240.5753       6.896640  250.1283       6.197329  -3.077179      2.965636  
1 1 1 21 3  7  o 44.52179 0.9434686 19.57096       0.8223506 21.08483       1.324959  18.62237       1.048811  2.758923       1.886937  
1 1 1 21 3  8  o 62.89449 1.620305  39.53310       2.031913  38.38152       2.751361  40.91469       3.013633  -2.002148      3.240610  
1 1 1 21 3  9  o 95.42175 1.365254  91.18552       2.602489  90.73216       3.590952  91.68707       3.777045  -0.4921188     2.730507  
1 1 1 21 3  10 o 34.35970 1.548407  11.78247       1.055359  11.44421       1.396808  12.23244       1.611012  -1.134979      3.096814  
1 1 1 21 3  11 o 39.87514 1.524711  15.95570       1.210907  15.94191       1.639213  15.97227       1.796543  -0.2503586E-01 3.049422  
1 1 1 21 3  12 o 36.10320 1.745407  13.58433       1.213731  15.66095       1.602680  10.79171       1.858551  6.774940       3.490815  
1 1 1 21 3  13 o 11.86137 3.422382  0.6078982      1.285036  0.5843073      1.817892  0.6314592      1.816738  -0.7394218E-01 6.844764  
1 1 1 21 3  14 o 15.07808 3.041771  2.341690       0.9531780 1.969784       1.236683  2.885948       1.496043  -2.669445      6.083542  
1 1 1 21 3  15 o 18.48061 2.873077  3.713655       1.018828  3.822605       1.318070  3.551932       1.605864  0.9133396      5.746154  
1 1 1 21 3  16 o 93.50872 3.084507  90.10446       5.768566  90.10446       5.768566  ?              ?         ?              ?         
1 1 1 21 3  17 o 17.98347 2.993017  3.540675       1.068344  2.680163       1.447279  4.570987       1.583646  -4.897491      5.986034  
1 1 1 21 3  18 o 25.85836 2.320945  7.271978       1.162009  8.821221       1.596695  5.527530       1.694304  6.456636       4.641891  
1 1 1 21 3  19 o 7.556260 2.556285  -1.739418      1.112703  -1.081903      1.518814  -2.501168      1.634776  0.8722224      5.112569  
1 1 1 21 3  20 o 11.94655 5.450413  0.000000       0.000000  ?              ?         0.4096417      2.914699  ?              ?         
1 1 1 21 3  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 4  0  o 73.53599 1.135009  54.18412       1.666038  53.74134       2.401695  54.59484       2.313070  0.000000       0.000000  
1 1 1 21 4  1  o 84.07201 0.9231557 71.04092       1.541534  67.43290       2.284432  74.05744       2.088797  -3.942490      1.846311  
1 1 1 21 4  2  f 95.09965 0.9937595 89.89613       1.852669  93.35390       2.951508  87.64790       2.379935  2.991287       1.987519  
1 1 1 21 4  3  o 62.46362 0.7632048 39.03415       0.9532443 38.13497       1.349072  39.93072       1.347112  -1.437462      1.526410  
1 1 1 21 4  4  o 199.9206 1.781479  400.8589       6.905834  398.2140       11.22022  402.4717       8.762064  -1.144562      3.562957  
1 1 1 21 4  5  o 19.95419 1.516657  3.875623       0.4984275 4.184657       1.091457  3.794196       0.5602575 0.9625797      3.033314  
1 1 1 21 4  6  o 37.64674 1.034950  15.41307       0.6426417 12.00077       1.286656  16.54727       0.7417951 -6.051292      2.069899  
1 1 1 21 4  7  o 100.7876 1.283564  100.1618       2.452696  97.03279       2.999191  106.4796       4.261687  -4.646019      2.567127  
1 1 1 21 4  8  o 12.26310 3.058148  0.7864903      0.6669273 0.5551395      0.7104728 2.502123       1.934747  -7.548995      6.116297  
1 1 1 21 4  9  o 45.54482 1.344573  20.79797       1.209740  20.90724       1.593320  20.64925       1.858876  0.2948875      2.689146  
1 1 1 21 4  10 o 10.81594 2.934858  0.4885943      1.020237  1.617314       1.268277  -1.581133      1.717424  4.229172       5.869717  
1 1 1 21 4  11 o 115.0291 1.584318  132.9065       3.642686  134.9457       5.089170  130.7643       5.216252  1.828903       3.168636  
1 1 1 21 4  12 o 10.39635 3.055882  0.2969969      1.042218  0.6928834      1.303294  -0.4052414     1.735798  0.5387144      6.111763  
1 1 1 21 4  13 o 54.56915 1.707745  29.98628       1.851417  29.61928       2.472800  30.45445       2.792927  -0.7080383     3.415491  
1 1 1 21 4  14 o 28.62652 1.800280  8.004421       1.012617  6.596068       1.299195  10.18418       1.616301  -6.192394      3.600560  
1 1 1 21 4  15 o 26.22312 2.037105  7.144374       1.045473  7.713536       1.381417  6.381340       1.599482  2.625406       4.074209  
1 1 1 21 4  16 o 18.59601 4.160830  3.714302       1.646830  3.363059       1.996883  4.461140       2.911805  -2.390335      8.321661  
1 1 1 21 4  17 o 19.71588 3.099110  4.516166       1.140439  4.967891       1.374375  3.517507       2.043508  4.286129       6.198219  
1 1 1 21 4  18 o 20.92761 2.924164  4.924377       1.165640  4.884472       1.519716  4.981401       1.816677  0.1892300      5.848327  
1 1 1 21 4  19 o 11.61280 3.234963  1.144908       1.114989  0.4787948      1.463188  2.067373       1.721872  -3.397131      6.469925  
1 1 1 21 4  20 o 17.87213 4.145015  4.689523       1.938810  7.389538       2.739017  1.978143       2.744775  9.058899       8.290030  
1 1 1 21 4  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 5  0  o 206.7875 3.106216  424.2252       11.93146  416.1684       14.36312  442.1633       21.43175  0.000000       0.000000  
1 1 1 21 5  1  o 110.9424 1.190643  119.0384       2.578728  105.5504       3.245818  142.1226       4.246261  -16.46438      2.381286  
1 1 1 21 5  2  o 141.8658 1.529013  199.9699       4.075295  197.1647       4.956787  205.8217       7.159062  -2.998657      3.058027  
1 1 1 21 5  3  o 43.41278 0.7778719 17.58927       0.6427870 23.07782       1.143478  15.05369       0.7772076 9.236778       1.555744  
1 1 1 21 5  4  o 91.89514 0.9194760 84.46205       1.632432  84.57356       2.681921  84.39642       2.057475  0.8573151E-01  1.838952  
1 1 1 21 5  5  o 116.0460 1.296667  135.1275       2.852791  133.7742       4.873979  135.8327       3.518448  -0.9234390     2.593334  
1 1 1 21 5  6  o 142.8958 1.371309  201.5835       3.811626  216.5604       6.251558  192.7216       4.808859  8.291595       2.742619  
1 1 1 21 5  7  o 43.00690 0.9160835 18.50948       0.7860959 18.54266       1.075876  18.47148       1.151376  0.8451080E-01  1.832167  
1 1 1 21 5  8  o 52.40555 0.9027086 27.48702       0.9326056 27.51473       1.220430  27.44813       1.445844  0.6931686E-01  1.805417  
1 1 1 21 5  9  o 55.02527 1.280092  30.19661       1.397115  29.37777       1.849116  31.28592       2.132737  -1.721878      2.560185  
1 1 1 21 5  10 o 38.89963 1.504652  15.10009       1.160802  14.66570       1.535267  15.67984       1.773663  -1.289967      3.009304  
1 1 1 21 5  11 o 42.77679 1.519937  17.39897       1.261809  14.49542       1.569666  22.70239       2.121390  -9.543095      3.039874  
1 1 1 21 5  12 o 9.992517 2.981053  0.1253363      0.9987193 0.4645407E-01  1.279188  0.2484893      1.598334  -1.389247      5.962106  
1 1 1 21 5  13 o 62.65674 1.235626  39.43053       1.541084  39.37035       2.080122  39.50375       2.294450  -0.7862854E-01 2.471252  
1 1 1 21 5  14 o 31.04895 1.694136  9.612689       1.032760  9.095729       1.324108  10.41567       1.650246  -2.052443      3.388272  
1 1 1 21 5  15 o 30.57373 1.784284  9.171693       1.060451  8.151869       1.324667  10.99155       1.769550  -4.483723      3.568568  
1 1 1 21 5  16 o 32.23114 3.808861  12.32945       2.075903  13.45062       2.471567  9.644189       3.825001  7.504051       7.617721  
1 1 1 21 5  17 o 23.02628 3.173687  5.897235       1.422283  7.289558       2.007877  4.495063       2.014966  6.404936       6.347373  
1 1 1 21 5  18 o 10.26129 3.005317  0.4845286      1.033640  0.9918234      1.350271  -0.2335216     1.606453  1.460867       6.010635  
1 1 1 21 5  19 o 11.61951 3.175851  1.186797       1.130276  2.241245       1.560002  0.2158284E-01  1.639893  3.993091       6.351703  
1 1 1 21 5  20 o 14.54722 4.170941  2.807078       1.918909  4.273310       2.871887  1.624527       2.579148  3.633285       8.341882  
1 1 1 21 5  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 6  0  o 78.14291 1.395350  61.57058       2.118658  62.84606       2.715904  59.58778       3.386259  0.000000       0.000000  
1 1 1 21 6  1  o 254.6993 2.185350  648.9128       11.11685  671.5710       16.24454  628.9544       15.24611  8.331970       4.370701  
1 1 1 21 6  2  o 194.2171 1.811312  377.7411       6.959206  378.0061       10.65802  377.5442       9.188324  0.7551575E-01  3.622623  
1 1 1 21 6  3  o 146.7593 1.333455  216.7187       3.820219  210.1847       6.058182  221.0321       4.922218  -3.722244      2.666910  
1 1 1 21 6  4  o 178.7901 1.598905  322.3608       5.603737  308.1724       8.742892  332.2538       7.300483  -6.778351      3.197809  
1 1 1 21 6  5  o 117.5378 1.316991  138.1030       2.922997  138.9030       5.055085  137.7012       3.582655  0.4688797      2.633983  
1 1 1 21 6  6  o 66.75076 0.8454770 44.07920       1.104976  46.96189       1.776184  42.25917       1.411331  3.514801       1.690954  
1 1 1 21 6  7  o 105.0656 1.298388  110.4389       2.683369  110.9841       4.197538  110.0620       3.489513  0.4154053      2.596775  
1 1 1 21 6  8  o 86.60141 1.024515  75.08118       1.773692  77.79353       2.511254  72.38123       2.505513  3.124657       2.049030  
1 1 1 21 6  9  o 57.79474 1.217313  33.42052       1.387348  33.27864       1.814462  33.62020       2.152602  -0.2817612     2.434627  
1 1 1 21 6  10 o 74.41444 1.259850  55.57697       1.867150  56.71757       2.542066  54.24074       2.751443  1.674515       2.519701  
1 1 1 21 6  11 o 92.19623 1.393788  85.39402       2.566735  88.16204       3.580095  82.46639       3.681866  3.097641       2.787575  
1 1 1 21 6  12 o 90.75530 1.409395  82.68659       2.542745  82.13534       3.408389  83.37846       3.818409  -0.6361847     2.818789  
1 1 1 21 6  13 o 52.38111 1.356036  27.52732       1.394426  27.27303       1.803191  27.90560       2.199313  -0.5473938     2.712071  
1 1 1 21 6  14 o 31.38705 1.706912  9.613923       1.042809  8.555720       1.305669  11.47801       1.732933  -4.555513      3.413823  
1 1 1 21 6  15 f 26.30599 2.080653  7.039966       1.046126  6.904109       1.295835  7.294203       1.772666  -0.5356655     4.161306  
1 1 1 21 6  16 f 24.44514 3.952571  6.165952       1.742412  5.233099       2.043914  8.646837       3.333182  -5.564674      7.905141  
1 1 1 21 6  17 o 15.57149 3.480136  2.689548       1.203392  2.735831       1.565315  2.622660       1.881750  0.1731071      6.960272  
1 1 1 21 6  18 o 18.36599 3.067895  3.927846       1.077293  4.157292       1.335261  3.499983       1.823387  2.201860       6.135789  
1 1 1 21 6  19 o 12.78644 3.394148  1.855926       1.171984  1.849377       1.569292  1.864186       1.762321  -0.1597519     6.788295  
1 1 1 21 6  20 o 11.30759 3.690987  -0.6053182     2.025025  -3.015319      2.790465  2.075864       2.943278  -4.151090      7.381975  
1 1 1 21 6  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 7  0  o 75.66788 1.195319  57.41805       1.805085  55.12555       2.572952  59.64002       2.533068  0.000000       0.000000  
1 1 1 21 7  1  o 71.94826 1.015161  52.21858       1.435275  49.32316       2.214154  54.31697       1.884932  -3.475815      2.030323  
1 1 1 21 7  2  o 101.1790 1.201766  102.8620       2.416996  89.77885       3.418349  115.9422       3.417948  -12.92923      2.403532  
1 1 1 21 7  3  o 126.7691 1.182318  159.3932       2.870103  165.7139       4.856854  156.0016       3.557758  3.802727       2.364636  
1 1 1 21 7  4  o 46.33115 0.8296466 21.48146       0.7595778 21.42552       1.167225  21.52254       1.000382  -0.1074295     1.659293  
1 1 1 21 7  5  o 31.55080 1.438239  0.000000       0.000000  ?              ?         9.961358       0.9075519 ?              ?         
1 1 1 21 7  6  o 192.0299 3.343451  370.2234       12.84085  370.2234       12.84085  ?              ?         ?              ?         
1 1 1 21 7  7  o 94.48395 1.215512  90.33321       2.258713  95.52795       2.988693  83.41444       3.449172  6.424789       2.431023  
1 1 1 21 7  8  o 13.77595 2.720531  1.869076       0.7935273 2.682314       1.212687  1.260121       1.049379  4.464174       5.441062  
1 1 1 21 7  9  o 37.45290 1.222141  14.06719       0.9091355 13.87269       1.363401  14.22292       1.219949  -0.4734840     2.444282  
1 1 1 21 7  10 o 36.97128 1.483133  13.48077       0.8421706 13.35806       0.9279352 14.05405       2.005690  -0.8793297     2.966265  
1 1 1 21 7  11 o 82.69530 1.354657  68.84444       2.225380  70.82222       3.003927  66.43866       3.313058  2.677277       2.709313  
1 1 1 21 7  12 o 14.66583 3.143321  1.844757       0.9811077 1.110261       1.184738  3.447824       1.750265  -6.649483      6.286641  
1 1 1 21 7  13 o 70.11344 1.700584  49.37201       2.384676  49.37201       2.384676  ?              ?         ?              ?         
1 1 1 21 7  14 o 19.08121 2.662586  4.379777       0.9597506 5.908288       1.226516  1.965696       1.541399  10.13270       5.325173  
1 1 1 21 7  15 o 10.82634 3.060083  0.7162331      0.9327586 0.6992174      1.107213  0.7578319      1.731201  -1.727012      6.120165  
1 1 1 21 7  16 o 20.69787 4.482013  4.494359       1.861553  3.748673       2.180940  6.495789       3.573024  -4.962242      8.964025  
1 1 1 21 7  17 o 32.90392 2.239226  11.10474       1.442080  10.35485       1.834159  12.31876       2.333736  -2.630322      4.478452  
1 1 1 21 7  18 o 30.39153 1.952873  9.763091       1.144431  10.24987       1.462811  8.995045       1.837445  2.339037       3.905745  
1 1 1 21 7  19 o 18.71224 3.129737  4.234426       1.160613  3.346826       1.571163  5.300484       1.721881  -4.668871      6.259474  
1 1 1 21 7  20 o 15.67312 4.293536  3.709464       1.958764  5.460866       2.952563  2.332721       2.617777  4.432027       8.587071  
1 1 1 21 7  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 8  0  o 230.8247 3.238427  536.4246       12.99792  531.3682       25.72137  538.1586       15.06266  0.000000       0.000000  
1 1 1 21 8  1  o 135.5342 1.865532  183.2811       3.786165  185.1010       9.240553  182.9140       4.150563  0.6543121      3.731065  
1 1 1 21 8  2  o 133.5092 1.367276  178.4007       3.650696  176.0100       5.137745  180.8387       5.188355  -1.807129      2.734553  
1 1 1 21 8  3  o 76.47392 1.063568  53.12350       1.492909  72.50574       2.884188  46.02985       1.744844  17.28730       2.127136  
1 1 1 21 8  4  o 121.1089 1.195044  147.1027       2.878937  143.6747       4.273151  149.9520       3.895824  -2.600914      2.390088  
1 1 1 21 8  5  o 150.2742 1.630728  226.4918       4.640464  225.4653       7.958063  227.0207       5.712116  -0.6066742     3.261456  
1 1 1 21 8  6  o 85.28166 1.113295  72.42592       1.846747  74.35465       3.000223  71.24937       2.343265  1.802345       2.226590  
1 1 1 21 8  7  o 61.44746 1.230388  37.38383       1.456885  36.29747       1.817679  39.33552       2.436328  -2.451885      2.460776  
1 1 1 21 8  8  o 16.83421 2.139491  2.724755       0.6878049 2.054654       0.8656130 3.872461       1.132841  -5.616974      4.278981  
1 1 1 21 8  9  o 36.92559 1.289167  13.80463       0.9399657 12.51269       1.405104  14.85110       1.264595  -3.172554      2.578334  
1 1 1 21 8  10 o 58.24712 1.186639  33.80668       1.207173  33.61950       1.398120  34.35498       2.392923  -0.5815048     2.373277  
1 1 1 21 8  11 o 64.13843 1.053164  41.46677       1.280632  42.00660       1.582747  40.44335       2.179265  1.258980       2.106328  
1 1 1 21 8  12 o 55.12453 1.087494  30.60553       1.179909  29.76016       1.825951  31.21159       1.546048  -1.344677      2.174989  
1 1 1 21 8  13 o 52.16965 1.336431  27.36638       1.354124  27.37009       1.721145  27.36037       2.193757  0.7705307E-01  2.672862  
1 1 1 21 8  14 o 48.33482 1.338187  23.85056       1.262530  25.09942       1.642951  22.04956       1.972991  3.224575       2.676375  
1 1 1 21 8  15 o 22.28019 2.284786  4.684558       0.9672373 3.788059       1.165993  6.662702       1.732008  -6.170568      4.569573  
1 1 1 21 8  16 o 15.63882 2.960318  2.802715       1.010617  3.817414       1.321505  1.373311       1.568475  6.337511       5.920636  
1 1 1 21 8  17 o 28.04727 2.311648  8.384426       1.276862  9.272385       1.732207  7.327833       1.889547  3.590670       4.623295  
1 1 1 21 8  18 o 25.99365 2.406574  7.020719       1.153762  6.767757       1.378202  7.613276       2.109360  -0.9596329     4.813148  
1 1 1 21 8  19 o 15.61433 3.198585  3.114222       1.109076  3.870814       1.444896  2.029143       1.730360  4.808816       6.397170  
1 1 1 21 8  20 o 14.55672 4.212108  3.078109       1.932530  4.040259       2.963049  2.365855       2.549382  2.220541       8.424216  
1 1 1 21 8  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 9  0  o 137.2933 2.438641  187.0852       6.630221  204.4409       10.20823  174.4216       8.719800  0.000000       0.000000  
1 1 1 21 9  1  o 100.7048 1.017470  101.5963       2.035442  100.3383       3.051616  102.6045       2.731941  -1.131042      2.034939  
1 1 1 21 9  2  o 59.69993 0.7350927 35.66693       0.8771563 35.11800       1.256961  36.18799       1.224643  -0.8965797     1.470185  
1 1 1 21 9  3  o 165.3450 1.501375  273.0975       4.790979  276.1462       7.909722  271.3309       6.021183  1.400742       3.002750  
1 1 1 21 9  4  o 38.17670 0.8586022 14.27634       0.6238690 15.55915       1.080888  13.63550       0.7639692 2.513348       1.717204  
1 1 1 21 9  5  o 87.31011 0.9561790 76.37027       1.661284  75.35367       2.467912  77.21263       2.246489  -1.069916      1.912358  
1 1 1 21 9  6  o 82.80066 1.036769  68.53848       1.598376  68.81368       2.839468  68.41083       1.933873  0.2199860      2.073538  
1 1 1 21 9  7  o 95.27467 1.097794  91.32014       1.920859  89.68602       3.478857  92.03683       2.303897  -1.268433      2.195588  
1 1 1 21 9  8  o 26.10129 1.867861  6.373314       0.8497605 5.942921       0.9703445 7.789344       1.760068  -3.490192      3.735721  
1 1 1 21 9  9  o 20.37218 2.776655  5.072958       1.043820  6.832104       1.310574  2.021096       1.726207  11.45046       5.553309  
1 1 1 21 9  10 o 61.90184 1.206832  38.64701       1.330160  38.95666       1.562650  37.83241       2.534565  0.9616776      2.413665  
1 1 1 21 9  11 o 57.00245 1.519942  33.36423       1.691766  28.14220       2.553918  37.44733       2.258298  -8.190872      3.039884  
1 1 1 21 9  12 o 33.82306 1.355602  11.50744       0.9144415 11.35359       1.339443  11.64174       1.251466  -0.4374466     2.711204  
1 1 1 21 9  13 o 37.23283 1.191797  13.73186       0.8686774 14.84869       1.400588  13.03367       1.107406  2.397766       2.383593  
1 1 1 21 9  14 o 43.74492 1.063043  19.38789       0.8995690 18.65904       1.457310  19.83657       1.143409  -1.403946      2.126085  
1 1 1 21 9  15 o 18.12980 1.831965  3.135928       0.6155600 3.942153       1.152987  2.814517       0.7279922 2.944458       3.663930  
1 1 1 21 9  16 o 46.35394 1.099537  20.97614       0.9160985 23.32101       1.770316  20.11859       1.070588  3.247356       2.199075  
1 1 1 21 9  17 o 16.18810 2.493205  2.766665       0.7611070 3.398188       1.279393  2.420745       0.9468837 2.617746       4.986410  
1 1 1 21 9  18 o 20.94753 1.888902  4.436363       0.7600477 5.065994       1.298514  4.108234       0.9374028 2.001909       3.777805  
1 1 1 21 9  19 o 26.68409 1.477541  5.715003       0.6260897 10.63713       1.586165  4.806586       0.6814197 10.02120       2.955082  
1 1 1 21 9  20 o 11.47863 5.304062  0.2650996      2.866540  0.2650996      2.866540  ?              ?         ?              ?         
1 1 1 21 9  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 10 0  o 201.3509 3.496195  406.4424       14.06975  406.4424       14.06975  406.4424       14.06975  0.000000       0.000000  
1 1 1 21 10 1  o 73.01196 0.8409710 53.47821       1.224312  49.35234       1.747404  57.45667       1.715903  -5.550491      1.681942  
1 1 1 21 10 2  o 41.57047 0.8628449 17.30793       0.7155978 15.82464       1.007798  18.81627       1.016271  -3.598114      1.725690  
1 1 1 21 10 3  o 36.54180 0.8216089 13.39655       0.5986653 12.67711       0.8651757 14.05748       0.8292480 -1.889370      1.643218  
1 1 1 21 10 4  o 85.75231 0.9043433 73.49507       1.502136  73.89923       2.454592  73.25309       1.899320  0.3646698      1.808687  
1 1 1 21 10 5  o 213.2565 2.133399  454.7883       9.077131  476.5831       13.41429  436.3795       12.32835  9.367737       4.266797  
1 1 1 21 10 6  o 88.58496 1.108351  77.41275       1.854661  81.94925       3.243994  75.20988       2.260548  3.776161       2.216703  
1 1 1 21 10 7  o 58.97710 0.8249658 34.62691       0.9549358 35.69687       1.513339  33.91900       1.230948  1.500584       1.649932  
1 1 1 21 10 8  o 42.49070 1.145725  17.72513       0.9383053 16.83185       1.166036  19.36623       1.580474  -2.966690      2.291450  
1 1 1 21 10 9  o 68.77248 1.322231  47.77266       1.787391  49.71278       2.349252  45.10588       2.754296  3.368744       2.644461  
1 1 1 21 10 10 o 67.69058 1.244781  46.57869       1.518673  47.46971       1.803061  44.40329       2.817323  2.328636       2.489563  
1 1 1 21 10 11 o 26.47670 1.835362  7.100773       0.8833742 7.166454       1.052402  6.944130       1.625247  0.4886761      3.670724  
1 1 1 21 10 12 o 27.14500 1.431880  7.689091       0.7196444 8.228014       0.8846960 6.635076       1.237240  2.982723       2.863760  
1 1 1 21 10 13 o 44.58349 1.129235  19.95028       1.004961  20.18193       1.471335  19.74771       1.375917  0.4738464      2.258471  
1 1 1 21 10 14 o 36.56968 1.189713  13.48192       0.8594014 13.40489       1.321092  13.53843       1.131556  -0.2238121     2.379426  
1 1 1 21 10 15 o 38.50803 1.129825  14.90315       0.8360979 15.07999       1.393758  14.80374       1.045012  0.2764587      2.259650  
1 1 1 21 10 16 o 65.13081 1.059005  40.93192       1.282479  47.88894       2.359755  38.01564       1.527812  7.329655       2.118010  
1 1 1 21 10 17 o 42.82975 1.128587  17.84940       0.8962906 20.58227       1.652553  16.71045       1.066833  4.273140       2.257174  
1 1 1 21 10 18 o 25.02287 1.734860  5.845794       0.8062406 10.32522       1.387950  3.564554       0.9904858 13.18569       3.469719  
1 1 1 21 10 19 o 10.56662 3.255841  0.4071001      0.8693044 1.609368       2.539750  0.2475568      0.9251873 5.152784       6.511682  
1 1 1 21 10 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 10 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 11 0  o 34.38703 1.517358  12.20823       0.8777794 11.51852       1.772718  12.43226       1.010333  0.000000       0.000000  
1 1 1 21 11 1  o 22.95013 1.332165  5.213300       0.6012709 5.586283       0.9539861 4.967488       0.7744602 1.343395       2.664330  
1 1 1 21 11 2  o 162.6807 1.541611  263.8466       4.936769  271.5250       7.746487  258.5953       6.406206  3.931091       3.083223  
1 1 1 21 11 3  o 32.11662 0.9264817 10.31751       0.5941055 10.37219       0.8667872 10.26906       0.8159037 0.1594696      1.852963  
1 1 1 21 11 4  o 107.7472 1.005281  116.1687       2.166014  116.7151       3.092615  115.6427       3.034620  0.4961853      2.010563  
1 1 1 21 11 5  o 112.7743 1.260825  127.8620       2.719046  129.1897       3.391007  125.4710       4.550410  1.685005       2.521649  
1 1 1 21 11 6  o 21.86387 1.529033  5.035758       0.6350377 3.580059       0.9591911 6.171734       0.8473327 -5.931170      3.058067  
1 1 1 21 11 7  o 91.19336 0.9792686 83.26323       1.764454  83.01722       2.712513  83.44367       2.323125  -0.2452927     1.958537  
1 1 1 21 11 8  o 13.78876 2.667236  1.635662       0.7738980 0.8181841      0.9523562 3.224950       1.327892  -7.525324      5.334473  
1 1 1 21 11 9  o 16.63990 2.854689  2.872153       0.9379907 2.543326       1.257838  3.284083       1.407838  -2.110171      5.709377  
1 1 1 21 11 10 o 65.16293 1.243844  43.04412       1.456879  43.67095       1.724570  41.48193       2.722545  1.749619       2.487688  
1 1 1 21 11 11 f 23.90664 1.684947  5.768904       0.7771183 5.825638       0.9804172 5.673012       1.274613  0.3554153      3.369894  
1 1 1 21 11 12 o 58.25343 1.506867  34.64440       1.469288  35.05965       1.676300  33.26773       3.052182  1.742023       3.013734  
1 1 1 21 11 13 o 53.18701 1.294378  28.55009       1.349121  28.92179       1.748225  28.00279       2.121339  0.9255638      2.588756  
1 1 1 21 11 14 o 74.29372 1.208975  55.52615       1.793292  54.22241       2.453635  57.02118       2.627476  -1.845154      2.417949  
1 1 1 21 11 15 o 10.07980 2.853049  0.4844163      0.8627195 0.1336740      1.101770  1.040305       1.387046  -2.737192      5.706097  
1 1 1 21 11 16 o 32.51252 1.367444  10.52492       0.8412324 11.37049       1.471148  10.11411       1.025419  1.757658       2.734888  
1 1 1 21 11 17 o 13.07241 2.428344  1.451598       0.6788041 3.375870       1.194297  0.5333256      0.8250207 8.972989       4.856687  
1 1 1 21 11 18 o 11.82707 2.687768  1.447273       0.6737474 1.955739       1.234910  1.231777       0.8039407 2.425516       5.375535  
1 1 1 21 11 19 o 19.15778 1.955973  3.744929       0.7091987 4.677582       1.268731  3.321072       0.8553020 2.938257       3.911946  
1 1 1 21 11 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 12 0  o 79.74495 1.353228  63.16043       1.872405  64.90223       3.749762  62.58187       2.161117  0.000000       0.000000  
1 1 1 21 12 1  o 124.8518 1.483848  154.3973       3.580977  149.7435       4.486264  162.5689       5.944713  -5.089752      2.967696  
1 1 1 21 12 2  o 109.1226 1.113589  118.7345       2.392725  116.7390       3.109025  121.6334       3.747308  -2.226334      2.227177  
1 1 1 21 12 3  o 120.0313 1.184464  144.0622       2.812624  145.2658       4.315003  143.1730       3.708775  0.8539429      2.368927  
1 1 1 21 12 4  o 30.39508 1.008900  9.245691       0.6131441 9.228625       0.8770091 9.262009       0.8575518 -0.5541229E-01 2.017799  
1 1 1 21 12 5  o 105.4027 1.003946  111.1774       2.116360  111.3312       2.998972  111.0248       2.987035  0.1450500      2.007892  
1 1 1 21 12 6  o 123.5983 1.304920  152.6328       3.220824  147.1804       4.409516  158.8688       4.715754  -4.717339      2.609840  
1 1 1 21 12 7  o 79.92780 0.9355277 63.76206       1.474376  62.92797       1.923786  64.94932       2.295207  -1.253517      1.871055  
1 1 1 21 12 8  f 65.19191 0.8605388 42.62766       1.119423  40.35197       1.608304  44.76610       1.559051  -3.386948      1.721078  
1 1 1 21 12 9  o 101.0005 1.181348  102.3022       2.383212  105.4382       3.320722  98.97131       3.422316  3.206436       2.362697  
1 1 1 21 12 10 o 59.13674 1.277691  35.00758       1.325689  34.93525       1.540561  35.21396       2.602395  -0.1518669     2.555382  
1 1 1 21 12 11 o 64.32620 1.030404  41.17302       1.287464  40.22041       1.627523  42.76592       2.104585  -1.937462      2.060807  
1 1 1 21 12 12 o 24.30315 1.573911  5.523831       0.6910431 5.021416       0.8028782 6.959878       1.357382  -3.896410      3.147822  
1 1 1 21 12 13 o 59.95301 0.9348091 36.26110       1.104005  37.30809       1.453247  34.83227       1.697696  2.094540       1.869618  
1 1 1 21 12 14 f 29.53696 1.530151  8.784414       0.9005415 8.294530       1.211404  9.389547       1.346378  -1.814629      3.060301  
1 1 1 21 12 15 o 20.01030 1.727697  3.846429       0.6713991 3.009912       0.8415774 5.310966       1.113542  -5.645130      3.455395  
1 1 1 21 12 16 o 23.33053 1.461877  5.575029       0.6761212 5.904618       0.9158903 5.180316       1.002302  1.588112       2.923754  
1 1 1 21 12 17 o 17.54948 1.919277  3.282384       0.6461770 3.617634       0.8734953 2.877167       0.9603287 2.417727       3.838555  
1 1 1 21 12 18 o 32.55313 1.217336  10.76103       0.7816631 13.48937       1.162343  8.508451       1.056149  7.574623       2.434672  
1 1 1 21 12 19 o 12.31048 2.832664  1.586287       0.7963898 2.724234       1.342328  0.9681619      0.9893178 4.952153       5.665329  
1 1 1 21 12 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 13 0  o 158.4283 2.266644  255.4251       6.374940  243.6425       12.09835  259.9540       7.500715  0.000000       0.000000  
1 1 1 21 13 1  o 57.47165 1.038120  33.35006       1.177062  35.15348       1.567611  31.01911       1.782191  3.602203       2.076240  
1 1 1 21 13 2  o 162.9713 1.555840  265.6079       5.007473  263.2921       6.567363  268.8242       7.739366  -1.651810      3.111680  
1 1 1 21 13 3  o 70.65390 0.8819879 49.75935       1.229244  48.84311       1.603741  51.06429       1.913929  -1.564980      1.763976  
1 1 1 21 13 4  o 76.52405 1.056137  58.81554       1.595030  59.96115       2.103481  57.26566       2.446635  1.770271       2.112274  
1 1 1 21 13 5  o 188.0175 1.896180  354.4501       7.130290  353.9550       10.07289  354.9474       10.09465  -0.2628021     3.792360  
1 1 1 21 13 6  o 92.89631 1.207733  86.48074       2.194507  86.78479       2.825629  86.01856       3.483676  0.4355011      2.415467  
1 1 1 21 13 7  o 135.3199 1.229414  183.1363       3.323912  178.4467       4.578200  188.3638       4.833637  -3.653992      2.458829  
1 1 1 21 13 8  o 15.27408 2.476131  2.340630       0.7468492 3.399177       1.155311  1.580693       0.9788871 5.659389       4.952261  
1 1 1 21 13 9  o 39.31855 0.9781858 15.42035       0.7660213 16.09405       1.145885  14.87604       1.029994  1.543606       1.956372  
1 1 1 21 13 10 o 38.92167 1.738160  17.24562       0.9377192 18.18881       1.027204  12.52872       2.297114  7.396252       3.476321  
1 1 1 21 13 11 o 34.83167 1.306965  12.65679       0.7667356 13.09370       0.8823570 11.30968       1.549346  2.636875       2.613929  
1 1 1 21 13 12 o 25.11499 1.477845  6.158084       0.6194716 6.008798       0.6996638 6.699638       1.332601  -1.279276      2.955689  
1 1 1 21 13 13 o 10.70227 2.246878  1.336470       0.5341409 1.684379       0.5930441 -0.1585359     1.229350  3.997611       4.493756  
1 1 1 21 13 14 o 60.00381 1.024468  36.49075       1.201256  37.55303       1.555213  34.91962       1.891357  2.264862       2.048936  
1 1 1 21 13 15 o 22.36042 1.936293  5.107849       0.8427781 5.057936       1.073334  5.188097       1.360973  -0.1627789     3.872586  
1 1 1 21 13 16 o 20.84598 1.858313  4.464810       0.7745438 4.317951       1.086994  4.616285       1.103943  -0.7066364     3.716626  
1 1 1 21 13 17 o 25.99788 1.419323  7.007559       0.7268312 8.022502       1.001514  5.878161       1.056476  4.154510       2.838646  
1 1 1 21 13 18 o 14.26532 2.359186  2.354743       0.6675127 2.830724       0.9087608 1.797025       0.9836972 3.518963       4.718372  
1 1 1 21 13 19 o 9.834822 2.700372  0.8770163      0.7563171 1.187931       1.155840  0.6442164      1.000159  1.602389       5.400744  
1 1 1 21 13 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 14 0  o 51.47360 1.436025  25.56208       1.410544  30.31772       2.446791  23.19489       1.726268  0.000000       0.000000  
1 1 1 21 14 1  o 159.5576 1.415025  254.9368       4.515370  256.3818       6.421256  253.5233       6.350724  0.8932190      2.830050  
1 1 1 21 14 2  o 144.6985 1.409645  208.4543       4.005876  203.4578       5.166754  215.9841       6.342711  -4.286713      2.819289  
1 1 1 21 14 3  o 112.0953 1.148649  125.5141       2.541543  124.2047       3.327414  127.3478       3.937752  -1.384392      2.297298  
1 1 1 21 14 4  o 95.50708 1.019999  91.57521       1.939170  94.78335       2.645901  87.85226       2.850290  3.633919       2.039998  
1 1 1 21 14 5  o 132.4193 1.472683  177.4143       3.735313  169.3542       6.181804  182.0495       4.687892  -4.853531      2.945366  
1 1 1 21 14 6  o 93.09052 1.089303  86.68102       2.027005  84.75616       2.811486  88.76463       2.925126  -2.149139      2.178605  
1 1 1 21 14 7  o 68.91144 0.9403017 47.68736       1.270436  48.35791       1.647951  46.70502       1.994614  1.210213       1.880603  
1 1 1 21 14 8  o 11.40452 2.814980  1.164511       0.7904506 1.191584       1.153345  1.140529       1.085472  0.2872009      5.629961  
1 1 1 21 14 9  o 81.83401 1.018738  66.90272       1.663793  64.61623       2.266006  69.57724       2.450757  -3.021019      2.037475  
1 1 1 21 14 10 o 47.92765 1.128875  22.99818       1.082087  22.99818       1.082087  ?              ?         ?              ?         
1 1 1 21 14 11 o 57.94726 1.062020  31.76518       1.076675  29.90896       1.233934  37.68704       2.203972  -6.612251      2.124040  
1 1 1 21 14 12 o 13.12174 2.487097  1.352446       0.5847563 0.9433631      0.6567214 2.918119       1.284771  -6.869989      4.974195  
1 1 1 21 14 13 o 47.71635 1.032126  22.32676       0.8406919 21.83578       0.9592149 23.95336       1.745929  -2.089504      2.064253  
1 1 1 21 14 14 o 31.61523 1.343805  9.912270       0.8001000 9.550066       0.9709792 10.67842       1.412182  -1.657518      2.687610  
1 1 1 21 14 15 o 12.48403 2.941098  1.619671       0.8334158 1.796543       0.9882397 1.184078       1.550857  0.8679609      5.882196  
1 1 1 21 14 16 o 10.96699 2.978082  0.9747853      0.8925357 0.8823898      1.495492  1.025904       1.112364  0.5247841      5.956164  
1 1 1 21 14 17 o 9.677168 2.564688  0.8181811      0.6730802 1.028748       0.8461528 0.4553786      1.110680  0.8686409      5.129375  
1 1 1 21 14 18 o 8.589232 2.404594  0.3021161      0.6755064 -0.5144493     0.9390197 1.177911       0.9724792 -3.830269      4.809188  
1 1 1 21 14 19 o 11.19682 2.997340  1.107050       0.8873169 2.282492       1.571674  0.5571055      1.075032  4.421701       5.994679  
1 1 1 21 14 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 15 0  o 93.50307 1.504226  88.49260       2.517256  85.69341       4.732460  89.59706       2.972672  0.000000       0.000000  
1 1 1 21 15 1  o 36.59306 0.9947405 13.36836       0.7270180 12.80802       0.9967971 14.00521       1.062680  -1.634163      1.989481  
1 1 1 21 15 2  o 104.0002 1.087987  108.4761       2.243003  110.0120       2.991761  106.5047       3.389516  1.697037       2.175973  
1 1 1 21 15 3  o 47.64741 0.9740230 22.94421       0.9094492 23.96456       1.188940  21.50523       1.411924  2.586269       1.948046  
1 1 1 21 15 4  o 112.6649 1.070610  127.0446       2.412401  127.2579       3.412690  126.8314       3.410613  0.1892242      2.141219  
1 1 1 21 15 5  o 100.6648 1.071286  101.4972       2.141108  100.8761       3.223534  101.9875       2.864187  -0.5633621     2.142572  
1 1 1 21 15 6  o 51.56426 1.169561  26.29337       1.189583  28.54379       1.871591  24.76801       1.540873  3.648624       2.339122  
1 1 1 21 15 7  o 130.2904 1.313761  169.2289       3.355689  166.0399       4.316959  174.0978       5.334139  -3.045914      2.627522  
1 1 1 21 15 8  o 26.55436 1.487341  7.068701       0.7896760 7.310682       1.124187  6.833002       1.109498  0.8985233      2.974682  
1 1 1 21 15 9  o 50.40776 1.071066  25.80962       1.064718  28.60454       1.445839  22.49826       1.573759  6.065269       2.142132  
1 1 1 21 15 10 o 53.27951 1.102232  28.23072       1.113385  27.75117       1.365871  29.18038       1.922098  -1.295231      2.204463  
1 1 1 21 15 11 o 41.79276 1.283647  17.66346       1.049886  18.13322       1.361933  16.97544       1.648222  1.422550       2.567293  
1 1 1 21 15 12 o 37.53158 1.150510  13.66969       0.7525759 13.19685       0.8649933 15.14239       1.526564  -2.499016      2.301020  
1 1 1 21 15 13 o 20.30379 1.637421  3.575768       0.5701782 3.091788       0.6399959 5.438000       1.255396  -5.591774      3.274841  
1 1 1 21 15 14 o 72.69606 1.071001  52.87319       1.392041  52.46274       1.633462  53.96207       2.660568  -0.8048935     2.142003  
1 1 1 21 15 15 o 45.19731 1.197312  20.89098       1.023267  21.41876       1.266082  19.89684       1.737629  1.833759       2.394624  
1 1 1 21 15 16 o 22.32850 1.775326  5.286352       0.7393720 5.587500       0.9127954 4.711780       1.260827  2.173836       3.550652  
1 1 1 21 15 17 o 11.21048 2.691252  1.312261       0.7197198 1.506236       0.8985902 0.9651477      1.202057  1.128905       5.382503  
1 1 1 21 15 18 o 13.66501 2.461516  2.149427       0.6706352 2.091760       0.8895768 2.225352       1.020737  -0.2867765     4.923033  
1 1 1 21 15 19 o 10.58626 2.969558  0.8792930      0.9850509 2.020549       1.485039  -0.1736853E-01 1.316317  4.151837       5.939116  
1 1 1 21 15 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 16 0  o 38.78853 1.519331  15.06336       1.062102  15.51025       1.982861  14.88356       1.257751  0.000000       0.000000  
1 1 1 21 16 1  o 60.68504 0.9462329 36.45488       1.110751  35.35237       1.392986  38.37983       1.840617  -2.483685      1.892466  
1 1 1 21 16 2  o 23.14732 1.472888  5.392787       0.6736864 4.382247       0.9421567 6.450026       0.9636810 -4.465750      2.945776  
1 1 1 21 16 3  o 103.2661 1.094997  106.6254       2.235050  106.0198       2.940217  107.4544       3.439967  -0.6800003     2.189994  
1 1 1 21 16 4  o 137.8826 1.457325  190.4332       4.018384  189.7086       5.637899  191.1814       5.728901  -0.5302429     2.914651  
1 1 1 21 16 5  o 138.1012 1.263169  190.3421       3.480980  200.3751       5.138443  181.8325       4.732299  6.697205       2.526338  
1 1 1 21 16 6  o 141.9553 1.392463  202.1478       3.916540  203.8563       5.208055  199.9240       5.941847  1.419403       2.784925  
1 1 1 21 16 7  o 58.45258 0.9229137 33.27077       1.048476  30.55998       1.313073  38.03983       1.741634  -6.383633      1.845827  
1 1 1 21 16 8  o 38.28225 1.313454  14.04588       0.9678428 12.50285       1.190468  17.05400       1.662180  -5.914207      2.626909  
1 1 1 21 16 9  o 71.43395 0.9748155 50.88465       1.387467  53.69900       2.072784  48.59998       1.867572  3.555984       1.949631  
1 1 1 21 16 10 o 69.92302 1.029338  48.51169       1.338833  47.65661       1.612557  50.40893       2.401992  -1.896904      2.058677  
1 1 1 21 16 11 o 51.71213 1.012222  27.14609       1.028007  24.88833       1.573133  28.82880       1.358099  -3.832691      2.024445  
1 1 1 21 16 12 o 92.62968 1.165182  87.30312       2.026589  89.46148       2.488769  83.05543       3.491392  3.606934       2.330364  
1 1 1 21 16 13 o 16.83548 2.214710  2.844894       0.6276584 2.737012       0.7176326 3.196022       1.294669  -0.7853756     4.429420  
1 1 1 21 16 14 o 10.06749 2.476732  0.9917002      0.5136237 1.107674       0.5514430 0.2321455      1.411238  0.3173294      4.953463  
1 1 1 21 16 15 o 40.64125 1.241791  16.92302       0.9733040 17.53216       1.236817  15.93220       1.577411  2.088238       2.483583  
1 1 1 21 16 16 o 11.53969 2.831948  1.191314       0.7575542 0.8493066      0.9126382 1.949071       1.358456  -3.654898      5.663897  
1 1 1 21 16 17 o 25.60931 1.611793  6.828699       0.8074811 7.067024       1.050830  6.485070       1.261802  1.287096       3.223586  
1 1 1 21 16 18 o 8.645106 2.651633  -0.1250659E-01 0.8719810 0.6578625      1.263645  -0.6218873     1.204793  2.272988       5.303267  
1 1 1 21 16 19 o 12.93633 4.311543  0.000000       0.000000  ?              ?         2.132837       1.307925  ?              ?         
1 1 1 21 16 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 17 0  o 137.3176 2.030810  189.3423       4.878422  188.5905       9.578542  189.6057       5.668730  0.000000       0.000000  
1 1 1 21 17 1  o 140.7988 1.398397  196.9642       3.853408  191.2183       4.929642  205.9901       6.178519  -5.199402      2.796794  
1 1 1 21 17 2  o 113.5505 1.174391  128.0390       2.617899  123.9040       3.367877  134.3515       4.161258  -4.575020      2.348782  
1 1 1 21 17 3  o 29.32063 1.347811  8.601192       0.7877545 8.508602       1.068680  8.711368       1.165744  -0.3420162     2.695622  
1 1 1 21 17 4  o 73.97159 1.067180  55.61441       1.532596  51.00059       2.426168  58.67798       1.976988  -5.204063      2.134361  
1 1 1 21 17 5  o 22.61688 1.947173  5.164984       0.8750730 5.701407       1.219132  4.594894       1.256808  2.448624       3.894346  
1 1 1 21 17 6  o 90.43102 1.202756  80.84906       1.992384  79.33848       2.369670  84.49261       3.680270  -2.795616      2.405512  
1 1 1 21 17 7  o 34.79153 1.438063  11.90369       0.8835520 11.65324       1.025760  12.62376       1.739311  -1.353851      2.876125  
1 1 1 21 17 8  o 86.39352 1.018658  74.28121       1.716477  72.64687       2.185392  76.91301       2.773220  -2.434723      2.037316  
1 1 1 21 17 9  o 80.94222 1.518738  63.53334       2.028032  61.86984       2.278813  69.86800       4.446897  -4.726639      3.037475  
1 1 1 21 17 10 o 22.74164 1.698444  5.380828       0.5486080 5.455457       0.5967454 4.973444       1.394248  1.178617       3.396887  
1 1 1 21 17 11 o 5.658527 1.898600  -0.7003316     0.3775038 -0.7992725     0.4092222 -0.1352849     0.9779428 -4.261090      3.797200  
1 1 1 21 17 12 o 20.57193 1.308860  4.177587       0.4343040 4.121211       0.4854949 4.403421       0.9717075 -0.6001701     2.617720  
1 1 1 21 17 13 o 31.11747 1.352710  9.674878       0.7103784 9.581785       0.8090299 9.988288       1.484448  -0.4763870     2.705420  
1 1 1 21 17 14 o 57.29773 1.360050  32.27829       1.241955  31.67989       1.381488  34.79978       2.835817  -2.296127      2.720100  
1 1 1 21 17 15 o 38.54400 1.278397  15.27289       0.9470872 15.91964       1.200356  14.20627       1.541517  2.345196       2.556794  
1 1 1 21 17 16 o 37.88992 1.298256  14.50478       0.9145663 14.33830       1.103541  14.86991       1.634292  -0.4578094     2.596513  
1 1 1 21 17 17 o 11.18484 2.778354  1.319742       0.7644931 1.254508       1.003087  1.410145       1.180845  -0.6330500     5.556707  
1 1 1 21 17 18 o 11.70718 3.516603  1.090348       1.113785  1.109817       1.196066  0.9632716      3.055718  -2.292422      7.033206  
1 1 1 21 17 19 o 10.48523 4.847617  0.000000       0.000000  ?              ?         -0.1200140     2.398553  ?              ?         
1 1 1 21 17 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21 18 0  o 61.72688 1.437566  38.12178       1.533732  38.52858       3.069448  37.98641       1.770620  0.000000       0.000000  
1 1 1 21 18 1  o 78.44885 0.9120166 61.56881       1.430299  61.11180       1.990084  62.05711       2.057075  -0.6007614     1.824033  
1 1 1 21 18 2  o 96.80586 1.290339  94.91184       2.468807  103.9473       3.355962  84.25460       3.644730  10.18209       2.580677  
1 1 1 21 18 3  o 148.9156 1.355429  222.1113       4.036807  224.1511       5.723592  220.0923       5.694335  1.361572       2.710858  
1 1 1 21 18 4  o 39.49511 1.074548  15.71204       0.8427774 16.67843       1.149105  14.58711       1.239788  2.650742       2.149096  
1 1 1 21 18 5  o 85.24345 1.018714  72.79060       1.728332  72.18753       2.568647  73.28948       2.336301  -0.6544495     2.037428  
1 1 1 21 18 6  o 42.82093 1.033019  18.36775       0.8696920 18.41568       1.131410  18.29854       1.359672  0.1455765      2.066039  
1 1 1 21 18 7  o 32.21225 2.303206  12.69857       0.7962907 13.22934       0.8399178 7.983929       2.503290  8.287172       4.606412  
1 1 1 21 18 8  o 16.54480 2.553263  3.296669       0.7953082 4.058729       0.9528791 1.546838       1.443914  7.099513       5.106526  
1 1 1 21 18 9  o 32.58058 1.203458  11.14034       0.7141457 11.96682       0.8679067 9.407569       1.256685  3.963425       2.406916  
1 1 1 21 18 10 o 31.74810 2.058992  11.34925       0.7078379 11.59748       0.7426164 8.883760       2.340406  4.555206       4.117984  
1 1 1 21 18 11 f 58.45393 0.8291414 33.98968       0.8971920 33.57264       1.077569  34.93211       1.619878  -1.109509      1.658283  
1 1 1 21 18 12 o 83.95072 0.9757480 70.46017       1.600128  69.22802       2.045136  72.40499       2.569380  -1.803680      1.951496  
1 1 1 21 18 13 o 11.14424 2.099969  1.279272       0.3789182 1.300684       0.4083864 1.146758       1.015941  0.4090738      4.199938  
1 1 1 21 18 14 o 18.87577 1.656202  3.813474       0.5672392 5.355167       0.8054625 2.296528       0.7989717 8.291759       3.312403  
1 1 1 21 18 15 o 12.35202 2.342654  1.977483       0.7680470 2.813236       0.8247384 -3.482350      2.107981  8.428780       4.685307  
1 1 1 21 18 16 o 25.52185 2.269641  6.398196       0.9148056 6.102500       1.010703  7.738338       2.151671  -2.217930      4.539282  
1 1 1 21 18 17 o 30.20574 1.521424  9.611583       0.8809019 9.979641       1.113119  8.994780       1.440977  1.926310       3.042849  
1 1 1 21 18 18 o 16.58458 2.745564  3.432680       0.9623059 4.698689       1.302431  1.910704       1.428038  7.969342       5.491127  
1 1 1 21 18 19 o 10.41247 4.008618  0.000000       0.000000  ?              ?         1.195520       1.181130  ?              ?         
1 1 1 21 19 0  o 53.26515 1.479144  28.88008       1.383998  27.78464       2.662359  29.28573       1.620105  0.000000       0.000000  
1 1 1 21 19 1  o 114.5092 1.190272  131.3336       2.701503  131.6401       3.590555  130.9336       4.101162  0.3273087      2.380544  
1 1 1 21 19 2  o 12.07585 2.680111  1.452095       0.7198491 1.477304       0.9971914 1.424664       1.040212  0.1035576      5.360223  
1 1 1 21 19 3  o 35.07598 1.472235  12.45748       1.021794  10.76171       1.480430  14.00024       1.412064  -4.619732      2.944471  
1 1 1 21 19 4  o 49.14933 1.029062  23.81172       0.9973978 22.12445       1.288965  26.32960       1.574590  -4.267918      2.058123  
1 1 1 21 19 5  o 53.89856 1.115600  28.97117       1.146543  28.70601       1.418084  29.47170       1.948331  -0.6891403     2.231200  
1 1 1 21 19 6  o 68.41945 0.9210971 46.15778       1.166015  45.05605       1.395992  48.70005       2.120580  -2.634972      1.842194  
1 1 1 21 19 7  o 32.06386 1.228334  10.61297       0.6820508 10.94145       0.7941198 9.689300       1.331655  1.989021       2.456668  
1 1 1 21 19 8  o 27.34615 1.270435  7.353512       0.6138270 7.192690       0.7127129 7.815445       1.207907  -1.098103      2.540871  
1 1 1 21 19 9  o 23.26724 1.490620  5.415484       0.6364756 5.370758       0.7601040 5.520425       1.164294  -0.2666950     2.981240  
1 1 1 21 19 10 o 27.71640 1.520023  7.790898       0.6412977 7.821884       0.7073303 7.647797       1.520045  0.4357624      3.040045  
1 1 1 21 19 11 f 19.78939 1.768909  4.019139       0.5301961 4.051122       0.5847633 3.871364       1.256959  0.5978851      3.537817  
1 1 1 21 19 12 o 10.87966 2.522207  1.061731       0.5064956 1.015264       0.5513372 1.313035       1.282164  -2.098815      5.044415  
1 1 1 21 19 13 o 29.10106 1.116600  7.924291       0.5341138 7.506105       0.5961115 9.626827       1.202793  -3.504173      2.233201  
1 1 1 21 19 14 o 8.148190 2.263546  0.4253016      0.5454054 0.6629856      0.6741572 -0.2497737E-01 0.9279017 0.9022999      4.527092  
1 1 1 21 19 15 o 30.99221 0.9813636 9.787883       0.5951444 10.20117       0.7756390 9.196239       0.9280371 1.670824       1.962727  
1 1 1 21 19 16 o 15.63298 2.525650  2.725014       0.7413970 2.788578       0.9102286 2.599715       1.277964  0.9360552      5.051300  
1 1 1 21 19 17 o 13.11296 2.787371  1.988622       0.7693786 1.878373       0.9658478 2.180050       1.272692  -0.7721834     5.574742  
1 1 1 21 19 18 o 11.06175 2.893696  1.024389       0.9799659 2.415973       1.360583  -0.4757297     1.412645  5.630756       5.787392  
1 1 1 21 19 19 o 8.949579 3.857396  0.000000       0.000000  ?              ?         0.3995665      1.254787  ?              ?         
1 1 1 21 20 0  o 81.02757 1.625670  65.91024       2.493809  65.83980       4.264380  65.94685       3.074307  0.000000       0.000000  
1 1 1 21 20 1  o 79.43549 0.9312045 63.13236       1.479087  62.30890       2.065617  63.99883       2.118890  -1.062073      1.862409  
1 1 1 21 20 2  o 20.86061 1.684022  4.308249       0.6981195 3.836775       0.9277353 4.923757       1.060015  -2.597885      3.368044  
1 1 1 21 20 3  o 28.41945 1.570492  8.192287       0.8499936 8.425496       1.060226  7.772729       1.422076  1.167589       3.140983  
1 1 1 21 20 4  f 64.98656 1.046232  42.27920       1.358938  42.28684       1.957462  42.27209       1.888074  0.8735657E-02  2.092464  
1 1 1 21 20 5  o 62.67249 0.9929128 39.37847       1.225395  39.64639       1.601678  39.00028       1.902943  0.5275040      1.985826  
1 1 1 21 20 6  o 26.89632 1.459064  7.708524       0.6794605 8.239091       0.7999757 6.334702       1.287277  3.574539       2.918128  
1 1 1 21 20 7  o 34.21692 1.162939  11.31599       0.6984545 10.88713       0.8051538 12.62008       1.404006  -2.487801      2.325878  
1 1 1 21 20 8  o 40.60443 1.191597  17.07200       0.7978950 17.50765       0.9080325 15.59584       1.671472  2.421055       2.383193  
1 1 1 21 20 9  o 59.51930 0.9226426 35.58253       1.059608  35.78606       1.335441  35.23663       1.740962  0.4986801      1.845285  
1 1 1 21 20 10 o 14.57862 2.407116  2.395410       0.5212321 2.495826       0.5611147 1.763407       1.407692  2.360912       4.814232  
1 1 1 21 20 11 o 12.21987 2.251904  1.399329       0.4984983 1.198963       0.5735504 2.018163       1.007968  -3.108717      4.503808  
1 1 1 21 20 12 o 65.32056 0.8669205 42.62590       1.054342  42.24922       1.273680  43.44593       1.879278  -0.8149872     1.733841  
1 1 1 21 20 13 o 9.634804 2.194747  0.5198601      0.4775036 0.6569658E-01  0.5544875 1.823296       0.9393564 -6.791792      4.389494  
1 1 1 21 20 14 o 25.26617 1.683386  6.784028       0.6051841 6.900843       0.6596997 6.163586       1.520367  1.837435       3.366771  
1 1 1 21 20 15 o 6.842073 2.033456  0.1668368      0.4300560 0.2835545      0.4914609 -0.2146512     0.8885075 -0.5343485     4.066911  
1 1 1 21 20 16 o 28.37800 1.289228  8.154687       0.7264497 8.644934       1.107384  7.784335       0.9624955 1.439560       2.578456  
1 1 1 21 20 17 o 10.89537 2.566362  1.231987       0.6522404 1.793245       1.042335  0.8707873      0.8361799 3.026101       5.132725  
1 1 1 21 20 18 o 10.28901 3.188470  0.4531824      1.305350  -1.613366      2.442087  1.279801       1.544511  -1.698126      6.376940  
1 1 1 21 20 19 o 8.227457 3.736075  0.000000       0.000000  ?              ?         -0.1346968     1.334792  ?              ?         
1 1 1 21 21 0  o 8.814034 3.640444  0.4897709      1.022906  1.949541       1.825589  -0.1782598     1.234977  0.000000       0.000000  
1 1 1 21 21 1  o 11.14840 2.846949  1.043552       0.8139277 0.8486986      1.245897  1.188629       1.075044  -0.4676723     5.693898  
1 1 1 21 21 2  o 88.32114 1.173643  78.48727       1.982358  76.81916       3.314700  79.41611       2.473439  -1.504265      2.347286  
1 1 1 21 21 3  o 131.8297 1.332865  174.5382       3.491378  178.1468       4.705300  170.1174       5.207987  3.069763       2.665731  
1 1 1 21 21 4  o 72.77626 1.126042  52.91726       1.505965  52.72952       1.802002  53.35205       2.742314  -0.3859482     2.252084  
1 1 1 21 21 5  o 54.10529 0.9544427 28.94211       0.9542876 28.36713       1.142427  30.26946       1.735793  -1.730953      1.908885  
1 1 1 21 21 6  o 11.17469 2.790511  1.119668       0.7648646 1.262973       0.9506229 0.8565830      1.288027  0.3354664      5.581023  
1 1 1 21 21 7  o 27.56643 1.439896  7.713359       0.6783311 7.793438       0.7804964 7.466135       1.371384  0.6485958      2.879792  
1 1 1 21 21 8  o 46.76590 1.008829  22.36917       0.8872741 23.30507       1.096438  20.59343       1.510285  2.937035       2.017658  
1 1 1 21 21 9  o 66.01059 1.064074  43.57497       1.401928  45.97645       2.065065  41.52203       1.909332  3.356583       2.128148  
1 1 1 21 21 10 o 16.00056 2.298846  2.613895       0.5446369 2.594206       0.5942125 2.717343       1.362014  0.1132364      4.597691  
1 1 1 21 21 11 o 20.84714 1.513776  4.169575       0.5371668 3.978380       0.6091601 4.838064       1.139043  -1.920816      3.027553  
1 1 1 21 21 12 o 37.93604 0.9886565 14.23238       0.6551204 13.98118       0.7567797 14.98349       1.308624  -1.206310      1.977313  
1 1 1 21 21 13 o 39.27385 1.071613  15.23081       0.7449679 14.88510       0.8659443 16.21529       1.461307  -1.546925      2.143226  
1 1 1 21 21 14 o 11.49619 2.051273  1.592035       0.4885244 1.979014       0.5721631 0.5510017      0.9384448 4.909001       4.102546  
1 1 1 21 21 15 o 6.868659 2.057672  0.1409600E-02  0.4457023 -0.1471169     0.5248107 0.3857094      0.8441815 -2.777347      4.115343  
1 1 1 21 21 16 o 9.025358 2.352116  0.8017442      0.4871157 0.9477820      0.5209154 -0.2153079     1.374694  0.6383228      4.704232  
1 1 1 21 21 17 o 14.75908 2.603363  2.492837       0.5978011 2.502354       0.6442598 2.433894       1.603292  1.469922       5.206726  
1 1 1 21 21 18 o 11.59618 4.720411  0.000000       0.000000  ?              ?         1.457029       1.724465  ?              ?         
1 1 1 21 21 19 f 8.264150 3.686274  0.000000       0.000000  ?              ?         0.1663056      1.242876  ?              ?         
1 1 1 21 22 0  f 9.779523 3.697939  1.366658       1.055718  0.2077623      1.903012  1.881886       1.268877  0.000000       0.000000  
1 1 1 21 22 1  o 70.55461 1.029230  49.08534       1.425149  53.60238       2.283856  46.20481       1.823803  5.224937       2.058459  
1 1 1 21 22 2  o 81.04849 1.100254  65.57283       1.779138  68.55537       2.628873  63.05237       2.416665  3.385902       2.200508  
1 1 1 21 22 3  o 75.47621 0.9907390 57.29538       1.478280  58.90036       1.963389  55.19464       2.246252  2.466545       1.981478  
1 1 1 21 22 4  o 50.23924 0.9814219 25.60564       0.9212677 26.23677       1.125934  24.32721       1.602489  1.922695       1.962844  
1 1 1 21 22 5  o 40.60532 1.286966  15.34047       0.8257490 14.65192       0.9104149 18.53445       1.960821  -4.701351      2.573932  
1 1 1 21 22 6  o 38.10678 1.131857  13.81449       0.7461820 13.13747       0.8517914 16.04818       1.547184  -3.768559      2.263714  
1 1 1 21 22 7  o 15.14759 2.817864  2.273546       0.8031943 2.058371       0.9496022 2.814474       1.505617  -2.347038      5.635727  
1 1 1 21 22 8  o 51.04121 0.9678519 25.02051       0.8872637 23.72891       1.033820  28.63200       1.728711  -4.736023      1.935704  
1 1 1 21 22 9  o 17.81502 2.214835  3.469991       0.7363599 4.279901       0.9756629 2.398080       1.122435  5.567954       4.429670  
1 1 1 21 22 10 o 14.38702 2.433934  1.785314       0.5657101 1.529616       0.6226202 2.995323       1.354423  -4.664732      4.867868  
1 1 1 21 22 11 o 40.32128 0.9840383 16.12695       0.7044539 15.88313       0.8216134 16.80368       1.368815  -1.045158      1.968077  
1 1 1 21 22 12 o 24.85908 1.402663  6.700689       0.5973576 7.213658       0.7019306 5.353483       1.137538  3.861502       2.805325  
1 1 1 21 22 13 o 17.00727 1.910581  3.012900       0.5321922 3.008250       0.6086018 3.028009       1.097044  0.4724827      3.821162  
1 1 1 21 22 14 o 39.02062 1.008177  15.10903       0.7572101 14.47240       0.9409917 16.27860       1.275430  -2.210682      2.016354  
1 1 1 21 22 15 f 34.54119 0.9972221 12.57630       0.6243741 13.39455       0.7546179 10.80025       1.111764  3.892788       1.994444  
1 1 1 21 22 16 o 27.38071 1.108847  7.633805       0.5666754 7.594790       0.6873194 7.716615       1.001365  -0.1413345E-01 2.217693  
1 1 1 21 22 17 o 14.16340 2.704797  2.453757       0.7052470 2.530677       0.7919010 2.158861       1.550550  1.917943       5.409594  
1 1 1 21 22 18 o 12.61002 4.549179  0.000000       0.000000  ?              ?         2.064674       1.472432  ?              ?         
1 1 1 21 22 19 o 8.834458 4.037277  0.000000       0.000000  ?              ?         0.3402780E-01  1.607942  ?              ?         
1 1 1 21 23 0  o 93.07732 1.685200  86.79231       3.134782  86.79231       3.134782  86.79231       3.134782  0.000000       0.000000  
1 1 1 21 23 1  o 79.64566 1.022177  63.40518       1.613448  64.31840       2.460929  62.71670       2.136774  0.9912872      2.044354  
1 1 1 21 23 2  o 57.89876 0.9483083 33.47094       1.035314  33.29087       1.266389  33.83385       1.797787  -0.4461060     1.896617  
1 1 1 21 23 3  o 98.31418 1.093918  97.00120       2.121770  97.91752       2.788004  95.74009       3.270753  1.134560       2.187836  
1 1 1 21 23 4  o 25.81973 1.486469  6.385267       0.6831934 6.048443       0.7915301 7.369292       1.352908  -2.507410      2.972937  
1 1 1 21 23 5  o 23.57093 1.613521  5.511284       0.6815435 5.424098       0.7992350 5.743665       1.304820  -0.6258106     3.227042  
1 1 1 21 23 6  f 54.60404 1.050264  29.85160       1.146973  29.85160       1.146973  ?              ?         ?              ?         
1 1 1 21 23 7  o 39.55571 1.092912  15.69001       0.7628763 15.68176       0.8897069 15.71294       1.482543  0.2099609E-01  2.185824  
1 1 1 21 23 8  o 32.02180 1.433755  10.30688       0.9168135 10.14715       1.257924  10.48786       1.339012  -0.5197544     2.867511  
1 1 1 21 23 9  o 27.95513 1.441487  7.882837       0.8008202 7.963194       1.076831  7.783398       1.197876  0.3436413      2.882974  
1 1 1 21 23 10 o 14.19227 2.458241  2.180234       0.5908574 2.258473       0.6557966 1.842840       1.361838  1.498319       4.916482  
1 1 1 21 23 11 o 16.60984 2.081514  3.312011       0.5700956 3.804011       0.6721594 2.050827       1.076164  5.615467       4.163029  
1 1 1 21 23 12 o 11.25107 2.395309  1.306640       0.5381209 1.320467       0.6241159 1.266580       1.062334  -0.2249565     4.790618  
1 1 1 21 23 13 o 29.91071 1.188422  8.881424       0.6300858 8.691743       0.7333792 9.416123       1.231317  -1.044184      2.376844  
1 1 1 21 23 14 o 11.22325 2.362774  1.197422       0.5202621 0.9737851      0.6064296 1.820926       1.012577  -3.256221      4.725548  
1 1 1 21 23 15 o 12.29532 2.227180  1.652529       0.5129554 1.683116       0.6035539 1.572965       0.9734281 0.5370207      4.454360  
1 1 1 21 23 16 o 10.45456 2.268536  1.103469       0.4736645 0.9421194      0.5525270 1.550783       0.9199725 -2.356402      4.537071  
1 1 1 21 23 17 f 13.61138 2.584591  2.492877       0.7166297 2.839107       0.7940613 0.9728205      1.663803  5.399301       5.169182  
1 1 1 21 23 18 o 12.16182 4.600560  0.000000       0.000000  ?              ?         1.864180       1.534115  ?              ?         
1 1 1 21 24 0  o 8.197987 3.571211  0.3610921      1.233282  -1.972949      2.324261  1.275766       1.455003  0.000000       0.000000  
1 1 1 21 24 1  o 81.98489 1.122867  67.32601       1.656485  67.30090       1.954601  67.39001       3.120573  0.1497650E-01  2.245734  
1 1 1 21 24 2  o 86.70915 1.036005  75.54891       1.777765  76.99761       2.362336  73.65709       2.699553  1.946648       2.072011  
1 1 1 21 24 3  o 29.79765 1.348054  8.667176       0.7330139 8.339564       0.8657968 9.496351       1.377395  -1.897482      2.696108  
1 1 1 21 24 4  o 54.39548 0.9679657 29.38379       0.9838786 28.93307       1.190360  30.35567       1.747938  -1.272865      1.935931  
1 1 1 21 24 5  o 45.31632 1.064595  20.06981       0.9143985 19.05257       1.113445  22.17702       1.602544  -3.408844      2.129189  
1 1 1 21 24 6  o 53.46455 1.129604  27.75227       1.057327  26.81517       1.218284  30.61247       2.128406  -3.457111      2.259208  
1 1 1 21 24 7  o 25.70051 1.852767  6.873292       0.8962592 7.340323       1.117905  6.032948       1.499550  2.615011       3.705534  
1 1 1 21 24 8  o 38.44568 1.133647  15.11831       0.8095421 15.62428       0.9868839 14.07746       1.415452  2.065220       2.267295  
1 1 1 21 24 9  o 48.79108 1.015471  23.45840       0.9646916 22.09016       1.216080  25.78105       1.584430  -3.731953      2.030943  
1 1 1 21 24 10 o 10.93535 2.741035  1.130069       0.7320286 1.361516       0.8586226 0.5141544      1.400672  0.9976177      5.482069  
1 1 1 21 24 11 o 22.56714 1.525996  5.198513       0.6030877 5.237182       0.7023258 5.089945       1.176809  0.4739857      3.051993  
1 1 1 21 24 12 o 26.03896 1.510054  5.988141       0.6613358 5.332309       0.7382420 8.653025       1.488132  -6.099016      3.020108  
1 1 1 21 24 13 o 35.39768 1.060076  12.12993       0.6859417 11.43747       0.8082780 13.91232       1.296771  -3.350372      2.120152  
1 1 1 21 24 14 o 37.40974 1.150010  14.44263       0.7972541 14.91021       0.9703523 13.47129       1.398579  2.096195       2.300021  
1 1 1 21 24 15 o 19.85847 1.987112  4.586056       0.6736603 5.237126       0.8251154 3.284421       1.166663  5.505833       3.974223  
1 1 1 21 24 16 o 8.941954 2.426013  0.6779682      0.5615207 0.6303113      0.6620649 0.8001106      1.059914  -1.398124      4.852026  
1 1 1 21 24 17 o 18.31308 2.693087  4.004138       0.8851984 3.962529       1.048582  4.107332       1.651336  1.355474       5.386174  
1 1 1 21 24 18 o 11.98891 4.658502  0.000000       0.000000  ?              ?         1.868865       1.602877  ?              ?         
1 1 1 21 25 0  o 7.772759 3.521459  0.2478988      1.160221  -0.5289746     2.134910  0.5735054      1.382137  0.000000       0.000000  
1 1 1 21 25 1  o 53.64445 1.157453  28.83804       1.237350  28.96698       1.831001  28.72966       1.678661  0.2097397      2.314905  
1 1 1 21 25 2  o 67.10350 0.9297372 45.30665       1.205268  45.91463       1.524628  44.29359       1.968041  1.234489       1.859474  
1 1 1 21 25 3  o 82.28104 1.133152  67.05599       1.660400  66.10985       1.940203  69.64516       3.209569  -2.054970      2.266303  
1 1 1 21 25 4  o 85.44385 1.042697  73.41444       1.747704  74.41949       2.269480  71.94984       2.739628  1.482796       2.085395  
1 1 1 21 25 5  o 80.30956 1.117452  64.72285       1.598877  64.74130       1.875484  64.67377       3.058858  0.1613312      2.234904  
1 1 1 21 25 6  o 27.33206 1.564451  6.914791       0.7087306 6.484097       0.7921008 8.643764       1.587049  -3.825592      3.128901  
1 1 1 21 25 7  o 52.75717 0.9806790 27.59398       0.9985406 26.73773       1.248096  29.11674       1.664424  -2.211235      1.961358  
1 1 1 21 25 8  o 43.56042 1.180661  18.98167       0.8901404 18.89215       1.026589  19.25289       1.786860  -0.3016891     2.361323  
1 1 1 21 25 9  o 31.18137 1.290834  9.920414       0.7536328 10.14867       0.9228182 9.463341       1.305867  1.184301       2.581669  
1 1 1 21 25 10 o 42.63564 1.009262  18.32066       0.8247725 18.40630       1.030270  18.16784       1.376275  0.3515320      2.018525  
1 1 1 21 25 11 o 36.74165 1.328300  13.71545       0.9709678 14.68390       1.340513  12.64658       1.408306  2.792118       2.656599  
1 1 1 21 25 12 o 16.69790 2.151862  2.739859       0.6801685 2.247015       0.8348391 3.712876       1.173027  -4.421004      4.303724  
1 1 1 21 25 13 o 19.20696 1.976794  3.948584       0.6843938 4.095202       0.8372741 3.653374       1.188059  1.648800       3.953588  
1 1 1 21 25 14 o 6.952415 2.231192  -0.4850360     0.5697865 -0.6717743     0.6528098 0.1122388      1.167501  -3.556789      4.462384  
1 1 1 21 25 15 f 20.91373 1.651129  4.788247       0.5908813 5.025857       0.6900158 4.134926       1.144169  2.554457       3.302258  
1 1 1 21 25 16 o 12.40590 2.529156  1.696466       0.6027010 1.569825       0.6994372 2.061666       1.187757  -1.284434      5.058313  
1 1 1 21 25 17 o 12.79006 4.370435  2.090888       1.343896  2.090888       1.343896  ?              ?         ?              ?         
1 1 1 21 25 18 o 12.78938 4.685590  0.000000       0.000000  ?              ?         2.429324       1.567313  ?              ?         
1 1 1 21 26 0  o 59.78555 1.232663  36.06426       1.461717  37.83722       1.990147  33.98752       2.153911  0.000000       0.000000  
1 1 1 21 26 1  o 32.22001 1.223683  9.994081       0.7393309 9.284366       0.8873770 11.60493       1.336884  -3.563013      2.447366  
1 1 1 21 26 2  o 40.03839 1.074500  15.80274       0.8206238 15.21687       1.009129  16.94661       1.410046  -2.128120      2.148999  
1 1 1 21 26 3  o 52.32938 0.9936936 27.46490       0.9790925 27.49673       1.197929  27.40087       1.699275  0.1334000      1.987387  
1 1 1 21 26 4  o 50.83894 1.458009  25.16850       1.114186  24.75724       1.218681  27.26278       2.750133  -2.264389      2.916018  
1 1 1 21 26 5  o 65.29734 1.115907  42.71415       1.457315  42.71415       1.457315  ?              ?         ?              ?         
1 1 1 21 26 6  o 38.17959 1.123159  14.00865       0.8175091 12.72165       0.9952955 16.67745       1.433243  -5.128376      2.246319  
1 1 1 21 26 7  o 73.69727 1.003958  54.08606       1.439864  52.74015       1.825143  56.30424       2.343087  -2.353142      2.007916  
1 1 1 21 26 8  o 52.10581 0.9654777 26.84799       0.9284921 26.22004       1.109697  28.31376       1.695411  -1.926579      1.930955  
1 1 1 21 26 9  o 21.65837 1.642381  4.142534       0.6540249 3.298533       0.7627838 6.485441       1.270889  -7.202026      3.284761  
1 1 1 21 26 10 o 38.16298 1.223292  14.35431       0.7864189 14.07185       0.8927122 15.33307       1.661767  -1.460011      2.446583  
1 1 1 21 26 11 o 19.53547 1.979344  3.313498       0.6404886 2.909153       0.7096858 5.088897       1.487094  -5.209187      3.958688  
1 1 1 21 26 12 o 26.89602 1.313455  6.865605       0.6355527 6.321684       0.7379329 8.428031       1.250686  -3.724768      2.626910  
1 1 1 21 26 13 o 13.08085 2.332886  2.075546       0.6024460 2.428035       0.6949207 1.009204       1.208678  4.595278       4.665771  
1 1 1 21 26 14 o 24.68592 1.710600  6.195269       0.7531433 6.078022       0.8813528 6.512627       1.450025  -0.5058441     3.421199  
1 1 1 21 26 15 o 8.636324 2.460632  0.3947201      0.7266552 1.036053       0.8700067 -1.084815      1.321428  2.594518       4.921264  
1 1 1 21 26 16 o 13.36646 2.533375  1.923262       0.6200020 1.711891       0.7136237 2.574023       1.252152  -2.166409      5.066751  
1 1 1 21 26 17 o 10.63375 3.115185  0.9993108      1.074299  0.5141546      1.399104  1.696280       1.676934  -2.426635      6.230369  
1 1 1 21 27 0  o 44.34703 1.662122  19.88613       1.263930  19.87325       1.458349  19.92501       2.533664  0.000000       0.000000  
1 1 1 21 27 1  o 9.442684 2.282379  0.6677486      0.5836595 1.419978       0.8142693 -0.1271412     0.8370401 4.483876       4.564758  
1 1 1 21 27 2  o 41.47242 1.159386  17.26648       0.9530660 17.30272       1.266885  17.21923       1.446601  0.1201591      2.318772  
1 1 1 21 27 3  o 29.66475 1.322704  8.700959       0.7339610 8.453258       0.8863156 9.241502       1.309300  -1.274302      2.645407  
1 1 1 21 27 4  o 58.18285 0.9900994 34.01147       1.124964  34.23947       1.445449  33.66120       1.791581  0.5322647      1.980199  
1 1 1 21 27 5  o 62.15355 0.9592157 38.33149       1.152256  37.21505       1.443694  40.29074       1.912505  -2.426861      1.918431  
1 1 1 21 27 6  o 31.91882 1.248302  10.26537       0.7239449 10.29709       0.8607380 10.18868       1.338361  0.2408180      2.496604  
1 1 1 21 27 7  o 9.820450 2.474352  0.6900014      0.5708592 0.4304593      0.6730926 1.355074       1.077471  -3.856678      4.948705  
1 1 1 21 27 8  f 37.70473 1.313726  14.91875       0.8092629 15.37809       0.9194777 13.33987       1.704692  2.880257       2.627452  
1 1 1 21 27 9  o 38.49794 1.381915  15.29108       0.8419645 15.48997       0.9418350 14.49965       1.878785  1.547161       2.763829  
1 1 1 21 27 10 o 34.49692 1.488594  12.01823       0.8023080 11.99020       0.8904701 12.13912       1.849352  0.8108139E-01  2.977189  
1 1 1 21 27 11 o 36.68832 1.346559  12.54391       0.8131908 11.77894       0.9069317 15.68111       1.836635  -4.973576      2.693118  
1 1 1 21 27 12 o 16.25653 2.709233  2.666851       0.7453875 2.477145       0.8396934 3.371958       1.618854  -2.024228      5.418466  
1 1 1 21 27 13 o 16.24441 2.565553  3.101573       0.6677948 3.254800       0.7395873 2.425289       1.553771  3.175154       5.131107  
1 1 1 21 27 14 o 13.51698 2.295389  2.345040       0.6385864 2.939085       0.7582609 0.8959073      1.184304  6.576352       4.590779  
1 1 1 21 27 15 o 16.87447 2.325186  3.012200       0.6540728 2.859812       0.7424358 3.540511       1.382382  -0.7069912     4.650373  
1 1 1 21 27 16 o 27.80198 2.097223  7.999580       0.9092421 7.641131       1.003542  9.642464       2.148452  -1.506376      4.194447  
1 1 1 21 27 17 o 14.34100 3.395082  2.854632       1.139621  2.629189       1.516222  3.147368       1.727753  -0.9772358     6.790163  
1 1 1 21 28 0  o 28.13721 1.755703  7.975904       0.9620489 7.138770       1.249422  9.195065       1.507796  0.000000       0.000000  
1 1 1 21 28 1  o 7.140855 2.217257  -0.2567238     0.6217465 0.5987108E-01  0.8261343 -0.6702879     0.9442133 0.8246422      4.434514  
1 1 1 21 28 2  o 62.14108 0.9470434 38.24569       1.108257  37.35268       1.348268  40.10600       1.945990  -2.157379      1.894087  
1 1 1 21 28 3  o 52.12983 1.068151  27.22826       1.100561  27.01403       1.446947  27.52231       1.695229  -0.4596558     2.136301  
1 1 1 21 28 4  o 22.21866 1.697830  4.928851       0.7183055 4.816510       0.8844951 5.146459       1.231014  -0.6798363     3.395661  
1 1 1 21 28 5  o 63.41961 1.015318  40.49320       1.275726  41.36308       1.702282  39.37872       1.926806  1.592472       2.030637  
1 1 1 21 28 6  o 32.37993 1.276684  10.44071       0.7883605 10.19812       0.9722608 10.90637       1.347049  -1.030434      2.553369  
1 1 1 21 28 7  o 33.78658 1.202585  10.96639       0.7413718 10.26439       0.8712381 12.80880       1.411432  -3.648697      2.405169  
1 1 1 21 28 8  o 38.32126 1.160588  14.95844       0.7983769 15.17111       0.9445185 14.42622       1.494156  1.095573       2.321176  
1 1 1 21 28 9  o 21.87847 1.744130  5.167831       0.6531742 5.494835       0.7644207 4.283178       1.257310  2.938904       3.488261  
1 1 1 21 28 10 o 34.61503 1.396015  12.70594       0.7857331 13.15363       0.8926193 11.16522       1.655918  3.115402       2.792030  
1 1 1 21 28 11 o 17.94785 2.172788  3.704470       0.6252864 3.984345       0.7199903 2.845567       1.261293  3.763350       4.345576  
1 1 1 21 28 12 o 7.369992 2.337219  -0.1782281     0.6251977 -0.3095346E-01 0.7091930 -0.6918275     1.324381  -1.353616      4.674439  
1 1 1 21 28 13 o 12.32763 2.519575  1.273220       0.6165102 0.7701466      0.7138364 2.750003       1.223042  -6.656320      5.039150  
1 1 1 21 28 14 o 28.67256 1.327561  8.004077       0.7118392 7.220551       0.8493155 9.853955       1.305011  -4.208324      2.655123  
1 1 1 21 28 15 o 9.543171 2.499457  0.9266100      0.6463161 1.201694       0.7867523 0.3556463      1.133470  1.572200       4.998914  
1 1 1 21 28 16 o 23.31943 2.622900  6.489246       0.8939527 6.528404       0.9927481 6.321365       2.055577  3.162596       5.245799  
1 1 1 21 28 17 o 17.86654 3.227335  4.398553       1.151144  3.530212       1.487797  5.693756       1.817051  -4.360302      6.454670  
1 1 1 21 29 0  o 136.7851 1.803891  188.2275       4.930041  189.4527       6.915208  186.9611       7.030484  0.000000       0.000000  
1 1 1 21 29 1  o 93.82800 1.054152  87.79586       1.947867  85.39252       2.526437  91.31837       3.058632  -3.098549      2.108304  
1 1 1 21 29 2  o 33.89956 1.094901  11.57212       0.7367966 11.87822       0.9911625 11.19406       1.101530  1.022041       2.189803  
1 1 1 21 29 3  o 44.68524 1.033791  20.26463       0.8812752 20.82904       1.101321  19.25985       1.469440  1.798946       2.067581  
1 1 1 21 29 4  o 28.79694 1.391023  8.560398       0.7469088 8.974916       0.9177449 7.747236       1.285398  2.195204       2.782046  
1 1 1 21 29 5  o 34.33007 1.461507  12.61238       0.8085308 13.18145       0.9179355 10.64282       1.707700  3.841534       2.923014  
1 1 1 21 29 6  o 22.94843 1.625889  4.867388       0.6685562 4.352500       0.7711152 6.426048       1.341648  -4.351967      3.251778  
1 1 1 21 29 7  o 55.69683 0.9996704 30.59312       1.039412  29.58178       1.251680  32.83984       1.865598  -2.809284      1.999341  
1 1 1 21 29 8  o 28.43626 1.415625  8.173398       0.7317749 8.159246       0.8696416 8.207723       1.354365  0.5710983E-01  2.831250  
1 1 1 21 29 9  o 28.02201 1.362905  7.631668       0.6988814 7.201007       0.8243780 8.732034       1.317731  -2.579548      2.725811  
1 1 1 21 29 10 o 41.04269 1.136129  16.96680       0.8648542 16.87632       1.042613  17.16638       1.548536  -0.1918297     2.272258  
1 1 1 21 29 11 o 14.09300 2.544064  2.069571       0.6685717 1.917927       0.7911237 2.448481       1.250550  -1.524796      5.088127  
1 1 1 21 29 12 o 10.06481 2.349924  1.066532       0.6286092 1.609062       0.7236810 -0.6009578     1.268724  4.194189       4.699848  
1 1 1 21 29 13 o 8.922998 2.534430  0.5411643      0.6392397 0.5510339      0.7524221 0.5155600      1.211906  -1.215362      5.068860  
1 1 1 21 29 14 o 7.563436 2.386336  -0.1148498     0.6729861 -0.8706562E-01 0.7962136 -0.1843558     1.259336  -1.468073      4.772673  
1 1 1 21 29 15 o 20.06500 2.148619  4.702021       0.7204593 4.970201       0.8500687 4.018168       1.357445  3.504236       4.297237  
1 1 1 21 29 16 o 11.35213 2.987963  1.583675       0.9259289 1.933018       1.082731  0.6327413      1.786361  2.131418       5.975927  
1 1 1 21 30 0  o 26.22353 2.253795  6.756000       0.9951519 6.416048       1.134526  7.890227       2.072314  0.000000       0.000000  
1 1 1 21 30 1  o 79.03252 0.9236516 62.65451       1.459836  63.34743       2.058900  61.95396       2.070184  0.8828735      1.847303  
1 1 1 21 30 2  o 73.38629 0.8884162 54.01527       1.303314  54.19227       1.816616  53.82754       1.870911  0.2546921      1.776832  
1 1 1 21 30 3  o 52.57053 1.170984  26.14368       1.086365  24.47796       1.249821  31.29176       2.197196  -6.336872      2.341968  
1 1 1 21 30 4  o 15.00020 2.484960  2.277120       0.7119491 1.923098       0.8860898 2.921943       1.195867  -3.094520      4.969919  
1 1 1 21 30 5  o 49.46127 1.226298  24.66304       1.090050  24.67576       1.285945  24.63059       2.054636  0.2125778      2.452596  
1 1 1 21 30 6  o 34.93511 1.331767  12.25172       0.9178361 11.91960       1.195792  12.72795       1.431919  -1.097660      2.663534  
1 1 1 21 30 7  f 37.77167 1.163908  14.27902       0.7960589 14.13754       0.9413804 14.63411       1.491387  -0.5227661     2.327817  
1 1 1 21 30 8  o 31.17424 1.367183  9.894863       0.7732018 9.984673       0.9201123 9.679030       1.426391  0.6390152      2.734365  
1 1 1 21 30 9  o 11.10497 2.721650  1.094121       0.6769158 0.9168177      0.7948196 1.562317       1.291589  -2.710629      5.443300  
1 1 1 21 30 10 o 9.806100 2.691773  0.6711698      0.7156582 0.5654266      0.8671734 0.8969953      1.267261  -1.894655      5.383545  
1 1 1 21 30 11 o 15.32368 2.453541  2.123465       0.6856588 1.458226       0.7984533 3.991733       1.338074  -7.484791      4.907083  
1 1 1 21 30 12 o 11.26005 2.514032  1.432105       0.6516443 1.775687       0.7592251 0.4708701      1.269903  3.027502       5.028064  
1 1 1 21 30 13 f 12.56740 2.624575  1.638638       0.6515756 1.361252       0.7675937 2.353884       1.232583  -3.072542      5.249150  
1 1 1 21 30 14 o 25.00394 1.841617  7.132405       0.7866099 7.678851       0.9276125 5.733552       1.484153  4.593573       3.683234  
1 1 1 21 30 15 o 14.72225 2.716799  2.399698       0.7843174 1.729219       0.9537045 3.800682       1.378599  -5.526079      5.433598  
1 1 1 21 30 16 f 22.96269 2.988750  6.807701       1.322241  7.038714       1.890507  6.586477       1.850013  0.8521194      5.977501  
1 1 1 21 31 0  o 106.3076 1.504529  113.6309       3.192579  113.4575       4.412717  113.8213       4.624717  0.000000       0.000000  
1 1 1 21 31 1  o 67.06305 0.9422848 44.98463       1.254988  46.32907       1.902384  43.94872       1.669898  1.744423       1.884570  
1 1 1 21 31 2  o 56.53313 1.001577  32.13407       1.108687  31.90376       1.753451  32.28748       1.431057  -0.3873444     2.003154  
1 1 1 21 31 3  o 48.68950 0.8931028 23.79174       0.8691912 23.59123       1.206641  24.00798       1.253120  -0.4207840     1.786206  
1 1 1 21 31 4  o 15.15778 2.599185  2.698766       0.7217115 3.015689       0.8213235 1.624792       1.511939  4.163105       5.198371  
1 1 1 21 31 5  o 11.23335 2.333862  1.406304       0.6510911 2.093768       0.7732280 -0.2689432     1.207042  5.680455       4.667723  
1 1 1 21 31 6  o 40.43704 1.132517  16.48891       0.8487626 16.50565       1.024065  16.45219       1.516949  0.1837921      2.265035  
1 1 1 21 31 7  o 37.87188 1.332756  14.66791       0.9854388 15.36810       1.281229  13.65374       1.541951  2.338070       2.665512  
1 1 1 21 31 8  o 29.10219 1.806994  8.659797       0.9579771 8.653195       1.141193  8.675550       1.762824  0.2356892      3.613987  
1 1 1 21 31 9  o 22.51358 1.884530  5.500076       0.7517357 5.908939       0.8995554 4.553506       1.368722  3.250252       3.769060  
1 1 1 21 31 10 o 36.23749 1.315022  13.28487       0.9269106 13.04675       1.176432  13.67469       1.505204  -0.7145157     2.630045  
1 1 1 21 31 11 o 14.44500 2.480398  2.464203       0.7023069 2.837524       0.8398228 1.595919       1.280790  4.211673       4.960796  
1 1 1 21 31 12 o 21.23367 1.927548  4.604482       0.7386182 4.407738       0.8669835 5.125263       1.410549  -1.148279      3.855096  
1 1 1 21 31 13 o 7.588784 2.342634  0.4565689E-01  0.6499099 0.3075610      0.7668059 -0.6223279     1.224609  0.4089451E-01  4.685268  
1 1 1 21 31 14 o 8.345306 2.573555  0.1809844      0.7086478 0.1647612      0.8129681 0.2323088      1.445996  -1.954850      5.147110  
1 1 1 21 31 15 o 19.69170 2.697419  4.835339       1.023070  3.778527       1.512521  5.726628       1.389032  -5.537861      5.394838  
1 1 1 21 31 16 o 8.588973 4.020905  0.000000       0.000000  ?              ?         -0.3699871     1.720785  ?              ?         
1 1 1 21 32 0  o 65.92447 1.421518  43.91736       1.861664  42.54939       2.743533  45.08479       2.534458  0.000000       0.000000  
1 1 1 21 32 1  o 49.57781 0.8974706 24.64636       0.8891706 23.38242       1.232654  26.01748       1.283863  -2.649067      1.794941  
1 1 1 21 32 2  o 32.71971 1.053285  10.76820       0.6891749 10.96535       0.9745595 10.57098       0.9747214 0.6026688      2.106570  
1 1 1 21 32 3  o 75.24792 0.9937354 56.82163       1.482942  57.65329       2.255187  56.18809       1.968348  0.9203873      1.987471  
1 1 1 21 32 4  o 65.69206 1.102028  43.40008       1.444354  42.57949       1.967000  44.36022       2.127702  -1.318253      2.204056  
1 1 1 21 32 5  f 21.52850 1.781692  4.697483       0.6740828 4.669245       0.7840389 4.777511       1.319911  -0.5456161E-01 3.563384  
1 1 1 21 32 6  o 62.78619 1.145345  40.35686       1.293243  41.19297       1.534475  38.30687       2.402726  2.508118       2.290691  
1 1 1 21 32 7  o 22.82825 2.069973  4.893698       0.7763504 4.569726       0.8649503 6.236467       1.760915  -3.205826      4.139947  
1 1 1 21 32 8  o 13.76191 2.673422  1.777745       0.6970350 1.373251       0.8127618 2.902524       1.355319  -4.820238      5.346843  
1 1 1 21 32 9  o 34.71560 1.541812  12.25465       1.063578  10.44489       1.460523  14.29791       1.551883  -5.506851      3.083625  
1 1 1 21 32 10 o 14.42295 3.056409  2.318629       0.9782511 1.650414       1.401256  2.953937       1.366317  -3.514152      6.112819  
1 1 1 21 32 11 o 8.668400 2.584372  0.1864700      0.6821584 0.5910995E-01  0.7929922 0.5489591      1.337826  -2.816207      5.168744  
1 1 1 21 32 12 o 8.953001 2.634171  0.4270810      0.7822045 0.7351971      0.9609796 -0.1778485     1.346509  0.6851282      5.268342  
1 1 1 21 32 13 o 9.106072 2.672426  0.5210972      0.7940488 0.6670283      1.019763  0.2963510      1.265527  0.1387291      5.344852  
1 1 1 21 32 14 o 12.16707 2.858044  1.863924       0.8460544 2.286703       1.078448  1.187268       1.364351  2.909526       5.716088  
1 1 1 21 32 15 o 13.43299 2.799980  2.291356       0.8081374 2.025158       1.155338  2.546372       1.130814  -1.613439      5.599961  
1 1 1 21 33 0  o 92.26965 1.418172  85.76321       2.613662  87.80447       3.691302  83.71091       3.701272  0.000000       0.000000  
1 1 1 21 33 1  o 50.81744 1.177532  25.21758       1.084547  24.17173       1.274199  27.96754       2.066167  -3.545628      2.355064  
1 1 1 21 33 2  o 33.57748 1.020936  11.33745       0.6853570 11.73528       0.9838423 10.96240       0.9552714 1.144653       2.041872  
1 1 1 21 33 3  o 48.45010 0.9857980 23.63642       0.9496652 23.38711       1.417710  23.83933       1.279030  -0.4960060     1.971596  
1 1 1 21 33 4  o 59.99739 1.060130  36.51406       1.235144  37.45264       1.580432  35.04123       1.979790  2.097870       2.120261  
1 1 1 21 33 5  o 80.57998 1.031834  64.88136       1.578032  63.85083       1.939014  66.90262       2.715595  -1.717163      2.063667  
1 1 1 21 33 6  o 10.90135 2.733676  1.128029       0.7057290 1.225904       0.8288664 0.8700641      1.345645  -0.5909348E-01 5.467351  
1 1 1 21 33 7  o 26.30262 1.894083  6.793473       0.8080660 6.570391       0.9021564 7.698704       1.817312  -1.663671      3.788167  
1 1 1 21 33 8  o 18.00897 2.767581  3.296476       0.8980180 2.900181       1.060966  4.297646       1.686344  -3.239500      5.535162  
1 1 1 21 33 9  o 24.47254 1.721708  5.981018       0.7888664 5.643559       0.9489193 6.736054       1.419394  -1.933128      3.443415  
1 1 1 21 33 10 f 21.40314 2.028453  4.815518       0.7623760 4.845111       0.8906581 4.734407       1.474539  0.7098980      4.056906  
1 1 1 21 33 11 o 10.31428 2.756802  0.9723068      0.7183218 0.9337477      0.8422458 1.075186       1.375748  -1.312453      5.513604  
1 1 1 21 33 12 o 12.92517 3.084558  1.966261       0.9056216 2.044391       1.065784  1.763318       1.717701  0.5413074      6.169117  
1 1 1 21 33 13 o 19.33928 2.533032  4.261794       0.9302801 4.064939       1.176899  4.589622       1.518760  -0.3215389     5.066065  
1 1 1 21 33 14 o 18.98717 2.166552  3.967011       0.8050377 3.567516       1.020262  4.626060       1.310434  -2.167765      4.333104  
1 1 1 21 33 15 o 10.51759 3.964308  1.387754       1.135717  1.387754       1.135717  ?              ?         ?              ?         
1 1 1 21 34 0  o 10.69420 4.076203  0.8093914      1.141553  3.476315       2.305303  -0.5701236E-01 1.313962  0.000000       0.000000  
1 1 1 21 34 1  o 55.90931 0.9072773 31.42080       1.014202  30.86053       1.443049  31.96768       1.425704  -0.9934349     1.814555  
1 1 1 21 34 2  o 16.83514 2.024394  3.020496       0.6499674 2.376316       0.9518111 3.583364       0.8897132 -3.874078      4.048788  
1 1 1 21 34 3  o 36.53285 1.095525  13.51615       0.7955167 14.27205       1.086798  12.64366       1.167605  2.248020       2.191049  
1 1 1 21 34 4  o 34.30755 1.149914  11.86858       0.7888615 11.70669       1.102454  12.03844       1.129266  -0.4763641     2.299828  
1 1 1 21 34 5  o 27.01514 2.225132  9.056380       0.8383817 10.00675       0.9449675 5.542081       1.817150  8.977720       4.450265  
1 1 1 21 34 6  o 8.123251 2.445671  0.1058313      0.6847395 0.3770067      0.8293704 -0.4747757     1.213569  0.2154188      4.891343  
1 1 1 21 34 7  o 10.81229 2.769830  0.7089050      0.7130017 0.2711678      0.8258497 1.990362       1.413013  -5.723866      5.539660  
1 1 1 21 34 8  o 10.21214 2.699119  0.6212768      0.6903679 0.2205991      0.8072442 1.712291       1.332056  -5.017808      5.398238  
1 1 1 21 34 9  o 18.28729 2.455563  4.517062       0.7654536 5.567283       0.9056141 1.889828       1.432360  10.12209       4.911125  
1 1 1 21 34 10 o 26.03833 1.969483  6.638854       0.8261874 6.315470       0.9180880 8.015871       1.894506  -2.380999      3.938965  
1 1 1 21 34 11 o 9.304545 2.949382  0.6023823E-01  0.7713937 -0.2914167E-01 0.8251928 0.6794286      2.171939  -4.479909      5.898764  
1 1 1 21 34 12 o 21.75790 3.025696  5.739536       0.8727096 5.750397       0.9367415 5.668142       2.401695  3.445667       6.051392  
1 1 1 21 34 13 o 12.94777 3.267185  2.058529       0.9449869 2.036425       1.047976  2.154695       2.185904  -0.1520882     6.534370  
1 1 1 21 34 14 o 21.07981 2.309408  5.170867       0.9350159 5.389833       1.243839  4.886371       1.417797  1.882288       4.618815  
1 1 1 21 35 0  o 6.885402 3.064661  0.3224999      0.8383988 0.2078445      1.066946  0.5075745      1.355559  0.000000       0.000000  
1 1 1 21 35 1  o 57.11383 1.178648  33.07739       1.240652  32.49236       2.230528  33.33946       1.492893  -0.9377251     2.357296  
1 1 1 21 35 2  o 39.18689 1.005854  15.46604       0.7879223 14.91435       1.115164  16.01600       1.113418  -1.406052      2.011709  
1 1 1 21 35 3  o 31.67209 1.120025  10.11729       0.7092437 9.968968       0.9881003 10.27492       1.018641  -0.4743423     2.240049  
1 1 1 21 35 4  o 29.95570 1.308722  9.099631       0.7830210 9.187552       1.082845  9.003272       1.133617  0.3261929      2.617444  
1 1 1 21 35 5  o 40.58070 1.277866  16.42001       1.021468  15.25175       1.316382  18.18797       1.619385  -3.506416      2.555731  
1 1 1 21 35 6  o 18.76819 2.143145  3.662442       0.7449396 3.565681       0.9174222 3.849714       1.276306  -0.2313614     4.286290  
1 1 1 21 35 7  o 45.45134 1.145970  20.94381       0.9562121 20.93726       1.145085  20.95891       1.738055  0.2277374      2.291941  
1 1 1 21 35 8  o 21.01744 2.033821  4.591435       0.7962575 4.545624       0.9642081 4.689672       1.411951  0.4186630E-02  4.067642  
1 1 1 21 35 9  o 11.71905 2.711236  1.529779       0.7510706 1.897223       0.8856341 0.5886399      1.417380  2.779930       5.422473  
1 1 1 21 35 10 o 11.26310 2.637946  0.6200343      0.7329308 -0.2769771     0.8605657 2.989247       1.398579  -9.007532      5.275892  
1 1 1 21 35 11 o 16.54477 2.875730  2.452757       0.7860364 1.874300       0.8672746 5.113737       1.860123  -7.518629      5.751459  
1 1 1 21 35 12 o 9.188772 2.758298  0.3028427      0.8070926 -0.2366921E-01 0.9542603 1.123358       1.512728  -3.444487      5.516596  
1 1 1 21 35 13 o 7.525901 2.460223  -0.5084687     0.8641464 -0.6076071     1.144281  -0.3768874     1.318283  -0.8226023     4.920446  
1 1 1 21 35 14 o 9.089216 2.849825  0.4682086      0.9902170 0.5923867      1.186306  0.1829164      1.798122  -0.4707184     5.699651  
1 1 1 21 36 0  o 15.62632 3.880034  3.161158       0.9913908 3.031612       1.134420  3.579918       2.039596  0.000000       0.000000  
1 1 1 21 36 1  o 47.19140 0.9518939 22.42926       0.8983963 22.18410       1.266341  22.67769       1.274749  -0.5207138     1.903788  
1 1 1 21 36 2  o 45.48981 0.9750755 20.85291       0.8871037 20.99727       1.254517  20.70852       1.254591  0.3173943      1.950151  
1 1 1 21 36 3  o 17.70789 2.132654  3.015243       0.7085354 4.431386       1.240597  2.329712       0.8631587 5.935059       4.265309  
1 1 1 21 36 4  o 23.48907 1.515869  5.580808       0.7076343 6.537619       1.044315  4.768532       0.9622110 3.730663       3.031738  
1 1 1 21 36 5  o 16.02153 2.510218  2.714935       0.7320312 2.580715       0.8730554 3.032683       1.343307  -0.9552412     5.020436  
1 1 1 21 36 6  o 22.70895 1.834706  5.371986       0.7750785 5.429886       0.9421063 5.250711       1.363461  0.6782589      3.669412  
1 1 1 21 36 7  o 27.07578 1.688718  7.788122       0.8665412 8.406099       1.094358  6.749376       1.418823  3.265873       3.377437  
1 1 1 21 36 8  o 19.83565 2.048046  3.670233       0.7462109 3.069323       0.8709958 5.328316       1.446818  -5.232208      4.096092  
1 1 1 21 36 9  o 9.526920 2.457437  0.7590705      0.7452222 1.544289       0.8374862 -2.227197      1.633228  4.348912       4.914873  
1 1 1 21 36 10 o 6.398684 2.191900  -1.305796      0.7189224 -1.398471      0.8356007 -1.041712      1.410547  -2.561718      4.383801  
1 1 1 21 36 11 o 13.21401 2.920134  2.140158       0.8076918 2.225233       0.9273582 1.872853       1.643808  1.217732       5.840267  
1 1 1 21 36 12 o 30.32510 1.878397  10.38033       1.089402  12.02600       1.439804  8.176546       1.666160  6.725660       3.756794  
1 1 1 21 36 13 o 13.77196 3.108695  2.502093       0.9696189 2.118111       1.318872  2.953766       1.430405  -2.092789      6.217390  
1 1 1 21 37 0  o 36.77523 1.563328  13.78708       1.104857  13.74636       1.398477  13.85470       1.802227  0.000000       0.000000  
1 1 1 21 37 1  o 41.78586 1.049713  17.59215       0.8731833 17.38675       1.176338  17.84421       1.303105  -0.5097427     2.099426  
1 1 1 21 37 2  o 39.25994 1.102674  15.65819       0.8594944 16.55755       1.169553  14.60213       1.267345  2.521076       2.205349  
1 1 1 21 37 3  o 11.90660 2.427745  1.504542       0.6424121 2.127024       0.9026659 0.8656790      0.9144648 4.173291       4.855491  
1 1 1 21 37 4  o 34.47356 1.455915  12.29039       0.9252669 11.76789       1.648237  12.53082       1.118057  -1.385715      2.911830  
1 1 1 21 37 5  o 30.52385 1.598974  9.965852       0.9022127 10.79601       1.114278  8.385653       1.537338  4.182821       3.197949  
1 1 1 21 37 6  o 22.79668 1.868466  5.409070       0.7829572 5.422006       0.9406038 5.379882       1.412827  0.4368916      3.736933  
1 1 1 21 37 7  o 19.66433 2.185982  4.067005       0.7576628 3.988409       0.8977959 4.261494       1.412291  0.5053139E-01  4.371964  
1 1 1 21 37 8  o 18.74243 2.272337  3.784325       0.8025324 3.574279       1.002057  4.160047       1.340194  -0.7971382     4.544674  
1 1 1 21 37 9  o 11.77456 2.487947  1.727230       0.7951329 2.612047       0.9150502 -1.000547      1.606655  6.948280       4.975894  
1 1 1 21 37 10 o 20.03152 2.434734  4.709230       0.8061367 4.857312       0.9348419 4.279764       1.592034  2.920641       4.869467  
1 1 1 21 37 11 o 11.92148 2.847220  1.803046       0.8508267 2.231704       1.019767  0.8211201      1.543424  3.247683       5.694441  
1 1 1 21 37 12 o 14.22900 2.850667  2.453679       0.9307097 1.146816       1.250114  4.078843       1.394065  -7.673800      5.701334  
1 1 1 21 37 13 o 10.53630 2.803039  1.086032       0.9108167 2.510591       1.320835  -0.2055241     1.257665  5.544819       5.606077  
1 1 1 21 38 0  o 7.672225 3.580334  0.1980504E-02  1.058411  -0.2029838     1.181041  0.8380594      2.385337  0.000000       0.000000  
1 1 1 21 38 1  o 17.90177 1.820277  3.312199       0.6487303 2.903862       0.8983530 3.757188       0.9378047 -2.356508      3.640554  
1 1 1 21 38 2  o 39.11507 1.077804  15.47705       0.8426633 15.15189       1.167539  15.83060       1.217438  -0.8473053     2.155608  
1 1 1 21 38 3  o 30.36345 1.348965  9.381333       0.8177671 9.236173       1.120363  9.546859       1.196370  -0.4745770     2.697931  
1 1 1 21 38 4  o 39.96940 1.278255  15.96500       0.9922129 15.10544       1.246815  17.44944       1.638498  -2.743427      2.556510  
1 1 1 21 38 5  o 39.55907 1.082423  15.85588       0.8562810 15.70994       1.217099  15.99893       1.204921  -0.3704681     2.164846  
1 1 1 21 38 6  f 26.91849 1.920527  7.284077       1.010205  5.527824       1.304697  9.913128       1.596304  -7.910408      3.841053  
1 1 1 21 38 7  o 8.055792 2.499890  0.7089742E-02  0.7463666 0.2721500      0.8862645 -0.6393828     1.384096  -0.1513600     4.999779  
1 1 1 21 38 8  o 11.85486 2.860366  1.471491       0.7665566 1.195451       0.9210542 2.093600       1.382714  -2.733114      5.720732  
1 1 1 21 38 9  o 12.70312 2.920007  2.072440       0.8378896 2.380414       0.9154092 0.4816232      2.080503  3.415218       5.840015  
1 1 1 21 38 10 o 16.85753 2.821316  3.532001       0.8977001 3.630429       1.091637  3.326407       1.577702  1.899117       5.642632  
1 1 1 21 38 11 o 12.55334 3.022842  2.019938       0.9097386 2.101306       1.296117  1.940925       1.277221  0.4154596      6.045684  
1 1 1 21 38 12 o 9.630894 2.871404  0.8221463      0.9439350 0.7420900      1.286158  0.9156109      1.389698  -0.4650507     5.742807  
1 1 1 21 39 0  o 13.10909 3.166152  2.586097       0.9684919 3.822742       1.245143  0.6920193      1.540976  0.000000       0.000000  
1 1 1 21 39 1  o 22.25249 1.672548  5.102788       0.7443591 5.105423       1.050410  5.100130       1.054970  0.1483345E-01  3.345096  
1 1 1 21 39 2  o 17.67445 2.254698  3.273961       0.7673550 4.510855       1.175679  2.355966       1.012844  6.197371       4.509395  
1 1 1 21 39 3  o 26.89916 1.927841  7.971875       0.8673650 8.409989       1.004083  6.683662       1.721748  3.715372       3.855683  
1 1 1 21 39 4  o 47.79817 1.353069  22.04844       1.186337  26.50225       2.247416  20.32803       1.396797  6.015900       2.706138  
1 1 1 21 39 5  o 16.66739 2.313332  3.085415       0.7399420 3.011269       1.107652  3.145169       0.9943629 -0.5777340     4.626664  
1 1 1 21 39 6  o 17.66961 2.503048  4.161420       0.8034647 5.168350       0.9706899 1.970436       1.431860  9.232541       5.006096  
1 1 1 21 39 7  o 7.168136 2.353199  -0.6495723     0.7362340 -0.7856897     0.8825527 -0.3380737     1.335094  -2.260107      4.706398  
1 1 1 21 39 8  o 17.84978 3.248001  3.881538       1.200079  2.568917       1.584931  5.645295       1.837216  -7.175546      6.496002  
1 1 1 21 39 9  o 9.389512 2.850472  -0.1389875     0.9835875 -1.155394      1.243542  1.559458       1.607505  -4.948349      5.700945  
1 1 1 21 39 10 o 13.41181 3.201915  2.286248       0.9952545 2.006585       1.257889  2.754373       1.627444  -1.632922      6.403831  
1 1 1 21 39 11 o 12.99272 3.322821  2.165962       1.103702  2.990601       1.736069  1.606572       1.429857  2.975069       6.645641  
1 1 1 21 39 12 o 10.31419 3.040851  1.166065       1.064989  0.6058078      1.628406  1.584807       1.407805  -1.446895      6.081702  
1 1 1 21 40 0  o 15.42277 3.703650  3.398232       1.067905  3.940357       1.374470  2.572518       1.696291  0.000000       0.000000  
1 1 1 21 40 1  o 9.297976 2.536331  0.5490242      0.7030518 1.170855       1.008352  -0.3923450E-01 0.9807536 3.006406       5.072661  
1 1 1 21 40 2  f 12.71629 2.688301  1.884802       0.7780675 2.404002       0.9619577 0.9024767      1.323171  4.049646       5.376603  
1 1 1 21 40 3  o 19.42846 1.901373  3.985846       0.7370511 4.249700       1.036351  3.715795       1.048450  1.386171       3.802745  
1 1 1 21 40 4  f 10.13016 2.690134  0.9260752      0.7854492 0.9248479E-01  1.256376  1.460907       1.006356  -2.664136      5.380268  
1 1 1 21 40 5  o 14.17320 2.434177  2.304955       0.6841022 2.347833       0.9670458 2.262003       0.9678882 0.2891531      4.868353  
1 1 1 21 40 6  o 27.59359 1.875262  7.970589       0.9626635 7.714454       1.159341  8.539333       1.727568  -0.7925186     3.750524  
1 1 1 21 40 7  o 9.570642 2.959340  0.3907820      0.8915783 0.4441496      0.9867316 0.1534232      2.080957  -2.012959      5.918680  
1 1 1 21 40 8  f 12.54953 3.130985  1.948824       0.9628030 2.166208       1.126402  1.359245       1.855027  1.561967       6.261970  
1 1 1 21 40 9  o 21.30971 2.586851  5.433489       0.9471824 5.528357       1.119638  5.194704       1.776320  2.623735       5.173702  
1 1 1 21 40 10 o 8.447941 2.645434  0.9271070E-01  0.8845003 0.1646217      1.298114  0.3039188E-01  1.208439  0.4446115      5.290868  
1 1 1 21 40 11 o 14.05297 3.636100  3.047997       1.256978  3.821823       2.340700  2.734409       1.490059  0.9043427      7.272201  
1 1 1 21 41 0  o 26.68614 2.171728  7.673103       1.126155  8.268293       1.500432  6.905268       1.704204  0.000000       0.000000  
1 1 1 21 41 1  o 17.41779 2.683484  3.313603       0.8679489 2.891757       1.056855  4.187600       1.521224  -2.868817      5.366968  
1 1 1 21 41 2  o 7.061772 2.269781  -0.4575846     0.7113792 -0.1054231     0.9607132 -0.8850516     1.058459  0.8048549      4.539562  
1 1 1 21 41 3  o 15.15689 2.512069  2.576229       0.7533064 3.487666       1.154154  1.899781       0.9943010 4.740363       5.024137  
1 1 1 21 41 4  o 11.03414 2.810648  1.305215       0.7979437 1.091788       1.142673  1.508347       1.114770  -1.071886      5.621297  
1 1 1 21 41 5  o 25.86406 1.476418  6.974916       0.7629591 6.794199       1.093637  7.146266       1.064911  -0.7093658     2.952836  
1 1 1 21 41 6  o 9.753191 2.711691  0.8569714      0.7798254 1.053391       1.051249  0.6166320      1.162856  0.8028574      5.423381  
1 1 1 21 41 7  o 22.02180 2.447750  5.351538       0.8804556 5.149143       1.002527  6.034117       1.841081  -0.5735397E-02 4.895501  
1 1 1 21 41 8  o 19.05449 2.896571  4.905079       1.002378  5.471565       1.188656  3.510508       1.865016  6.648431       5.793142  
1 1 1 21 41 9  o 12.55515 2.974850  2.000046       0.8793468 2.216383       1.287823  1.811078       1.203612  1.059018       5.949700  
1 1 1 21 41 10 o 26.96552 2.781399  8.307344       1.500037  8.307344       1.500037  ?              ?         ?              ?         
1 1 1 21 42 0  o 26.36932 2.441724  7.501328       1.243396  7.169086       1.605114  7.999852       1.966171  0.000000       0.000000  
1 1 1 21 42 1  o 33.25633 1.270348  11.38550       0.8444943 10.97786       1.172337  11.82518       1.217536  -1.235500      2.540696  
1 1 1 21 42 2  o 35.01092 1.303807  12.59307       0.9107543 13.48792       1.346042  11.83749       1.236874  2.262470       2.607615  
1 1 1 21 42 3  o 18.45368 2.130383  3.758147       0.7651642 3.931000       1.053684  3.565298       1.112958  1.349815       4.260766  
1 1 1 21 42 4  o 11.21729 2.651203  1.392630       0.7576140 0.5566020      1.114521  2.110797       1.032976  -4.187205      5.302406  
1 1 1 21 42 5  o 16.20890 2.547010  2.998017       0.7981745 2.445186       1.035679  3.806653       1.252579  -3.671976      5.094019  
1 1 1 21 42 6  o 14.54640 2.726731  2.593718       0.7999172 2.509550       1.055807  2.707133       1.225593  -0.3020163     5.453462  
1 1 1 21 42 7  o 9.739315 2.968744  -0.2643161     0.9592532 -1.113186      1.109992  2.239886       1.906488  -6.605906      5.937487  
1 1 1 21 42 8  o 10.76703 3.098934  1.157851       1.042043  0.9018530      1.394131  1.481929       1.568590  -1.294179      6.197867  
1 1 1 21 42 9  f 10.36659 2.990951  1.235082       0.9629624 1.135117       1.237631  1.388444       1.532943  -0.7188568     5.981901  
1 1 1 21 43 0  o 20.79989 3.310833  5.902947       1.123477  7.658625       1.477917  3.499549       1.729180  0.000000       0.000000  
1 1 1 21 43 1  f 10.70093 2.687231  1.177211       0.7482461 1.839069       1.102978  0.6129305      1.018431  3.396862       5.374463  
1 1 1 21 43 2  o 15.97701 2.735320  3.038613       0.8489122 3.215081       1.361624  2.926405       1.085762  0.3270454      5.470640  
1 1 1 21 43 3  o 11.50015 2.910979  1.531999       0.8718735 0.9351746      1.421592  1.891849       1.103855  -2.069514      5.821958  
1 1 1 21 43 4  o 17.33956 2.444068  3.453758       0.8294453 2.602318       1.115163  4.508048       1.240913  -5.461452      4.888137  
1 1 1 21 43 5  f 11.20261 2.570537  0.9422247      0.8340590 -0.7399661     1.125484  2.991439       1.242211  -8.554749      5.141073  
1 1 1 21 43 6  o 17.74237 2.635116  3.924092       0.9057620 4.425860       1.183617  3.215011       1.407043  4.187386       5.270231  
1 1 1 21 43 7  o 22.21781 2.739282  6.306474       1.127173  8.927259       1.569972  3.518411       1.619300  12.37448       5.478564  
1 1 1 21 43 8  o 10.45640 3.023876  1.187554       0.9995711 0.6762419      1.305246  1.912688       1.554383  -2.503397      6.047751  
1 1 1 21 44 0  o 18.63593 3.586007  4.405080       1.098421  4.042517       1.336838  5.158508       1.927113  0.000000       0.000000  
1 1 1 21 44 1  o 21.29103 2.586600  5.360786       1.067595  4.596046       1.492048  6.163051       1.528217  -3.926851      5.173200  
1 1 1 21 44 2  o 7.953970 2.426550  0.9810150E-01  0.7349356 0.6182157      0.9826458 -0.5621909     1.107174  1.717326       4.853100  
1 1 1 21 44 3  o 10.60266 2.852681  1.130758       0.8498844 0.6228425      1.129311  1.794126       1.290610  -2.903584      5.705363  
1 1 1 21 44 4  o 20.62654 2.570136  4.929181       0.9541567 5.461416       1.729219  4.696197       1.144091  0.5106735E-01  5.140271  
1 1 1 21 44 5  o 13.80346 3.033151  2.442734       0.9313108 1.955049       1.248758  3.053939       1.397984  -2.834314      6.066303  
1 1 1 21 44 6  o 11.91365 3.053407  1.811391       0.9181228 1.748739       1.154534  1.919172       1.514292  -0.3720226     6.106815  
1 1 1 21 44 7  o 8.968522 2.823147  0.1834743      1.069734  1.113683       1.472751  -0.8553708     1.556376  2.399184       5.646293  
1 1 1 21 45 0  o 37.77978 2.170774  15.92058       1.538380  17.39479       1.972935  13.63407       2.457079  0.000000       0.000000  
1 1 1 21 45 1  o 30.67001 1.668409  10.19082       1.018001  11.06461       1.420301  9.267691       1.459856  2.995453       3.336818  
1 1 1 21 45 2  o 17.34401 2.722442  3.732225       0.9187471 3.671001       1.345445  3.785717       1.257607  -0.5619640     5.444883  
1 1 1 21 45 3  o 17.43117 2.886838  3.753947       0.9725906 3.385478       1.245639  4.329410       1.556680  -1.768301      5.773676  
1 1 1 21 45 4  o 8.557344 2.661585  0.1872656      0.8950141 0.5178658      1.182947  -0.2553573     1.368771  0.7497911      5.323169  
1 1 1 21 45 5  o 17.91068 2.715079  4.371187       0.9526458 5.294735       1.236948  3.024772       1.493520  7.079068       5.430158  
1 1 1 21 45 6  o 26.44233 2.704519  8.506701       1.355947  10.09201       2.373343  7.738486       1.652133  1.937422       5.409038  
1 1 1 21 46 0  o 14.48542 3.916827  3.170649       1.634788  6.806950       2.288605  -0.6178287     2.336002  0.000000       0.000000  
1 1 1 21 46 1  o 20.53909 2.552027  5.105403       1.022054  5.703469       1.558134  4.653738       1.354061  2.254366       5.104055  
1 1 1 21 46 2  o 12.63012 3.121518  2.249634       0.9790156 1.976284       1.440825  2.484084       1.334370  -1.350123      6.243036  
1 1 1 21 46 3  f 28.61994 2.219980  9.784735       1.219554  12.50714       1.726318  7.072453       1.723106  9.485634       4.439960  
1 1 1 21 46 4  o 8.234659 2.630720  -0.9889487E-01 0.9265224 0.6658491      1.413564  -0.6749048     1.226796  2.256971       5.261439  
1 1 1 22 0  0  o 198.9258 3.445957  393.2701       13.59401  427.3688       20.77736  367.7484       17.97530  0.000000       0.000000  
1 1 1 22 0  1  o 170.3060 2.098967  290.6206       7.144467  290.0117       10.09217  291.2324       10.11547  0.000000       0.000000  
1 1 1 22 0  2  o 51.86411 1.544235  27.04180       1.595182  27.84678       2.288304  26.28082       2.224888  0.000000       0.000000  
1 1 1 22 0  3  o 92.67139 1.588252  87.52098       2.804267  81.13538       4.641005  91.19307       3.519391  0.000000       0.000000  
1 1 1 22 0  4  o 85.45015 1.501700  72.80830       2.384333  72.13785       2.878586  74.27359       4.255573  0.000000       0.000000  
1 1 1 22 0  5  o 69.10688 1.446080  46.95060       1.830606  50.34237       3.388084  45.55219       2.175491  0.000000       0.000000  
1 1 1 22 0  6  o 6.455545 3.110532  -1.240875      0.8605482 -1.790181      0.9654514 0.8827380      1.898283  0.000000       0.000000  
1 1 1 22 0  7  o 56.71847 1.711111  32.45427       1.928652  30.90456       2.779952  33.89235       2.677958  0.000000       0.000000  
1 1 1 22 0  8  o 40.91740 1.954060  17.04114       1.578161  16.42185       2.307211  17.58566       2.163435  0.000000       0.000000  
1 1 1 22 0  9  o 121.7920 2.294069  149.0193       5.577524  149.4524       7.991671  148.6080       7.787896  0.000000       0.000000  
1 1 1 22 0  10 o 8.711377 3.916840  0.1115861      1.438992  1.146955       2.262302  -0.5919629     1.864877  0.000000       0.000000  
1 1 1 22 0  11 o 55.36249 1.856429  29.67690       1.975118  35.82883       3.361487  26.43310       2.440915  0.000000       0.000000  
1 1 1 22 0  12 o 11.71137 3.985894  1.738121       1.447269  -1.339231      2.399287  3.498307       1.814566  0.000000       0.000000  
1 1 1 22 0  13 o 63.33547 1.870596  40.63121       2.350459  39.43169       3.456615  41.66288       3.205657  0.000000       0.000000  
1 1 1 22 0  14 o 9.211382 3.998761  0.8592116      1.368541  0.8975627      2.141213  0.8327253      1.779434  0.000000       0.000000  
1 1 1 22 0  15 o 37.73201 2.225503  14.76046       1.619622  14.63947       2.562719  14.84093       2.089906  0.000000       0.000000  
1 1 1 22 0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 0  17 o 43.28380 2.814178  20.14772       2.079340  19.44073       4.037344  20.40295       2.425808  0.000000       0.000000  
1 1 1 22 0  18 o 20.09643 3.867764  6.687891       1.711317  1.389197       2.982466  9.288713       2.089519  0.000000       0.000000  
1 1 1 22 0  19 o 9.261147 4.247012  0.5867164      1.677993  1.831507       2.931988  -0.1957579E-01 2.046232  0.000000       0.000000  
1 1 1 22 0  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 0  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 1  0  o 98.04248 1.615538  96.89973       3.020037  98.25597       3.763089  94.44553       5.062119  0.000000       0.000000  
1 1 1 22 1  1  o 53.54156 0.8365678 28.33110       0.8787810 30.40307       1.405556  27.00138       1.125994  3.172569       1.673136  
1 1 1 22 1  2  o 58.05139 0.8737286 33.70078       1.014182  32.70115       1.420490  34.74016       1.448457  -1.755764      1.747457  
1 1 1 22 1  3  o 125.6080 1.218950  158.3733       3.047381  152.4989       4.488318  163.3973       4.150745  -4.346169      2.437901  
1 1 1 22 1  4  f 43.50819 1.138953  19.65847       0.9481162 22.11126       1.226860  16.02163       1.493919  7.004593       2.277907  
1 1 1 22 1  5  o 98.05602 1.018419  96.17489       1.977098  95.90055       2.615030  96.54095       3.020722  -0.3162231     2.036837  
1 1 1 22 1  6  o 53.07137 1.190904  25.74851       1.080113  33.01780       2.327336  23.75299       1.219387  8.695759       2.381808  
1 1 1 22 1  7  o 119.6207 1.580733  143.3110       3.780978  145.9976       5.415164  140.7553       5.281559  2.185532       3.161467  
1 1 1 22 1  8  o 25.22836 2.130788  6.484364       1.055610  7.771102       1.477779  5.143730       1.508410  5.209202       4.261576  
1 1 1 22 1  9  o 48.25354 1.830461  23.32234       1.766524  23.32234       1.766524  ?              ?         ?              ?         
1 1 1 22 1  10 o 11.96449 3.065109  1.057372       1.010626  1.926885       1.370957  0.2249046E-01  1.495654  3.866283       6.130218  
1 1 1 22 1  11 f 43.18450 1.382740  18.68959       1.189603  21.05741       1.718235  16.50973       1.648628  5.259148       2.765480  
1 1 1 22 1  12 o 41.49598 1.461336  17.23145       1.209488  16.15320       1.638458  18.52257       1.792906  -2.833588      2.922672  
1 1 1 22 1  13 o 29.02238 1.854568  8.511617       1.074001  7.760517       1.500768  9.300074       1.537637  -2.644852      3.709137  
1 1 1 22 1  14 o 14.36115 2.645006  1.883333       0.9614314 -0.3349245     1.345255  4.199276       1.374557  -11.09564      5.290013  
1 1 1 22 1  15 f 23.04603 3.059311  5.461828       1.410100  5.461828       1.410100  ?              ?         ?              ?         
1 1 1 22 1  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 1  17 o 18.32460 2.800812  3.298249       1.112144  0.9801165      1.426983  6.884878       1.774978  -14.27888      5.601624  
1 1 1 22 1  18 o 45.61478 2.223722  0.000000       0.000000  ?              ?         21.38172       2.028692  ?              ?         
1 1 1 22 1  19 o 11.27535 3.327739  0.9077899      1.260728  1.375870       1.800801  0.4578331      1.765596  1.518290       6.655478  
1 1 1 22 1  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 1  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 2  0  o 14.20811 3.400621  2.849346       0.9480985 3.552918       1.201874  1.690214       1.542664  0.000000       0.000000  
1 1 1 22 2  1  o 87.15268 0.8688331 75.80024       1.512122  72.76690       2.069835  79.27212       2.214405  -3.729851      1.737666  
1 1 1 22 2  2  o 160.4761 1.618429  257.8777       5.194338  257.8001       7.361151  257.9547       7.330750  -0.4908752E-01 3.236859  
1 1 1 22 2  3  o 124.4545 1.124569  154.9096       2.798029  157.9370       4.026901  152.0836       3.890638  2.348648       2.249138  
1 1 1 22 2  4  o 163.6439 1.546613  268.2820       5.011253  267.5086       7.640839  268.8658       6.638386  -0.4483032     3.093227  
1 1 1 22 2  5  o 73.24084 0.8775163 53.85696       1.279998  56.21172       1.756422  51.19002       1.869221  3.430687       1.755033  
1 1 1 22 2  6  o 119.3177 1.769968  139.4219       3.554584  148.7599       7.527542  136.7421       4.032492  4.885551       3.539935  
1 1 1 22 2  7  o 67.54462 1.100953  44.74555       1.394909  43.11362       1.685634  48.29109       2.484587  -3.808914      2.201906  
1 1 1 22 2  8  o 102.9268 1.437680  106.0936       2.957569  105.0337       4.100096  107.2434       4.270368  -1.065628      2.875359  
1 1 1 22 2  9  o 85.54805 1.319952  73.30167       2.258041  72.84122       3.161762  73.78100       3.225909  -0.5463181     2.639904  
1 1 1 22 2  10 o 35.56871 1.576364  12.63982       1.117912  12.06887       1.510773  13.33076       1.661950  -1.762989      3.152728  
1 1 1 22 2  11 o 67.06883 1.775762  45.11320       2.381966  45.11320       2.381966  ?              ?         ?              ?         
1 1 1 22 2  12 o 21.85458 2.402503  4.842506       1.048238  4.725300       1.433379  4.977252       1.536894  -0.5527668     4.805007  
1 1 1 22 2  13 o 20.49582 2.511789  4.330954       0.9976883 3.504483       1.361081  5.290700       1.466723  -4.642708      5.023578  
1 1 1 22 2  14 o 21.72850 3.506563  0.000000       0.000000  ?              ?         4.861010       1.523847  ?              ?         
1 1 1 22 2  15 o 44.82069 1.423998  20.27748       1.273378  19.55870       1.730154  21.12701       1.880936  -1.703663      2.847997  
1 1 1 22 2  16 o 53.46975 1.451476  28.92172       1.548318  27.32947       2.100682  30.81551       2.290977  -3.185905      2.902953  
1 1 1 22 2  17 o 37.89409 1.745724  14.76412       1.320554  14.06314       1.801066  15.57908       1.941976  -1.910473      3.491448  
1 1 1 22 2  18 o 18.15197 3.157093  3.665259       1.187090  2.143599       1.584046  5.614585       1.792881  -8.398008      6.314186  
1 1 1 22 2  19 o 12.66155 3.495120  1.713910       1.284099  1.914885       1.760645  1.485516       1.876905  0.6851768      6.990239  
1 1 1 22 2  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 2  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 3  0  o 136.6804 2.098990  188.4871       5.472031  191.4226       6.822763  183.1944       9.161435  0.000000       0.000000  
1 1 1 22 3  1  o 48.31839 0.8056649 23.33215       0.7781815 22.42470       1.082414  24.30294       1.119555  -1.943069      1.611330  
1 1 1 22 3  2  o 164.3520 1.661217  267.5500       5.413243  292.3776       8.342132  249.4917       7.114542  13.00894       3.322433  
1 1 1 22 3  3  o 81.53593 0.8408935 66.23656       1.367993  62.68908       1.857810  70.43815       2.021852  -4.749229      1.681787  
1 1 1 22 3  4  o 11.70992 2.262801  1.423508       0.5422567 1.350332       0.8301895 1.477957       0.7161252 -0.3968887     4.525601  
1 1 1 22 3  5  o 49.78152 0.8054898 24.32537       0.7732686 26.52150       1.300324  23.12382       0.9618161 3.405735       1.610980  
1 1 1 22 3  6  o 105.9199 1.370536  0.000000       0.000000  ?              ?         112.2654       2.903340  ?              ?         
1 1 1 22 3  7  f 96.06011 1.350832  92.26594       2.578792  91.19069       3.448506  93.63003       3.884165  -1.253555      2.701663  
1 1 1 22 3  8  o 27.73531 2.351201  7.553548       1.241070  8.301134       2.153486  7.181776       1.518625  1.970385       4.702403  
1 1 1 22 3  9  o 37.24468 1.534001  14.16497       1.118156  15.56471       1.485673  12.33619       1.698170  4.345478       3.068002  
1 1 1 22 3  10 o 85.60040 1.318533  73.47967       2.254204  74.18905       3.115456  72.70021       3.265701  0.8788986      2.637066  
1 1 1 22 3  11 o 93.24415 3.153087  0.000000       0.000000  ?              ?         87.74311       5.880139  ?              ?         
1 1 1 22 3  12 o 30.45395 1.873217  9.304492       1.137082  8.383176       1.544008  10.39635       1.680847  -3.280676      3.746433  
1 1 1 22 3  13 o 14.34488 3.161470  2.031463       0.9901640 1.657708       1.268614  2.614077       1.583895  -2.843230      6.322939  
1 1 1 22 3  14 o 54.40779 1.307523  29.60121       1.409809  28.11003       1.853516  31.64809       2.171593  -3.178757      2.615045  
1 1 1 22 3  15 o 33.07597 1.663044  11.29684       1.080384  12.40182       1.447601  9.907492       1.623226  3.831871       3.326088  
1 1 1 22 3  16 o 31.62058 3.005045  0.000000       0.000000  ?              ?         10.34562       1.900425  ?              ?         
1 1 1 22 3  17 o 15.07360 3.191692  2.236703       1.100524  0.9991709      1.412408  4.149120       1.755793  -7.793832      6.383384  
1 1 1 22 3  18 o 19.91967 2.990138  4.398138       1.144033  3.742998       1.488710  5.343046       1.787878  -3.577438      5.980277  
1 1 1 22 3  19 o 12.57784 3.302725  1.774621       1.124056  2.141669       1.499280  1.303478       1.698628  1.607609       6.605450  
1 1 1 22 3  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 3  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 4  0  o 43.02803 1.335219  18.88932       1.126796  20.75259       1.521072  16.62327       1.677440  0.000000       0.000000  
1 1 1 22 4  1  o 141.2896 1.359955  200.1642       3.811263  197.0491       5.748512  202.6074       5.091055  -1.983322      2.719910  
1 1 1 22 4  2  o 145.8611 1.292517  212.6788       3.767019  218.8174       5.472748  207.1517       5.192993  3.992096       2.585034  
1 1 1 22 4  3  o 55.01423 1.037110  29.25375       1.105868  26.42707       1.376275  34.40413       1.857745  -7.239994      2.074220  
1 1 1 22 4  4  o 92.99588 0.9814944 86.68576       1.813277  85.19746       2.714096  87.88564       2.436954  -1.451546      1.962989  
1 1 1 22 4  5  o 80.59154 0.9765158 64.95402       1.573202  63.78557       2.183945  66.21430       2.268131  -1.504730      1.953032  
1 1 1 22 4  6  o 96.92120 1.460543  92.76944       2.207602  96.18658       5.149525  92.00002       2.443533  2.064857       2.921087  
1 1 1 22 4  7  o 87.86725 1.242704  74.79266       2.143530  91.07893       3.460394  64.65244       2.730476  15.01240       2.485409  
1 1 1 22 4  8  o 145.3539 2.655576  0.000000       0.000000  ?              ?         211.9589       7.719964  ?              ?         
1 1 1 22 4  9  o 139.8396 1.806654  196.0898       5.049016  193.7100       6.987894  198.6894       7.303321  -1.760162      3.613308  
1 1 1 22 4  10 o 40.62052 1.479073  16.58145       1.184673  16.74401       1.554769  16.35643       1.829261  0.4966469      2.958146  
1 1 1 22 4  11 o 32.25529 2.962928  10.51944       1.823663  10.39419       2.257645  10.75462       3.093607  -0.3980026     5.925857  
1 1 1 22 4  12 o 14.08188 3.080576  1.700476       1.017391  0.6093051      1.314455  3.330966       1.606787  -7.173614      6.161152  
1 1 1 22 4  13 o 28.69522 1.854829  8.150318       1.045062  7.463505       1.334620  9.238919       1.680246  -3.019228      3.709658  
1 1 1 22 4  14 o 18.19459 2.719785  3.313894       0.9810184 2.074309       1.266860  5.170553       1.550446  -8.412576      5.439570  
1 1 1 22 4  15 o 40.19838 1.540891  16.58878       1.217951  17.74058       1.618678  15.08569       1.849118  3.376472       3.081783  
1 1 1 22 4  16 o 52.83615 1.444237  27.70369       1.504581  24.54976       1.938910  32.47751       2.385419  -7.323158      2.888473  
1 1 1 22 4  17 o 28.74912 2.302945  8.994229       1.277478  10.35630       1.698503  7.220175       1.938430  5.656778       4.605890  
1 1 1 22 4  18 o 15.61853 2.992158  2.332491       1.124925  0.3029220      1.473864  5.164739       1.741090  -11.37788      5.984316  
1 1 1 22 4  19 o 12.71498 3.851554  0.7186195      1.938065  2.878836       2.552482  -2.222222      2.978172  4.637649       7.703107  
1 1 1 22 4  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 4  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 5  0  o 30.52932 1.997707  9.380138       1.070589  9.158796       1.252534  9.980343       2.062562  0.000000       0.000000  
1 1 1 22 5  1  o 66.97010 0.8676996 44.84626       1.142704  44.98567       1.788553  44.75010       1.485398  0.1709747      1.735399  
1 1 1 22 5  2  o 27.20437 1.165498  7.416118       0.6289880 8.686200       0.9047675 6.228167       0.8750246 4.517056       2.330997  
1 1 1 22 5  3  o 214.2014 1.905086  460.4704       7.917631  456.9892       12.83933  462.6065       10.05769  -1.419708      3.810172  
1 1 1 22 5  4  o 62.21916 0.8307782 38.93951       1.027513  36.30674       1.506104  41.23187       1.405367  -3.959873      1.661556  
1 1 1 22 5  5  o 179.7321 1.695559  322.6573       6.007990  329.7907       9.364328  317.6668       7.832551  3.307373       3.391118  
1 1 1 22 5  6  o 80.22913 1.133736  0.000000       0.000000  ?              ?         64.39701       1.819173  ?              ?         
1 1 1 22 5  7  o 68.85741 1.339317  44.51339       1.526294  52.86362       3.391382  42.39251       1.709170  7.540855       2.678634  
1 1 1 22 5  8  o 29.53805 1.299933  9.020557       0.7434389 6.915291       1.102857  10.77402       1.006500  -6.535772      2.599866  
1 1 1 22 5  9  o 16.22697 3.095905  2.565912       1.042886  1.688774       1.348431  3.871565       1.645163  -5.957007      6.191809  
1 1 1 22 5  10 o 58.55923 1.298451  34.55233       1.512767  37.05828       2.089397  31.79141       2.193121  4.503849       2.596902  
1 1 1 22 5  11 o 111.4612 2.265592  125.5499       5.041979  127.6966       6.967475  123.1899       7.305393  2.072472       4.531184  
1 1 1 22 5  12 o 32.28193 1.674979  10.23238       1.034433  9.626462       1.271306  11.41949       1.779466  -2.693178      3.349958  
1 1 1 22 5  13 o 25.64474 1.985661  6.472638       0.9998300 5.712434       1.274146  7.690911       1.612971  -3.776678      3.971322  
1 1 1 22 5  14 o 25.31516 1.935452  6.692738       0.9492732 7.363411       1.241076  5.747174       1.473630  3.272816       3.870903  
1 1 1 22 5  15 o 18.16989 2.957654  3.531448       1.017507  3.364892       1.262758  3.839794       1.718143  -0.9730453     5.915307  
1 1 1 22 5  16 o 28.67014 2.126360  8.513000       1.189338  8.499982       1.524430  8.533253       1.901271  0.1669941      4.252720  
1 1 1 22 5  17 o 9.224195 2.933705  -0.4712000     1.117983  -0.5581211     1.459780  -0.3478942     1.738668  -1.106957      5.867411  
1 1 1 22 5  18 o 9.792883 2.916866  -0.4939989     1.079896  -2.058242      1.426984  1.602496       1.652015  -5.770751      5.833731  
1 1 1 22 5  19 o 15.19721 4.322384  2.651927       2.017704  1.335425       2.615744  4.586129       3.170557  -4.578264      8.644769  
1 1 1 22 5  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 5  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 6  0  o 123.0697 1.973539  151.6806       4.571912  151.3392       5.594476  152.3673       7.932839  0.000000       0.000000  
1 1 1 22 6  1  o 70.00064 1.001292  49.23322       1.322424  48.40403       2.277826  49.65481       1.624172  -0.9057312     2.002584  
1 1 1 22 6  2  o 52.73213 0.7932285 26.93732       0.8064266 31.06049       1.370097  24.75172       0.9975207 5.976044       1.586457  
1 1 1 22 6  3  o 117.2825 1.113027  135.1992       2.475533  145.2914       4.309324  130.2284       3.024354  6.390968       2.226054  
1 1 1 22 6  4  o 211.2475 1.967585  448.7150       8.272605  433.2534       12.19544  461.8933       11.25905  -6.824112      3.935170  
1 1 1 22 6  5  o 122.9771 1.433599  151.5162       3.510881  133.5751       4.899356  170.4542       5.033637  -14.98946      2.867198  
1 1 1 22 6  6  o 31.73566 1.177094  9.284362       0.6617159 11.82932       1.346706  8.474361       0.7597570 5.267960       2.354189  
1 1 1 22 6  7  o 91.60075 1.264419  83.38425       2.304810  90.23087       3.478547  78.02634       3.077212  6.647003       2.528837  
1 1 1 22 6  8  f 86.68354 1.133633  74.73154       1.928661  77.76836       3.062739  72.73599       2.482751  2.880981       2.267266  
1 1 1 22 6  9  o 47.73455 0.9246433 22.86519       0.8786417 23.49200       1.196142  22.13062       1.294899  1.429359       1.849287  
1 1 1 22 6  10 o 22.95914 2.410169  5.175158       1.089403  4.539415       1.397931  6.158328       1.738439  -3.481379      4.820337  
1 1 1 22 6  11 o 18.09398 4.166747  2.948680       1.659673  2.181936       2.017610  4.553262       2.918722  -5.514758      8.333493  
1 1 1 22 6  12 o 21.32506 2.856585  4.797613       1.173423  5.043328       1.668294  4.557028       1.650786  1.137314       5.713170  
1 1 1 22 6  13 o 73.48112 1.300102  53.74344       1.880716  51.25791       2.428825  57.46538       2.972148  -4.135994      2.600204  
1 1 1 22 6  14 o 25.75694 1.971025  6.944565       0.9623665 7.396613       1.208991  6.162758       1.589937  2.529549       3.942050  
1 1 1 22 6  15 o 20.78682 2.686085  4.628882       1.030674  4.732761       1.273782  4.431911       1.754011  1.375313       5.372169  
1 1 1 22 6  16 o 15.00373 3.084618  1.997362       1.051275  0.6909826      1.316423  4.297145       1.746644  -9.149950      6.169235  
1 1 1 22 6  17 o 9.212172 2.889570  -0.2106753     0.9925175 -0.2730974     1.202570  -0.7731244E-01 1.757756  -1.981350      5.779140  
1 1 1 22 6  18 o 13.52538 3.331955  2.041888       1.098955  1.876020       1.449386  2.266203       1.685518  -1.048655      6.663911  
1 1 1 22 6  19 o 12.79226 3.923788  0.7958219      1.971178  -1.228719      2.769305  2.874959       2.806397  -4.324426      7.847575  
1 1 1 22 6  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 6  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 7  0  o 35.92073 1.831912  12.91192       1.195775  12.61125       1.425513  13.62583       2.196582  0.000000       0.000000  
1 1 1 22 7  1  o 55.41890 0.8870751 29.15694       0.9128916 34.94045       1.692207  26.78287       1.084187  7.349300       1.774150  
1 1 1 22 7  2  o 171.1625 1.541880  294.3983       5.136590  288.8554       8.237689  297.9245       6.570331  -2.701996      3.083760  
1 1 1 22 7  3  o 108.4760 1.041285  117.8174       2.188619  117.4936       3.566151  118.0130       2.772075  -0.2582397     2.082569  
1 1 1 22 7  4  f 71.95608 0.8641322 51.69625       1.232068  52.58495       1.881890  51.02958       1.629955  1.075302       1.728264  
1 1 1 22 7  5  o 37.91335 0.9593588 13.77137       0.7107717 18.66416       1.139989  10.65973       0.9091111 10.55068       1.918718  
1 1 1 22 7  6  o 153.6346 1.403690  236.9622       4.186994  233.9486       6.769526  238.8294       5.328455  -1.641388      2.807379  
1 1 1 22 7  7  o 151.6778 2.193780  225.8690       5.648161  221.4478       6.431329  240.7784       11.81017  -6.028580      4.387560  
1 1 1 22 7  8  o 70.26031 1.726970  0.000000       0.000000  ?              ?         49.43502       2.426749  ?              ?         
1 1 1 22 7  9  f 43.50138 1.003491  18.71590       0.8525662 17.93902       1.083751  19.97736       1.380987  -2.331425      2.006982  
1 1 1 22 7  10 o 58.46648 1.193409  33.20781       1.186005  32.30670       1.348844  36.27853       2.489965  -3.320290      2.386819  
1 1 1 22 7  11 o 11.39085 3.242819  0.5101886      1.187620  -0.7648576     1.915115  1.306909       1.513857  -2.336835      6.485638  
1 1 1 22 7  12 o 43.62149 1.866363  19.09415       1.573328  18.73570       1.976086  19.71482       2.600309  -1.002934      3.732725  
1 1 1 22 7  13 o 51.68222 1.382307  26.58505       1.384322  25.68907       1.739723  28.13152       2.285596  -2.266632      2.764614  
1 1 1 22 7  14 o 36.70051 1.585842  13.08926       1.099501  12.05912       1.328094  15.33342       1.960221  -4.277733      3.171685  
1 1 1 22 7  15 o 15.01704 3.145529  1.962903       0.9722965 1.197282       1.150216  3.879528       1.819873  -7.360559      6.291057  
1 1 1 22 7  16 o 18.45193 3.030611  3.966821       1.096403  4.598832       1.362184  2.804161       1.847568  5.094419       6.061222  
1 1 1 22 7  17 o 31.23133 1.844233  9.614007       1.112311  8.371737       1.373039  11.98589       1.897237  -5.434828      3.688465  
1 1 1 22 7  18 o 14.65835 3.340785  2.555920       1.096831  2.551318       1.392718  2.563434       1.779835  0.3333092E-01  6.681570  
1 1 1 22 7  19 o 11.88046 3.779636  0.4121621      1.900254  1.141426       2.661281  -0.3464096     2.714231  1.394221       7.559272  
1 1 1 22 7  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 7  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 8  0  o 27.41118 2.095292  7.649339       1.135414  7.649339       1.135414  7.649339       1.135414  0.000000       0.000000  
1 1 1 22 8  1  o 82.15282 0.8805937 66.01554       1.375491  72.30247       2.390735  62.90471       1.681708  5.706795       1.761187  
1 1 1 22 8  2  o 21.34705 1.302935  4.213478       0.5343907 6.265792       0.9084642 3.127596       0.6608105 7.343323       2.605871  
1 1 1 22 8  3  o 88.77795 0.9107095 79.31564       1.577369  76.73654       2.503916  81.01260       2.031051  -2.418678      1.821419  
1 1 1 22 8  4  o 90.66953 1.109904  80.84416       1.888715  86.40530       3.353499  78.26065       2.285706  4.461723       2.219809  
1 1 1 22 8  5  o 153.3011 1.466837  233.6404       4.410472  244.0272       7.023633  226.8782       5.667125  5.543091       2.933673  
1 1 1 22 8  6  o 56.46918 0.9403098 32.73372       1.005964  29.19497       1.671445  34.74358       1.259648  -4.923195      1.880620  
1 1 1 22 8  7  o 129.7151 1.918093  168.5321       4.976113  168.5321       4.976113  ?              ?         ?              ?         
1 1 1 22 8  8  o 40.08411 1.201166  14.47361       0.9013872 11.81284       1.068820  21.02716       1.677411  -11.46863      2.402332  
1 1 1 22 8  9  o 12.92225 2.756475  1.654632       0.8154987 0.8532458      1.177663  2.392944       1.130368  -4.377257      5.512950  
1 1 1 22 8  10 o 21.33247 1.623446  4.301897       0.6669403 3.634640       0.8188692 5.616706       1.149476  -4.612350      3.246891  
1 1 1 22 8  11 f 52.64291 0.8926655 27.67267       0.9156137 27.37014       1.166611  28.15796       1.477542  -0.7262459     1.785331  
1 1 1 22 8  12 o 14.95616 3.512900  2.232254       1.189900  2.387949       1.445837  1.905469       2.094654  0.3012171      7.025800  
1 1 1 22 8  13 o 50.36493 1.357571  24.91624       1.310408  23.48317       1.614524  27.68270       2.243232  -4.058460      2.715143  
1 1 1 22 8  14 o 11.41242 3.051345  0.6444420      0.9197720 0.5634679E-01  1.097927  2.028501       1.684328  -5.683838      6.102690  
1 1 1 22 8  15 o 28.24367 2.088919  7.972569       1.073966  7.672906       1.267778  8.734110       2.021036  -1.538799      4.177839  
1 1 1 22 8  16 o 20.42270 2.734712  4.316806       1.037655  3.740092       1.277924  5.432924       1.777785  -3.652214      5.469425  
1 1 1 22 8  17 o 17.82562 3.081783  2.872530       1.106592  1.371575       1.324127  6.348523       2.015048  -11.88108      6.163565  
1 1 1 22 8  18 o 11.67176 3.096668  0.8152035      1.066083  -0.4631435     1.373641  2.751464       1.690560  -6.678531      6.193336  
1 1 1 22 8  19 o 14.14516 4.079017  2.263542       1.903983  3.936659       2.726495  0.6710247      2.660012  4.321144       8.158034  
1 1 1 22 8  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 9  0  o 100.2394 1.557524  100.5899       3.120821  100.5899       3.120821  100.5899       3.120821  0.000000       0.000000  
1 1 1 22 9  1  o 80.37763 0.9025400 64.20250       1.422190  66.79509       2.266299  62.51826       1.826632  2.651627       1.805080  
1 1 1 22 9  2  o 52.38885 0.9484028 27.08316       0.9460497 28.68673       1.627756  26.26518       1.162564  2.300720       1.896806  
1 1 1 22 9  3  o 56.44160 0.8583047 31.74674       0.9653875 33.29759       1.439806  30.48008       1.301217  2.492962       1.716609  
1 1 1 22 9  4  o 93.75728 1.040119  87.53722       1.945544  81.12513       2.645017  95.09588       2.871779  -7.444557      2.080239  
1 1 1 22 9  5  o 47.29410 0.8462281 22.63664       0.7835264 21.01000       1.216169  23.79091       1.024474  -2.944141      1.692456  
1 1 1 22 9  6  o 85.22372 0.9563382 72.80733       1.626560  70.38852       2.354563  75.01537       2.249630  -2.717339      1.912676  
1 1 1 22 9  7  o 119.9344 1.259525  143.7088       3.017474  136.9658       4.144901  151.3119       4.401342  -5.970444      2.519050  
1 1 1 22 9  8  o 77.76648 1.238728  58.92680       1.753143  56.74828       2.066913  64.51299       3.309783  -4.939613      2.477456  
1 1 1 22 9  9  o 85.09735 1.060222  72.67408       1.800155  75.67268       2.496064  69.42396       2.598640  3.676193       2.120445  
1 1 1 22 9  10 o 26.31719 1.503485  6.779011       0.7567241 6.388251       0.9298070 7.545556       1.302285  -2.162655      3.006970  
1 1 1 22 9  11 o 28.07889 1.577285  7.898951       0.8836216 8.689816       1.294841  7.209646       1.208846  2.623940       3.154570  
1 1 1 22 9  12 o 15.55832 2.489868  2.551913       0.7994848 1.392192       1.131324  3.708843       1.129961  -7.152254      4.979737  
1 1 1 22 9  13 o 19.44962 1.835369  3.656662       0.6975333 4.820098       1.137031  2.954590       0.8832678 4.734158       3.670739  
1 1 1 22 9  14 o 27.24504 2.014112  7.470135       1.006730  7.295919       1.198771  7.887017       1.854381  -0.8334255     4.028224  
1 1 1 22 9  15 o 14.16429 4.097003  0.7297990      1.567039  0.1423153      1.768985  2.871168       3.377317  -6.784076      8.194007  
1 1 1 22 9  16 o 17.31220 3.211992  3.352415       1.084123  3.380308       1.324413  3.295768       1.887374  0.4798031      6.423983  
1 1 1 22 9  17 o 16.52320 3.106930  2.798362       0.9989475 2.133331       1.204599  4.262805       1.787548  -5.373929      6.213860  
1 1 1 22 9  18 o 32.58309 1.922993  11.32784       1.238871  11.64932       1.650602  10.91310       1.874788  1.386272       3.845986  
1 1 1 22 9  19 o 15.55140 3.993192  3.127025       1.823729  0.5864356      2.638777  5.450260       2.523376  -7.415824      7.986383  
1 1 1 22 9  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 10 0  o 50.05656 1.273717  24.86220       1.086928  25.75648       2.231719  24.58411       1.244504  0.000000       0.000000  
1 1 1 22 10 1  o 38.07987 0.9265045 14.39070       0.6922826 15.10595       1.102193  13.92469       0.8896675 1.546276       1.853009  
1 1 1 22 10 2  o 74.32520 0.7977727 55.27119       1.185786  54.46201       1.677978  56.07837       1.675932  -1.087395      1.595545  
1 1 1 22 10 3  o 28.65757 0.9885929 8.197128       0.5653999 8.527460       0.8329325 7.914851       0.7699668 1.067272       1.977186  
1 1 1 22 10 4  o 33.50869 0.9674223 11.40165       0.6241097 10.59541       1.013042  11.89485       0.7923316 -1.944252      1.934845  
1 1 1 22 10 5  o 125.2888 1.418518  154.9373       3.306609  163.3643       5.951021  151.1737       3.977040  4.792114       2.837037  
1 1 1 22 10 6  o 62.52638 1.044060  39.20058       1.302967  37.73256       1.881115  40.55444       1.806498  -2.258835      2.088120  
1 1 1 22 10 7  o 122.8006 1.294625  149.4917       3.153571  162.7395       4.847184  139.7686       4.152594  9.323318       2.589250  
1 1 1 22 10 8  o 69.35359 1.033645  47.90458       1.416206  46.63881       1.851833  49.68779       2.197997  -2.185387      2.067289  
1 1 1 22 10 9  o 14.14329 3.008293  2.070896       0.8026235 2.197113       0.8868374 1.499407       1.887078  0.7009020      6.016585  
1 1 1 22 10 10 o 16.92482 2.250513  2.989446       0.6943017 3.067259       0.8440177 2.826580       1.221075  1.083570       4.501026  
1 1 1 22 10 11 o 65.33569 0.9884934 42.34670       1.265287  40.67298       1.618708  44.97558       2.028682  -3.255226      1.976987  
1 1 1 22 10 12 o 17.72991 1.793754  2.934421       0.5726446 2.659608       0.6636369 3.735519       1.133065  -2.944818      3.587509  
1 1 1 22 10 13 o 27.39652 1.574032  7.589097       0.8612798 7.964233       1.210356  7.204289       1.225859  1.390360       3.148064  
1 1 1 22 10 14 o 10.34491 2.748344  0.8629853      0.7738948 0.9767035      1.074180  0.7402576      1.115918  0.5054531      5.496689  
1 1 1 22 10 15 o 11.14865 2.834744  1.203637       0.7209184 0.2383885E-01  1.825302  1.421691       0.7847167 -0.8160353     5.669487  
1 1 1 22 10 16 o 9.588176 2.711119  0.4314139      0.6907637 1.065051       1.413772  0.2327131      0.7916971 3.726511       5.422238  
1 1 1 22 10 17 o 15.23812 2.186927  1.946576       0.5208220 3.656419       1.282085  1.608646       0.5699703 5.892962       4.373855  
1 1 1 22 10 18 o 9.831707 2.600703  0.9279400      0.7094991 0.7365489E-01  1.303915  1.287261       0.8456476 -1.900734      5.201406  
1 1 1 22 10 19 o 15.48027 3.858509  2.479090       1.928448  6.393682       2.648280  -1.939832      2.813707  10.81020       7.717018  
1 1 1 22 10 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 11 0  o 124.3627 1.837274  155.0477       3.978970  155.0490       7.875364  155.0473       4.610747  0.000000       0.000000  
1 1 1 22 11 1  o 93.95741 1.144536  87.84219       1.995896  86.98065       2.403602  89.75556       3.581998  -1.443222      2.289072  
1 1 1 22 11 2  o 21.21833 1.289653  4.506339       0.5470784 4.683556       0.7801384 4.334866       0.7673907 0.8212566      2.579307  
1 1 1 22 11 3  o 87.01140 0.9356001 75.75774       1.612376  75.75046       2.457151  75.76325       2.136759  -0.1485443E-01 1.871200  
1 1 1 22 11 4  o 88.24181 0.8805260 77.91038       1.553800  77.87470       2.214276  77.94499       2.180913  -0.4058075E-01 1.761052  
1 1 1 22 11 5  o 110.0816 1.112006  121.1410       2.414693  122.2270       3.744989  120.3682       3.159069  0.8264771      2.224012  
1 1 1 22 11 6  o 67.82218 0.9780707 46.66480       1.234450  44.29976       2.163378  47.80663       1.503191  -2.604752      1.956141  
1 1 1 22 11 7  o 83.36382 1.405423  68.76777       2.032115  67.92111       2.341342  71.35299       4.091308  -1.978149      2.810846  
1 1 1 22 11 8  o 98.80960 1.162678  97.69493       2.290323  96.82065       3.110336  98.73051       3.385089  -0.9544678     2.325357  
1 1 1 22 11 9  o 70.75705 1.033274  49.99318       1.442109  49.25046       1.882705  51.04760       2.243245  -1.250450      2.066547  
1 1 1 22 11 10 o 53.42374 1.199155  27.97612       1.139664  27.24662       1.327234  30.02383       2.223655  -2.529705      2.398311  
1 1 1 22 11 11 o 28.65783 1.841592  7.760962       0.8166508 7.476614       0.8964961 9.147329       1.979532  -2.729338      3.683185  
1 1 1 22 11 12 f 14.51440 2.849735  2.120578       0.6573806 2.127106       0.7044209 2.076535       1.829605  -0.4317894     5.699469  
1 1 1 22 11 13 o 10.31585 2.731513  0.7209294      0.8055481 1.404067       1.125268  0.2836370E-02  1.153698  3.242320       5.463026  
1 1 1 22 11 14 o 38.36333 1.186306  14.84392       0.9087368 14.84457       1.323215  14.84334       1.250188  -0.1710892E-01 2.372613  
1 1 1 22 11 15 o 27.05185 2.233432  7.900141       0.9896187 6.964171       2.055612  8.182513       1.129072  -2.721457      4.466865  
1 1 1 22 11 16 o 34.33162 1.453242  11.16245       0.8988855 13.95929       1.770052  10.19052       1.043448  5.176649       2.906483  
1 1 1 22 11 17 o 10.52971 2.599763  1.043535       0.6415683 1.366474       1.127807  0.8890319      0.7800871 2.001551       5.199527  
1 1 1 22 11 18 o 42.55566 2.535500  0.000000       0.000000  ?              ?         19.19111       2.157997  ?              ?         
1 1 1 22 11 19 o 7.239836 2.235703  -0.3781762     0.4411097 1.049653       1.180119  -0.6100624     0.4755818 6.121775       4.471405  
1 1 1 22 11 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 12 0  o 130.4623 1.930519  168.3095       4.305471  175.1931       8.846934  166.1732       4.928481  0.000000       0.000000  
1 1 1 22 12 1  o 48.06960 0.8719813 22.96722       0.8275799 22.21416       1.079088  24.04276       1.289595  -1.897411      1.743963  
1 1 1 22 12 2  o 132.8683 1.304531  174.7213       3.386075  167.7527       4.307590  185.9909       5.477887  -6.825027      2.609063  
1 1 1 22 12 3  o 193.8862 1.686582  376.6773       6.540033  374.9125       9.224287  378.4612       9.273920  -0.9130096     3.373164  
1 1 1 22 12 4  o 94.52256 1.057292  88.80938       1.990983  82.64204       2.675351  96.46476       2.980684  -7.303329      2.114584  
1 1 1 22 12 5  o 71.24173 0.8890532 50.47780       1.245300  52.43065       1.965749  49.16872       1.609448  2.280243       1.778106  
1 1 1 22 12 6  o 116.0529 1.169696  134.8330       2.684693  134.9666       4.116124  134.7341       3.541746  0.7861328E-01  2.339393  
1 1 1 22 12 7  o 71.73322 1.274875  52.80676       1.522629  53.87757       1.736663  49.24802       3.165964  3.286293       2.549751  
1 1 1 22 12 8  o 80.73593 0.8666649 64.61798       1.391764  71.28855       2.107291  59.45718       1.853540  7.318336       1.733330  
1 1 1 22 12 9  o 63.91705 1.028672  41.07407       1.307330  42.49958       1.774596  39.38226       1.933265  2.448193       2.057345  
1 1 1 22 12 10 o 38.89093 1.495749  14.94956       1.087497  14.52582       1.312570  15.87726       1.942126  -1.670811      2.991498  
1 1 1 22 12 11 o 94.48787 1.251159  89.67480       2.357097  89.71989       3.472564  89.63629       3.209797  0.1112366E-01  2.502318  
1 1 1 22 12 12 o 42.50003 1.037601  17.42569       0.8216447 16.30329       0.9815826 20.05303       1.501793  -4.346870      2.075202  
1 1 1 22 12 13 o 13.60725 2.301088  1.634035       0.5295918 1.359842       0.5931966 2.710876       1.175563  -4.539205      4.602176  
1 1 1 22 12 14 o 11.83366 2.847088  1.364861       0.8090652 1.127711       1.112325  1.631277       1.178963  -1.510458      5.694175  
1 1 1 22 12 15 o 22.76056 1.640497  5.449379       0.7207019 6.184553       0.9491945 4.448595       1.107465  3.879744       3.280995  
1 1 1 22 12 16 o 15.08044 2.259981  2.405804       0.6533282 2.084448       0.8481280 2.874776       1.024571  -2.433982      4.519962  
1 1 1 22 12 17 o 9.264634 2.413056  0.7016064      0.6180398 1.153669       0.8508261 0.1966062      0.8992644 2.551995       4.826112  
1 1 1 22 12 18 o 8.197822 2.391909  0.3428191      0.6346902 0.5999037      0.9522718 0.1373352      0.8513572 1.387671       4.783819  
1 1 1 22 12 19 o 17.71854 3.935081  3.832030       1.357801  3.832030       1.357801  ?              ?         ?              ?         
1 1 1 22 12 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 13 0  o 8.144180 3.436018  0.7494034      0.9503304 0.5935500      1.566563  0.8401554      1.195413  0.000000       0.000000  
1 1 1 22 13 1  o 69.59929 0.8149751 48.46098       1.134404  48.84558       1.611167  48.08288       1.597500  0.5476456      1.629950  
1 1 1 22 13 2  f 46.26762 0.9774192 21.26992       0.9009505 19.70696       1.210943  23.20778       1.348382  -3.779823      1.954838  
1 1 1 22 13 3  o 98.91859 0.9701765 97.69690       1.916653  93.94579       2.626455  101.9702       2.803291  -4.051575      1.940353  
1 1 1 22 13 4  o 49.03255 0.8365871 24.05320       0.8202839 24.62385       1.165432  23.49296       1.154755  1.152954       1.673174  
1 1 1 22 13 5  o 40.88060 0.9864077 16.75662       0.8012025 16.45059       1.198091  17.00420       1.077605  -0.6807251     1.972815  
1 1 1 22 13 6  o 47.33842 1.052863  22.38468       0.9925985 21.93629       1.337473  22.93444       1.480961  -1.049267      2.105726  
1 1 1 22 13 7  o 111.9615 1.156491  124.5724       2.531874  121.1706       3.234780  129.9522       4.067954  -3.887520      2.312981  
1 1 1 22 13 8  o 86.44955 0.8943307 74.81055       1.546289  74.73198       2.185448  74.88933       2.188120  -0.9089661E-01 1.788661  
1 1 1 22 13 9  o 57.88380 1.086976  32.57386       1.107702  31.52223       1.280543  35.69980       2.207770  -3.544895      2.173951  
1 1 1 22 13 10 o 30.91968 1.577115  10.13227       0.8514556 10.76170       1.004951  8.530851       1.602960  3.680960       3.154229  
1 1 1 22 13 11 o 86.21056 1.274086  74.75521       2.192534  76.04388       3.023665  73.32629       3.183966  1.597450       2.548172  
1 1 1 22 13 12 o 66.13676 1.018679  42.64030       1.185497  41.31419       1.370553  46.58040       2.362438  -3.854134      2.037359  
1 1 1 22 13 13 o 37.01510 1.103361  12.82351       0.6771823 12.13159       0.7581073 15.55528       1.506347  -4.476379      2.206722  
1 1 1 22 13 14 o 36.52675 1.212478  13.61044       0.8535017 14.06255       1.082370  12.86708       1.387871  1.713425       2.424956  
1 1 1 22 13 15 f 30.21943 1.339935  9.296210       0.7913503 9.427313       1.020775  9.098731       1.252808  0.6304893      2.679870  
1 1 1 22 13 16 o 12.95167 2.539807  1.844102       0.6767398 1.807576       0.8976822 1.892191       1.030016  -0.2623348     5.079614  
1 1 1 22 13 17 o 13.61283 2.339925  2.001204       0.6279634 1.708586       0.8284284 2.396437       0.9627885 -2.287842      4.679849  
1 1 1 22 13 18 o 10.06526 2.536112  1.050334       0.6447785 0.9391953      0.8897474 1.173249       0.9356960 -0.7609911     5.072224  
1 1 1 22 13 19 o 11.46163 5.173178  0.6832710      2.515650  0.6832710      2.515650  ?              ?         ?              ?         
1 1 1 22 13 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 14 0  o 100.3580 1.691660  102.0139       3.275313  96.91666       5.305009  105.1537       4.163625  0.000000       0.000000  
1 1 1 22 14 1  o 67.54533 0.8979791 45.05595       1.189148  48.56513       1.907767  42.82624       1.520713  4.239243       1.795958  
1 1 1 22 14 2  o 55.23413 0.9028575 30.64298       0.9813292 31.20463       1.284567  29.85581       1.520756  1.226563       1.805715  
1 1 1 22 14 3  o 21.83955 1.669153  4.842668       0.6963808 5.003200       0.8728973 4.561627       1.154961  1.023611       3.338306  
1 1 1 22 14 4  o 74.87727 0.8519969 55.95316       1.274007  53.44652       1.744538  58.81767       1.864917  -3.583611      1.703994  
1 1 1 22 14 5  o 11.59067 2.669350  1.326856       0.7291308 0.6499450      1.222438  1.700657       0.9084095 -2.407561      5.338701  
1 1 1 22 14 6  f 48.84911 0.8892625 23.96655       0.8655950 25.36935       1.198432  22.43660       1.251568  3.003452       1.778525  
1 1 1 22 14 7  o 29.43025 1.231749  8.894511       0.7069173 10.30899       0.9552662 7.182158       1.051048  5.316654       2.463497  
1 1 1 22 14 8  o 17.70063 2.088983  3.458129       0.6686898 4.100723       0.8508422 2.420023       1.081437  5.034755       4.177967  
1 1 1 22 14 9  o 54.70174 0.8227661 30.00193       0.8988599 31.14439       1.255070  28.79887       1.287926  2.145683       1.645532  
1 1 1 22 14 10 o 64.56358 1.151802  41.75638       1.487290  41.75638       1.487290  ?              ?         ?              ?         
1 1 1 22 14 11 o 78.60311 1.150533  61.89032       1.743916  61.51027       2.189644  62.54955       2.883838  -0.5774994     2.301066  
1 1 1 22 14 12 o 42.78010 1.113027  17.29957       0.7921816 16.49789       0.8892943 20.38048       1.743359  -4.415600      2.226055  
1 1 1 22 14 13 o 18.11109 2.239067  4.014645       0.5832599 4.360397       0.6491767 2.566783       1.328448  5.407849       4.478135  
1 1 1 22 14 14 o 22.59544 1.759656  5.256444       0.7549034 5.382899       0.9382470 5.024300       1.271241  0.9186764      3.519311  
1 1 1 22 14 15 o 23.81292 1.648914  5.624064       0.7674406 5.039011       0.9689516 6.608843       1.257110  -3.158850      3.297827  
1 1 1 22 14 16 o 28.51696 1.390357  8.329988       0.7726371 8.455071       0.9920674 8.137156       1.231778  0.6790695      2.780714  
1 1 1 22 14 17 o 28.35632 1.421266  8.388376       0.7921056 9.216821       1.064286  7.359639       1.185983  3.358103       2.842532  
1 1 1 22 14 18 o 11.80794 2.775797  1.508483       0.7885179 2.221859       1.179891  0.9327308      1.059987  3.700118       5.551594  
1 1 1 22 14 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 14 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 15 0  o 43.62144 1.443811  18.92883       1.114654  19.69029       2.156440  18.65121       1.302092  0.000000       0.000000  
1 1 1 22 15 1  o 136.6026 1.343713  186.5908       3.623252  185.2147       4.747355  188.5107       5.607492  -1.175446      2.687426  
1 1 1 22 15 2  o 120.8712 1.129574  146.2407       2.730467  145.9550       3.836992  146.5337       3.886407  -0.2378235     2.259149  
1 1 1 22 15 3  o 13.98538 2.443864  2.030929       0.6743972 1.957067       0.8877987 2.131697       1.036965  -0.6002226     4.887728  
1 1 1 22 15 4  o 45.38821 1.046227  20.46272       0.9453316 19.03723       1.264647  22.26792       1.423147  -3.553741      2.092454  
1 1 1 22 15 5  f 121.6622 1.140203  148.0910       2.772647  145.3572       3.840631  151.0665       4.006882  -2.340088      2.280406  
1 1 1 22 15 6  o 74.41862 0.9390700 54.91258       1.371639  52.87396       1.762137  58.04681       2.184922  -3.461533      1.878140  
1 1 1 22 15 7  o 65.60857 1.045592  42.28566       1.320656  46.04845       2.229259  40.25097       1.639284  4.392506       2.091184  
1 1 1 22 15 8  o 43.25815 0.9771542 18.91045       0.8366996 20.27233       1.132334  17.27262       1.241767  3.473518       1.954308  
1 1 1 22 15 9  o 57.21838 1.143375  32.83632       1.307892  32.08405       1.861572  33.56961       1.837932  -1.300014      2.286751  
1 1 1 22 15 10 o 55.09460 0.8796249 30.63291       0.9571340 31.95093       1.273821  28.92390       1.450510  2.762173       1.759250  
1 1 1 22 15 11 o 29.28219 1.362687  7.561658       0.6845700 6.701984       0.7702832 10.79240       1.493258  -6.876583      2.725375  
1 1 1 22 15 12 o 29.39455 1.357510  8.757419       0.6781042 8.804507       0.7774119 8.607616       1.386589  0.4505482      2.715021  
1 1 1 22 15 13 o 11.52934 2.571847  0.8536249      0.5521258 0.5160419      0.6064710 2.488040       1.334446  -7.235816      5.143693  
1 1 1 22 15 14 o 30.58523 1.613811  9.598659       0.7345430 9.644002       0.8060357 9.376532       1.784016  0.7705231      3.227623  
1 1 1 22 15 15 o 16.52369 2.418190  2.780043       0.7080814 2.556555       0.8303002 3.376003       1.355867  -1.981300      4.836380  
1 1 1 22 15 16 o 28.85418 1.405898  8.431744       0.7939923 8.197498       1.016808  8.797750       1.271005  -0.9108868     2.811796  
1 1 1 22 15 17 o 12.32712 2.463565  1.179122       0.7209010 0.5195550E-01  0.8874998 3.365238       1.235978  -9.623701      4.927129  
1 1 1 22 15 18 o 30.91111 1.689503  9.733603       1.015674  13.62963       1.603577  7.123566       1.312510  10.16357       3.379005  
1 1 1 22 15 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 15 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 16 0  o 185.7443 2.814257  349.9187       10.01186  334.5339       16.53115  358.8306       12.58180  0.000000       0.000000  
1 1 1 22 16 1  o 98.27942 1.274602  92.84315       2.354581  86.10109       2.831614  107.9517       4.238862  -11.06519      2.549204  
1 1 1 22 16 2  o 78.27203 0.9627309 60.98234       1.483579  59.50687       1.924072  63.14584       2.329888  -2.312996      1.925462  
1 1 1 22 16 3  o 34.77792 1.337708  12.66455       0.8619553 13.78465       1.066127  10.55054       1.464646  4.665672       2.675416  
1 1 1 22 16 4  o 122.9854 1.248358  151.2646       3.035007  152.8347       4.671888  150.1182       3.992122  1.076546       2.496715  
1 1 1 22 16 5  o 28.20988 1.555278  7.887671       0.8696866 7.352878       1.142028  8.625971       1.341836  -2.245790      3.110556  
1 1 1 22 16 6  o 46.83035 0.9493963 22.00924       0.8866326 22.95533       1.225703  20.97084       1.284111  2.120899       1.898793  
1 1 1 22 16 7  o 8.048036 2.434422  -0.2034426E-01 0.6866671 0.9375492E-01  0.8810842 -0.1968519     1.095867  -0.3041615     4.868845  
1 1 1 22 16 8  o 83.37788 1.229183  71.07273       2.005257  78.51917       2.669058  61.42261       3.038435  10.28151       2.458367  
1 1 1 22 16 9  o 97.46013 1.651968  95.23190       2.793072  96.28110       5.581583  94.88142       3.226042  0.4127808      3.303935  
1 1 1 22 16 10 o 72.74951 1.086770  52.57199       1.543844  55.52766       2.496480  50.74171       1.964536  3.229965       2.173541  
1 1 1 22 16 11 o 12.79457 2.600798  1.551267       0.6262560 1.376910       0.7198752 2.093880       1.269940  -2.698243      5.201596  
1 1 1 22 16 12 o 26.74930 1.451594  6.700343       0.6836746 6.175142       0.7836831 8.373172       1.398633  -3.952724      2.903187  
1 1 1 22 16 13 o 10.92605 2.673302  0.9727301      0.6032954 0.8141589      0.6761820 1.591608       1.335837  -3.502627      5.346604  
1 1 1 22 16 14 o 28.22706 1.898993  7.563329       0.7509694 7.335027       0.8065782 9.049843       2.058148  -2.493696      3.797986  
1 1 1 22 16 15 o 17.82389 2.959865  3.551122       1.024812  3.331167       1.612807  3.700071       1.327192  -1.217575      5.919730  
1 1 1 22 16 16 o 33.35327 1.425708  11.92037       0.8867761 13.22087       1.112811  9.657680       1.467836  5.534513       2.851417  
1 1 1 22 16 17 o 22.36946 1.881553  5.374790       0.8142821 5.618125       1.045485  4.999555       1.298275  1.666656       3.763106  
1 1 1 22 16 18 o 16.16477 3.001754  3.418171       1.001166  3.944395       1.247439  2.465697       1.678265  4.558094       6.003508  
1 1 1 22 16 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 17 0  o 75.58334 1.432265  57.64029       1.903319  56.58663       3.690141  58.02219       2.221639  0.000000       0.000000  
1 1 1 22 17 1  o 69.40271 0.8865973 48.19853       1.230315  48.11673       1.719427  48.28435       1.761180  -0.1196136     1.773195  
1 1 1 22 17 2  o 68.58882 0.8641575 47.03613       1.184930  48.68035       1.704473  45.49827       1.648421  2.318138       1.728315  
1 1 1 22 17 3  o 128.0545 1.374221  164.2170       3.518801  166.7259       5.038238  161.8277       4.916662  1.907059       2.748442  
1 1 1 22 17 4  f 96.06027 1.070471  91.15324       2.011569  86.83533       2.562114  98.09207       3.247913  -5.834274      2.140942  
1 1 1 22 17 5  o 14.39726 2.398082  2.055225       0.6815609 1.433787       0.8802250 2.985619       1.077030  -5.101987      4.796165  
1 1 1 22 17 6  o 48.40789 1.073082  23.15973       0.9961767 22.42761       1.234361  24.52725       1.687008  -2.148285      2.146165  
1 1 1 22 17 7  o 10.45723 2.558372  0.8168185      0.6610370 0.3395381      0.8371994 1.607009       1.077229  -4.293571      5.116744  
1 1 1 22 17 8  o 61.52102 0.9184774 38.08631       1.117690  39.21801       1.487634  36.61950       1.693630  2.124283       1.836955  
1 1 1 22 17 9  o 72.69387 1.198727  52.80473       1.737669  56.08438       2.581230  50.08657       2.349899  4.099701       2.397455  
1 1 1 22 17 10 o 24.16799 1.673283  5.834430       0.7988586 6.231715       1.246601  5.557592       1.040610  1.358341       3.346567  
1 1 1 22 17 11 o 36.01425 0.9733644 12.77513       0.6854888 11.94801       0.8700324 14.12904       1.113136  -2.997292      1.946729  
1 1 1 22 17 12 o 31.41764 1.424354  10.27332       0.8348778 10.88787       1.030174  9.097269       1.425086  2.949631       2.848709  
1 1 1 22 17 13 o 14.59356 2.521215  2.479838       0.7411818 2.999978       0.8948800 1.343516       1.322682  5.107957       5.042430  
1 1 1 22 17 14 o 46.71196 1.209784  22.27233       1.067423  22.72470       1.317457  21.40795       1.821129  1.570259       2.419568  
1 1 1 22 17 15 o 24.83997 1.770058  6.471534       0.8217825 6.717361       1.010374  5.991074       1.412526  1.691898       3.540116  
1 1 1 22 17 16 o 31.95096 1.548940  10.88640       0.9183835 11.74398       1.136227  9.270369       1.559741  4.116795       3.097880  
1 1 1 22 17 17 o 10.56291 2.707210  0.9701800      0.7366515 0.4592127      0.9223933 1.869987       1.224036  -4.163216      5.414420  
1 1 1 22 17 18 o 24.59935 2.111797  6.668187       1.010876  8.598561       1.467330  4.924358       1.394629  7.349384       4.223594  
1 1 1 22 17 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 18 0  o 11.79299 3.807864  1.752779       0.9281241 2.928186       1.694410  1.248944       1.109350  0.000000       0.000000  
1 1 1 22 18 1  o 30.99251 1.317813  9.846005       0.7966541 11.04818       1.060897  8.291609       1.206343  4.453320       2.635625  
1 1 1 22 18 2  o 64.67813 0.9902549 41.95685       1.253121  42.29044       1.616196  41.45403       1.984264  0.6586609      1.980510  
1 1 1 22 18 3  o 99.03004 1.295587  98.76173       2.541701  93.93321       3.814392  102.6178       3.408734  -4.402672      2.591174  
1 1 1 22 18 4  o 135.9230 1.353690  185.5095       3.651881  188.6682       4.895532  181.5467       5.483397  2.647873       2.707380  
1 1 1 22 18 5  o 36.13908 1.190518  13.06918       0.8593343 12.14849       1.197072  14.04812       1.234350  -2.626469      2.381037  
1 1 1 22 18 6  o 63.48320 0.9276633 40.03410       1.166825  38.18397       1.533745  42.57616       1.797818  -3.447124      1.855327  
1 1 1 22 18 7  o 56.86877 0.9500380 32.64992       1.062929  33.96170       1.399722  30.86300       1.633663  2.738728       1.900076  
1 1 1 22 18 8  o 57.43896 1.202024  33.03411       1.194950  32.97436       1.378929  33.21428       2.394497  -0.1197701     2.404047  
1 1 1 22 18 9  f 16.08205 2.479465  2.560481       0.7342439 2.239600       0.8843416 3.272538       1.317363  -2.983984      4.958929  
1 1 1 22 18 10 o 13.27025 2.836734  1.775380       0.7816584 1.685766       0.9551706 1.957066       1.360048  -1.164232      5.673469  
1 1 1 22 18 11 o 34.00675 1.063286  11.75145       0.6973593 12.16079       0.8854469 11.08278       1.131684  1.620804       2.126572  
1 1 1 22 18 12 f 18.33468 1.834172  3.063560       0.6003330 1.692769       0.7328765 5.859311       1.046633  -11.43497      3.668344  
1 1 1 22 18 13 o 22.60888 1.851365  5.071937       0.6742290 4.972656       0.7528651 5.474101       1.515260  -0.8147907     3.702730  
1 1 1 22 18 14 o 21.98298 1.705927  4.889732       0.7500270 4.889732       0.7500270 ?              ?         ?              ?         
1 1 1 22 18 15 o 29.58821 1.445345  8.845252       0.6973569 8.768944       0.7842017 9.133669       1.524585  -0.2300129     2.890689  
1 1 1 22 18 16 o 17.16404 2.451574  3.610347       0.7769653 4.443125       0.9615292 2.043549       1.318877  7.207355       4.903148  
1 1 1 22 18 17 o 11.97566 3.298546  1.181392       0.9238328 0.9068541      1.021164  2.419101       2.168220  -4.307294      6.597092  
1 1 1 22 18 18 o 11.03803 3.537835  0.3023380      1.713233  1.007441       2.165715  -0.8768153     2.800659  0.9087372      7.075670  
1 1 1 22 18 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 19 0  o 15.14451 4.125825  3.355172       1.267658  2.169387       2.215995  3.931955       1.545511  0.000000       0.000000  
1 1 1 22 19 1  o 20.62840 1.823915  4.276237       0.7509232 4.411885       1.039688  4.128307       1.085740  0.6902027      3.647829  
1 1 1 22 19 2  o 116.4063 1.217068  135.5474       2.799905  136.6900       4.312335  134.7148       3.681416  0.8219376      2.434137  
1 1 1 22 19 3  f 81.35555 1.200005  66.98660       1.813670  68.22809       2.201805  64.36639       3.198724  2.415215       2.400009  
1 1 1 22 19 4  f 64.91080 0.9986941 41.55240       1.273467  45.41790       2.034693  39.06308       1.632814  4.879398       1.997388  
1 1 1 22 19 5  o 42.00919 1.134817  17.63419       0.9488056 15.33012       1.308171  20.19151       1.378193  -5.782455      2.269634  
1 1 1 22 19 6  o 124.7123 1.459144  157.3896       3.428458  160.0480       4.214822  152.1905       5.894217  3.295586       2.918288  
1 1 1 22 19 7  o 51.64651 0.9774569 26.54918       0.9933419 25.80082       1.285601  27.65786       1.564784  -1.779881      1.954914  
1 1 1 22 19 8  o 27.07504 1.451245  7.224010       0.7690700 6.709102       0.9770354 8.062696       1.246940  -2.464243      2.902490  
1 1 1 22 19 9  o 19.32928 1.611338  3.793414       0.5194176 3.817108       0.5908607 3.712825       1.089697  0.3500481      3.222676  
1 1 1 22 19 10 o 77.74669 0.9196833 61.85568       1.370403  65.38322       1.737097  56.04198       2.230052  6.062645       1.839367  
1 1 1 22 19 11 o 43.83723 1.495981  19.22286       0.7923642 19.17087       0.8357520 19.68491       2.491586  -0.2027779     2.991962  
1 1 1 22 19 12 o 26.87672 1.331662  5.309887       0.4913357 4.713079       0.5189428 10.47560       1.526748  -10.42862      2.663324  
1 1 1 22 19 13 o 7.657948 2.323928  0.8739140E-01  0.3682957 0.4963291E-01  0.3840521 0.5194402      1.299120  -4.872921      4.647855  
1 1 1 22 19 14 o 31.90813 1.384139  10.65055       0.7799340 11.04062       0.9199058 9.653285       1.470879  2.381723       2.768278  
1 1 1 22 19 15 o 11.10405 2.721504  1.111781       0.5940513 1.050603       0.6490597 1.427501       1.474482  -2.293042      5.443008  
1 1 1 22 19 16 o 14.99155 2.439981  2.708104       0.7756300 3.816351       1.015939  1.159494       1.200938  8.096315       4.879963  
1 1 1 22 19 17 o 21.39053 2.182863  4.868336       0.9221074 4.077631       1.202434  5.997214       1.436738  -4.141918      4.365727  
1 1 1 22 19 18 o 17.74601 4.029751  0.000000       0.000000  ?              ?         3.914030       1.397942  ?              ?         
1 1 1 22 19 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 20 0  o 15.39358 3.828470  2.724361       0.9974108 4.312961       1.897392  2.117750       1.172478  0.000000       0.000000  
1 1 1 22 20 1  o 71.34652 0.9136199 50.94852       1.303605  51.49914       1.842460  50.39656       1.844694  0.7727661      1.827240  
1 1 1 22 20 2  o 67.02415 1.096235  44.82895       1.408554  45.50298       2.364130  44.45800       1.753827  0.7550049      2.192470  
1 1 1 22 20 3  o 85.85829 0.9581729 73.67610       1.643967  77.73570       2.376681  69.95187       2.276402  4.529137       1.916346  
1 1 1 22 20 4  o 86.27578 0.9686521 74.52571       1.670641  74.55149       2.327505  74.49832       2.399421  0.3398132E-01  1.937304  
1 1 1 22 20 5  o 94.52341 1.150649  89.53638       2.175221  90.29149       3.079413  88.78436       3.073051  0.7968140      2.301297  
1 1 1 22 20 6  o 32.96408 1.535033  9.878482       0.8998485 8.813034       1.032575  13.24212       1.834681  -6.637575      3.070066  
1 1 1 22 20 7  o 12.03948 2.838464  1.385472       0.7682244 1.403783       0.9308997 1.346376       1.360246  -0.5687370     5.676929  
1 1 1 22 20 8  o 40.98288 1.006760  17.01977       0.7659318 17.32946       0.9292515 16.36353       1.352682  1.219437       2.013520  
1 1 1 22 20 9  o 82.08033 0.9404582 67.51510       1.466169  67.43574       1.809100  67.66698       2.502764  -0.7226563E-01 1.880916  
1 1 1 22 20 10 o 32.41429 1.071242  10.48326       0.6134709 10.40658       0.7147800 10.69769       1.195369  -0.3834763     2.142484  
1 1 1 22 20 11 o 26.38877 1.195443  6.440317       0.5411620 5.956476       0.6124126 8.164261       1.155990  -4.065317      2.390886  
1 1 1 22 20 12 o 19.77229 2.069083  3.805770       0.5449240 3.709332       0.5843455 4.449039       1.509178  -1.157864      4.138167  
1 1 1 22 20 13 o 25.98302 1.204049  6.856666       0.5482473 6.895401       0.6382508 6.747638       1.070791  0.4123611      2.408097  
1 1 1 22 20 14 o 10.48539 2.077140  1.244383       0.4319842 1.397102       0.4959266 0.7640593      0.8795045 2.063543       4.154280  
1 1 1 22 20 15 o 9.463459 2.163050  0.6681749      0.5299160 -0.6672057E-01 0.6958133 1.683034       0.8176787 -5.841958      4.326099  
1 1 1 22 20 16 o 22.07605 2.014751  5.227628       0.8444898 5.281044       1.048596  5.129036       1.424587  0.7884808      4.029502  
1 1 1 22 20 17 o 10.95372 3.047723  1.178328       0.9867189 1.431987       1.319662  0.8567121      1.485955  0.9495134      6.095445  
1 1 1 22 20 18 o 21.89527 3.554063  0.000000       0.000000  ?              ?         5.612557       1.556343  ?              ?         
1 1 1 22 20 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22 21 0  o 66.77086 1.491940  44.52134       1.773986  45.32809       3.397634  44.21898       2.080019  0.000000       0.000000  
1 1 1 22 21 1  o 37.58545 1.228112  13.92385       0.9129809 15.66385       1.425904  12.71488       1.188560  3.911293       2.456225  
1 1 1 22 21 2  o 59.41048 0.9178044 35.26478       1.088266  34.35985       1.484138  36.31720       1.600524  -1.642773      1.835609  
1 1 1 22 21 3  o 34.29417 1.300732  11.77967       0.8863826 11.85569       1.333388  11.71949       1.186499  0.1895714      2.601464  
1 1 1 22 21 4  o 31.20414 1.494454  10.07045       0.8888503 10.92098       1.129150  8.684724       1.441264  3.608820       2.988909  
1 1 1 22 21 5  o 31.39057 1.431220  9.721833       0.8863283 7.731325       1.178388  12.31494       1.344983  -7.285549      2.862439  
1 1 1 22 21 6  o 9.825535 2.685792  0.4339049      0.7451748 0.3317600E-02  0.9288543 1.211501       1.248228  -3.881213      5.371584  
1 1 1 22 21 7  o 30.08472 1.406697  8.982121       0.6777934 8.905601       0.7566913 9.292734       1.524528  -0.5479069     2.813394  
1 1 1 22 21 8  o 73.38368 0.9521911 54.61444       1.376305  58.33862       1.834516  49.81954       2.081591  5.828880       1.904382  
1 1 1 22 21 9  o 14.59387 2.215793  2.226868       0.5967814 2.264578       0.7183198 2.142843       1.072252  0.7635899      4.431587  
1 1 1 22 21 10 f 31.70621 1.100758  10.16436       0.6093820 10.22727       0.7079067 9.984356       1.197437  0.4628086      2.201517  
1 1 1 22 21 11 o 33.85907 1.063997  11.21508       0.6094813 10.94458       0.6923379 12.14664       1.284812  -1.654243      2.127994  
1 1 1 22 21 12 o 17.80373 1.689475  3.136240       0.5170695 3.053712       0.5917365 3.402750       1.063372  -0.8119068     3.378949  
1 1 1 22 21 13 o 7.665573 2.211707  0.3191499      0.4871158 0.4553226      0.5521171 -0.1591709     1.034775  -0.3862605     4.423415  
1 1 1 22 21 14 o 17.76641 2.318978  3.498951       0.5189773 3.536694       0.5533585 3.223223       1.495648  1.871151       4.637957  
1 1 1 22 21 15 o 40.64156 0.9217402 16.83482       0.7368307 17.72128       0.9740762 15.64912       1.126545  2.602940       1.843480  
1 1 1 22 21 16 o 25.90376 1.210243  6.899867       0.6193813 6.945540       0.8170725 6.838166       0.9496844 0.3118858      2.420485  
1 1 1 22 21 17 o 14.88686 3.104315  2.730432       1.007729  2.003008       1.365034  3.601759       1.493964  -4.139879      6.208630  
1 1 1 22 21 18 o 10.91324 4.342177  0.000000       0.000000  ?              ?         1.313224       1.417544  ?              ?         
1 1 1 22 22 0  o 41.29296 1.826850  17.16990       1.502367  17.16990       1.502367  17.16990       1.502367  0.000000       0.000000  
1 1 1 22 22 1  o 62.95729 0.9948805 39.74380       1.250259  38.68667       1.811209  40.70604       1.727992  -1.607761      1.989761  
1 1 1 22 22 2  o 92.97124 1.006753  86.55779       1.871767  86.06257       2.624235  87.07066       2.670529  -0.5397110     2.013507  
1 1 1 22 22 3  o 95.22781 1.089844  90.83320       2.058518  91.09882       3.120090  90.62846       2.739305  0.2224808      2.179688  
1 1 1 22 22 4  o 34.23131 1.279780  11.67659       0.8679212 11.22693       1.141963  12.29158       1.335483  -1.538982      2.559561  
1 1 1 22 22 5  o 48.86752 1.168518  23.20285       0.9762021 22.55109       1.112925  25.37734       2.032836  -2.821209      2.337036  
1 1 1 22 22 6  o 83.56573 1.115050  68.38272       1.613470  66.78704       1.852807  73.38991       3.282116  -3.814812      2.230100  
1 1 1 22 22 7  o 15.34408 2.510724  2.448730       0.7375483 2.319856       0.9307190 2.666271       1.209221  -1.012780      5.021448  
1 1 1 22 22 8  o 65.13611 0.9479268 42.66374       1.183432  42.97235       1.478966  42.11443       1.973155  0.7080917      1.895854  
1 1 1 22 22 9  o 34.36179 1.068357  11.64412       0.6692156 11.35130       0.7920766 12.37455       1.251001  -1.426067      2.136714  
1 1 1 22 22 10 o 20.91239 1.545221  4.601920       0.5402364 4.759791       0.6200919 4.104660       1.100518  1.694605       3.090441  
1 1 1 22 22 11 o 47.83174 0.9294322 23.42476       0.7958063 23.98348       0.9421242 22.03327       1.486794  2.144077       1.858864  
1 1 1 22 22 12 o 15.33504 2.244275  3.419528       0.5431275 3.938678       0.5959790 0.8757852      1.319234  8.874486       4.488550  
1 1 1 22 22 13 o 28.55764 1.188278  8.100458       0.6005259 7.935157       0.6984648 8.569030       1.175968  -0.9515896     2.376556  
1 1 1 22 22 14 o 34.85903 1.019065  12.12548       0.6246803 11.95631       0.7250578 12.61274       1.230516  -0.7586632     2.038131  
1 1 1 22 22 15 o 10.40114 2.170811  1.178652       0.4525832 1.239398       0.5244973 1.001574       0.8955073 0.6523151      4.341622  
1 1 1 22 22 16 o 8.082182 2.438476  0.2728471      0.4753229 0.2490810      0.5048741 0.4582199      1.410026  -3.309090      4.876953  
1 1 1 22 22 17 o 10.28141 3.233611  0.3392557      1.232298  0.8274989      2.256146  0.1316688      1.471123  2.277428       6.467222  
1 1 1 22 22 18 o 8.638487 3.847330  0.000000       0.000000  ?              ?         0.7505573E-01  1.349202  ?              ?         
1 1 1 22 23 0  o 67.33165 1.533270  45.51677       1.813680  45.67012       3.534458  45.46194       2.113099  0.000000       0.000000  
1 1 1 22 23 1  o 53.70277 1.094888  28.94159       1.173983  30.67414       1.652862  27.17765       1.667764  3.256405       2.189776  
1 1 1 22 23 2  o 69.70216 1.031693  48.65902       1.424279  48.81048       2.172160  48.54479       1.886401  0.1717606      2.063387  
1 1 1 22 23 3  o 19.65395 2.052799  4.036869       0.7664614 4.540075       1.024267  3.396540       1.155426  3.193254       4.105599  
1 1 1 22 23 4  o 22.25675 1.673627  4.870384       0.6994050 4.673494       0.8454189 5.297364       1.244985  -1.356459      3.347253  
1 1 1 22 23 5  o 45.36630 1.059652  20.53931       0.9020541 20.35809       1.097343  20.91696       1.584116  -0.5728073     2.119305  
1 1 1 22 23 6  o 37.03456 1.322581  13.91716       0.7883233 14.01186       0.8849174 13.55302       1.735212  0.7234001      2.645162  
1 1 1 22 23 7  o 19.70088 1.671779  3.203238       0.5897900 2.397638       0.6750592 5.801501       1.212338  -8.542983      3.343558  
1 1 1 22 23 8  o 21.03263 1.966718  4.574701       0.8090675 5.419215       1.114380  3.633350       1.176537  4.260208       3.933436  
1 1 1 22 23 9  o 48.90524 0.9366961 23.84525       0.8424711 23.59878       1.007136  24.41965       1.537456  -0.7653008     1.873392  
1 1 1 22 23 10 o 23.77976 1.628458  4.128590       0.6126167 3.298736       0.6641841 8.858807       1.585726  -11.39809      3.256917  
1 1 1 22 23 11 o 27.29427 1.302711  7.522851       0.6108415 7.520505       0.7029197 7.530085       1.234518  0.1235943      2.605421  
1 1 1 22 23 12 o 32.88171 1.108424  10.95778       0.6593784 11.02204       0.7824148 10.80028       1.224908  0.4632225      2.216848  
1 1 1 22 23 13 f 24.07341 1.330905  5.601490       0.5905706 5.200579       0.6986080 6.605422       1.105507  -2.759724      2.661809  
1 1 1 22 23 14 o 20.28879 1.494152  3.862952       0.5210087 3.559008       0.5901518 4.936834       1.109292  -3.099291      2.988303  
1 1 1 22 23 15 o 32.16490 1.096353  10.10189       0.6303254 9.586875       0.7328872 11.56540       1.235455  -2.760706      2.192707  
1 1 1 22 23 16 o 16.45145 1.769603  3.026596       0.5158867 3.251855       0.6314970 2.574649       0.8944851 2.612388       3.539207  
1 1 1 22 23 17 o 8.006597 3.752906  0.000000       0.000000  ?              ?         -0.8329020     1.516130  ?              ?         
1 1 1 22 23 18 o 12.20843 4.648570  0.000000       0.000000  ?              ?         2.100334       1.574832  ?              ?         
1 1 1 22 24 0  o 15.92655 4.198687  3.160422       1.161911  4.277209       2.136217  2.691227       1.384640  0.000000       0.000000  
1 1 1 22 24 1  o 67.24814 0.9649038 45.30045       1.297747  45.02342       1.832405  45.57924       1.838194  -0.4128952     1.929808  
1 1 1 22 24 2  o 24.44979 1.844411  5.927431       0.8675585 5.704976       1.078303  6.335726       1.460850  -1.243414      3.688822  
1 1 1 22 24 3  o 32.97164 1.211380  10.98683       0.7302487 11.11164       0.8738475 10.69788       1.329584  0.6663780      2.422760  
1 1 1 22 24 4  o 45.37753 1.010443  20.83563       0.8447697 21.14858       1.017745  20.14243       1.514731  1.151108       2.020885  
1 1 1 22 24 5  o 60.13171 1.090458  35.26276       1.169231  34.10335       1.361581  38.51876       2.281748  -3.576008      2.180916  
1 1 1 22 24 6  f 49.12424 1.157836  24.13037       1.135166  22.26796       1.552435  26.27037       1.664111  -4.060207      2.315673  
1 1 1 22 24 7  o 34.89657 1.401794  11.88741       0.8569155 11.51346       0.9883177 13.01991       1.719917  -2.045143      2.803587  
1 1 1 22 24 8  o 44.92679 0.9830301 19.94235       0.8105962 19.48217       0.9646611 21.04787       1.495192  -1.674751      1.966060  
1 1 1 22 24 9  o 24.66138 1.664481  6.524283       0.7588915 7.321307       0.9488497 5.109302       1.264262  4.576632       3.328962  
1 1 1 22 24 10 o 14.72401 2.232105  2.244565       0.5852013 2.208986       0.6838161 2.341928       1.131201  0.3602791E-01  4.464211  
1 1 1 22 24 11 o 30.03576 1.291034  10.16309       0.6594193 11.50165       0.7865773 6.997531       1.209616  7.610462       2.582067  
1 1 1 22 24 12 o 18.15117 1.874275  3.468781       0.5481318 3.497311       0.6245240 3.373094       1.143732  0.8866501      3.748549  
1 1 1 22 24 13 o 35.37243 1.082703  12.39036       0.6817589 12.07180       0.7947565 13.27782       1.326512  -1.495201      2.165405  
1 1 1 22 24 14 f 6.465826 2.082960  -0.5248470     0.4828465 -0.7182223     0.5454247 0.1757824      1.038194  -3.937035      4.165920  
1 1 1 22 24 15 o 8.748035 2.398849  0.6336409      0.5619648 0.6506115      0.6650879 0.5912870      1.050699  -0.8232870     4.797699  
1 1 1 22 24 16 o 7.696301 2.485440  -0.1792697     0.6473379 -0.2039281     0.7103348 -0.5845702E-01 1.572306  -3.038845      4.970880  
1 1 1 22 24 17 o 18.89094 2.705671  4.367767       0.9827713 4.484129       1.268486  4.193041       1.554387  1.855095       5.411342  
1 1 1 22 24 18 o 17.93547 4.445261  0.000000       0.000000  ?              ?         4.507581       1.588548  ?              ?         
1 1 1 22 25 0  o 12.24971 4.215983  2.134171       1.107418  2.401711       2.181341  2.041273       1.285383  0.000000       0.000000  
1 1 1 22 25 1  o 22.16758 2.009948  4.762570       0.8734374 6.157806       1.406504  3.886767       1.114347  5.077215       4.019896  
1 1 1 22 25 2  o 22.13712 1.535022  4.760939       0.6517746 4.379598       0.8008574 5.508981       1.121660  -2.509777      3.070044  
1 1 1 22 25 3  o 56.98276 0.9134801 32.71822       1.002517  33.21652       1.263411  31.87108       1.647333  1.212322       1.826960  
1 1 1 22 25 4  o 65.35416 1.107004  42.78421       1.446946  42.78421       1.446946  ?              ?         ?              ?         
1 1 1 22 25 5  o 58.02115 0.9704929 33.97242       1.101114  34.83232       1.425571  32.70066       1.733672  1.868023       1.940986  
1 1 1 22 25 6  o 23.79221 1.609906  5.304019       0.6593581 4.954455       0.7486310 6.513089       1.392290  -3.164146      3.219811  
1 1 1 22 25 7  o 27.87180 1.377114  8.092934       0.6535082 8.359186       0.7554345 7.301135       1.302742  1.990532       2.754228  
1 1 1 22 25 8  f 20.13484 2.131982  4.357851       0.6122994 4.437431       0.6734889 3.978634       1.470183  1.733019       4.263964  
1 1 1 22 25 9  o 6.189479 2.023538  -0.5118019     0.5483735 -0.2031909     0.6331552 -1.438244      1.097018  -0.3888836     4.047076  
1 1 1 22 25 10 o 17.00850 2.293169  3.083845       0.7446049 3.269351       0.9633418 2.808540       1.173568  1.760590       4.586338  
1 1 1 22 25 11 o 32.83185 1.665666  10.87549       1.077213  8.493993       1.450277  13.80625       1.608853  -8.024014      3.331332  
1 1 1 22 25 12 o 42.53731 1.029525  18.28981       0.8187717 18.36759       0.9962515 18.12794       1.437197  0.4080009      2.059051  
1 1 1 22 25 13 o 46.16238 1.008943  21.28778       0.8360491 20.98553       0.9821523 22.08307       1.593162  -0.9724655     2.017885  
1 1 1 22 25 14 o 21.50444 1.563004  4.678820       0.5997811 4.572478       0.7013991 4.968142       1.156922  -0.6081829     3.126009  
1 1 1 22 25 15 o 12.25718 2.445383  1.547739       0.5648920 1.325930       0.6537132 2.201667       1.122439  -2.752403      4.890765  
1 1 1 22 25 16 o 8.243703 2.570221  0.2661242      0.6318831 0.3914934      0.6749549 -0.6231765     1.797644  -1.585808      5.140442  
1 1 1 22 25 17 o 19.09610 2.587771  4.329503       0.9653667 3.613654       1.307276  5.188050       1.431656  -4.117754      5.175542  
1 1 1 22 26 0  o 75.25345 1.687409  57.37959       2.446806  55.57237       3.985019  58.47318       3.099950  0.000000       0.000000  
1 1 1 22 26 1  o 14.12918 2.400502  2.155480       0.6395051 2.324610       0.7577654 1.736888       1.192118  2.108946       4.801005  
1 1 1 22 26 2  o 39.28836 1.170926  15.47870       0.9135991 15.36814       1.219701  15.62002       1.378955  -0.3024864     2.341851  
1 1 1 22 26 3  o 56.75713 0.9589978 32.66216       1.035005  33.51977       1.288011  31.09904       1.738881  2.175602       1.917996  
1 1 1 22 26 4  o 83.37128 1.001998  69.69456       1.592561  69.64683       1.973518  69.78367       2.696522  -0.6790161E-02 2.003997  
1 1 1 22 26 5  o 96.03813 1.661485  94.97539       2.505902  96.23647       2.796031  89.82728       5.649282  3.818130       3.322971  
1 1 1 22 26 6  o 47.25484 1.259831  22.91666       1.095322  23.68357       1.325159  21.26277       1.946031  2.658577       2.519661  
1 1 1 22 26 7  o 56.62630 1.121560  31.87987       1.128452  31.47025       1.317454  33.00821       2.186584  -1.217571      2.243121  
1 1 1 22 26 8  o 40.26649 1.100978  16.38961       0.8347031 16.53899       1.023549  16.09302       1.442232  0.6366386      2.201955  
1 1 1 22 26 9  o 23.21623 2.138062  6.399016       0.6950297 6.872421       0.7750334 4.454581       1.570727  5.823463       4.276124  
1 1 1 22 26 10 o 25.56369 1.771165  6.597583       0.7725322 6.534579       0.8846366 6.799981       1.585575  -0.2476768     3.542330  
1 1 1 22 26 11 o 26.80820 1.411043  7.184824       0.6617878 7.061099       0.7656441 7.550333       1.315987  -0.6954632     2.822086  
1 1 1 22 26 12 o 20.05052 1.725181  4.018244       0.6138121 3.885725       0.7136454 4.394993       1.203289  -0.9884815     3.450363  
1 1 1 22 26 13 o 19.70082 2.025305  4.222533       0.7419001 4.599202       0.9522969 3.640900       1.183359  2.883633       4.050609  
1 1 1 22 26 14 o 21.02420 1.844278  4.343071       0.6539407 4.076805       0.7378019 5.318671       1.412270  -2.233198      3.688556  
1 1 1 22 26 15 o 8.963476 2.641344  0.4721779      0.6105096 0.4395225      0.6647625 0.6480977      1.542930  -2.693330      5.282688  
1 1 1 22 26 16 o 28.82792 1.804624  7.882775       0.8651815 7.061787       0.9641293 11.27792       1.960630  -5.662292      3.609249  
1 1 1 22 26 17 o 17.39376 3.182469  3.916929       1.091440  3.168879       1.368412  5.224863       1.809441  -4.064983      6.364938  
1 1 1 22 27 0  o 8.059494 3.598456  0.4351559      1.113834  0.4103037      2.042613  0.4456729      1.328773  0.000000       0.000000  
1 1 1 22 27 1  o 78.68450 1.113086  63.16886       1.586023  64.64146       1.891262  59.67886       2.911530  3.267639       2.226172  
1 1 1 22 27 2  o 19.90191 1.907491  4.240629       0.6477389 4.473582       0.7670645 3.661684       1.209252  2.394472       3.814982  
1 1 1 22 27 3  o 41.91176 1.274644  17.80206       1.010221  18.12811       1.247143  17.17990       1.722779  1.194141       2.549288  
1 1 1 22 27 4  o 62.91778 0.9449239 39.78999       1.129366  39.99428       1.395967  39.40294       1.921408  0.5246696      1.889848  
1 1 1 22 27 5  o 29.76095 1.333228  8.817820       0.7462212 8.636393       0.9073926 9.196884       1.311601  -0.8734188     2.666457  
1 1 1 22 27 6  o 20.85219 1.800804  4.667893       0.6212169 4.904212       0.7134961 3.927451       1.262958  2.471848       3.601609  
1 1 1 22 27 7  o 20.45335 1.748627  4.008662       0.6356358 3.748278       0.7344077 4.786095       1.269000  -2.367056      3.497254  
1 1 1 22 27 8  o 27.44377 1.388844  7.365474       0.6985980 7.011090       0.8263624 8.253159       1.307867  -2.123299      2.777687  
1 1 1 22 27 9  o 16.87624 2.578012  3.437101       0.6747097 3.690577       0.7437257 2.258378       1.603800  4.450662       5.156024  
1 1 1 22 27 10 o 26.53230 2.241883  7.391189       0.7227829 7.418484       0.7649670 7.163982       2.207046  1.213585       4.483767  
1 1 1 22 27 11 o 11.01039 2.988292  0.9787607      0.6672305 1.026866       0.7041856 0.5561854      2.087089  -2.079020      5.976585  
1 1 1 22 27 12 o 9.242639 2.659377  0.5668960      0.6225526 0.6726750      0.6731983 -0.5782709E-01 1.636015  -1.329990      5.318754  
1 1 1 22 27 13 o 19.85897 1.928772  4.322725       0.6172578 4.482578       0.7100481 3.828208       1.248871  2.298363       3.857545  
1 1 1 22 27 14 o 7.271758 2.302156  -0.4887662     0.5723695 -0.7995163     0.6471214 0.6280027      1.226766  -4.738497      4.604312  
1 1 1 22 27 15 o 17.16146 2.347502  3.434017       0.7688125 3.804432       1.003496  2.907630       1.196258  3.235323       4.695004  
1 1 1 22 27 16 o 17.31833 3.295649  4.036520       1.164235  4.032913       1.576179  4.040851       1.727107  0.3561573      6.591297  
1 1 1 22 27 17 o 13.09297 3.321452  2.525615       1.085110  2.366404       1.376002  2.787469       1.764661  -0.4944172     6.642905  
1 1 1 22 28 0  o 117.0111 1.594770  137.1184       3.712292  132.8755       4.986530  142.3935       5.560133  0.000000       0.000000  
1 1 1 22 28 1  o 66.68381 0.9491328 44.20163       1.203625  43.36417       1.480869  45.83175       2.066074  -1.791122      1.898266  
1 1 1 22 28 2  o 33.07800 1.335010  10.14639       0.7666004 9.373430       0.8723589 12.76705       1.606284  -5.021652      2.670020  
1 1 1 22 28 3  o 56.13123 0.9635369 31.75362       1.034878  32.11974       1.292119  31.09858       1.728319  0.9598808      1.927074  
1 1 1 22 28 4  o 14.96300 2.812090  2.318100       0.8798304 3.257275       1.303276  1.531649       1.192611  5.044956       5.624181  
1 1 1 22 28 5  o 51.73349 0.9994864 27.03889       0.9928139 27.48601       1.246703  26.26377       1.641465  1.237068       1.998973  
1 1 1 22 28 6  o 18.81078 2.053693  3.606606       0.6408685 3.547755       0.7339929 3.795390       1.314618  -0.1363926     4.107386  
1 1 1 22 28 7  o 66.09850 0.9657068 42.80205       1.183643  41.04781       1.414734  46.89505       2.160988  -4.280609      1.931414  
1 1 1 22 28 8  o 34.15595 1.266563  12.18128       0.7913222 12.86115       0.9597167 10.73747       1.398571  3.221569       2.533126  
1 1 1 22 28 9  o 9.255597 2.585213  0.3774032      0.5802732 0.2048461      0.6451569 1.108161       1.327656  -4.388819      5.170426  
1 1 1 22 28 10 o 34.95795 1.206005  12.21426       0.7610371 12.01760       0.8969483 12.71972       1.437988  -0.8200455     2.412009  
1 1 1 22 28 11 o 22.22879 1.735035  4.559405       0.7005467 3.923106       0.8123732 6.405166       1.383606  -5.245028      3.470069  
1 1 1 22 28 12 f 21.51307 1.818066  4.580762       0.6746631 4.376748       0.7710261 5.247335       1.393681  -1.584660      3.636133  
1 1 1 22 28 13 o 24.41151 1.440710  6.028452       0.6476311 5.835141       0.7722305 6.486751       1.189032  -1.002771      2.881419  
1 1 1 22 28 14 o 13.66030 2.979401  2.298860       0.7249654 2.416454       0.7612799 1.153747       2.375616  2.425862       5.958801  
1 1 1 22 28 15 o 9.814573 2.659682  0.9997799      0.6832246 1.212361       0.7504060 -0.3052502E-01 1.652026  0.9528284      5.319365  
1 1 1 22 28 16 o 20.21141 3.367783  5.545424       1.344077  6.123821       1.845302  4.891791       1.961652  3.267927       6.735566  
1 1 1 22 29 0  o 8.335522 3.282862  0.7182317      0.7978384 0.2168152      0.9830183 1.686077       1.365731  0.000000       0.000000  
1 1 1 22 29 1  o 76.96227 1.138469  59.76013       1.618979  60.17253       1.951089  58.84846       2.900945  0.9954910      2.276938  
1 1 1 22 29 2  f 58.50002 0.9329219 34.66438       1.056418  35.72933       1.346755  32.96098       1.703261  2.408733       1.865844  
1 1 1 22 29 3  o 38.51461 1.111836  14.65615       0.8170910 14.11143       1.005240  15.71682       1.402735  -2.025616      2.223673  
1 1 1 22 29 4  o 8.931049 2.410834  0.9264985E-01  0.5929969 -0.4112389     0.6978809 1.401365       1.124700  -6.002519      4.821669  
1 1 1 22 29 5  f 26.87290 1.985169  7.150456       1.031453  8.218438       1.737613  6.569388       1.281694  2.901964       3.970339  
1 1 1 22 29 6  o 33.44529 1.258441  11.72671       0.7680491 12.47000       0.9319656 10.15322       1.355974  3.564230       2.516883  
1 1 1 22 29 7  o 9.133484 2.501815  0.6019167      0.6429790 0.8585016      0.7608241 -0.3930321E-01 1.202741  0.7719851      5.003631  
1 1 1 22 29 8  o 18.85576 2.185945  3.943943       0.7025965 4.234798       0.8346152 3.236454       1.301690  3.175707       4.371889  
1 1 1 22 29 9  o 33.43168 1.499120  11.71582       0.7961066 11.95500       0.8937283 10.79687       1.751786  2.063068       2.998240  
1 1 1 22 29 10 o 9.531550 2.583398  0.6588382      0.6298249 0.5786635      0.7376531 0.8745255      1.209889  -2.061800      5.166796  
1 1 1 22 29 11 o 33.96710 1.295235  12.33195       0.7754247 13.11893       0.9211916 10.41856       1.436377  4.204512       2.590470  
1 1 1 22 29 12 o 43.64691 1.073657  18.40560       0.8333607 17.43579       0.9653364 21.24287       1.651147  -4.083515      2.147313  
1 1 1 22 29 13 o 11.61197 2.554809  1.612708       0.6684788 1.910912       0.7827206 0.8089305      1.285045  2.888473       5.109618  
1 1 1 22 29 14 o 16.31271 2.386988  2.854702       0.7200780 2.379617       0.8748060 3.852937       1.268067  -3.711923      4.773975  
1 1 1 22 29 15 o 8.073534 2.541964  -0.1652702E-01 0.8232058 0.4543710      0.9616999 -1.307441      1.592299  0.6391115      5.083929  
1 1 1 22 29 16 o 14.91508 3.530910  3.373271       1.244885  3.567254       1.716788  3.158176       1.807801  1.103184       7.061820  
1 1 1 22 30 0  o 58.63697 1.250556  34.73722       1.456088  36.58284       1.996759  32.64115       2.127933  0.000000       0.000000  
1 1 1 22 30 1  o 66.52002 0.9308844 44.51923       1.234979  42.41872       1.787043  46.43946       1.708641  -3.032776      1.861769  
1 1 1 22 30 2  o 50.59316 1.019802  25.54926       1.009701  24.93299       1.293037  26.51223       1.616332  -1.508553      2.039604  
1 1 1 22 30 3  o 17.23132 2.148442  3.207035       0.6759459 3.459337       0.8390297 2.740453       1.140988  2.494699       4.296884  
1 1 1 22 30 4  o 6.959622 2.213425  -0.4038866     0.6433051 0.3695386E-01  0.7684272 -1.436717      1.176188  0.4864807      4.426849  
1 1 1 22 30 5  o 73.95782 1.004634  54.39043       1.397826  53.21729       1.699840  56.84061       2.456575  -2.297974      2.009268  
1 1 1 22 30 6  o 81.01035 1.092168  65.60435       1.735118  63.67703       2.229037  68.56788       2.764034  -2.894493      2.184336  
1 1 1 22 30 7  o 66.79865 0.9817577 44.85097       1.237231  44.77419       1.515935  45.00413       2.141135  -0.3855896E-01 1.963515  
1 1 1 22 30 8  f 8.201505 2.585689  -0.5269406     0.7000676 -0.7941787     0.7861869 0.4963170      1.538400  -4.958523      5.171378  
1 1 1 22 30 9  o 12.22842 2.635756  1.643406       0.6893427 1.842851       0.8209640 1.166644       1.269298  1.663613       5.271512  
1 1 1 22 30 10 o 9.277519 2.563437  0.6294616      0.6284714 0.6316429      0.7314179 0.6233071      1.228553  -1.358143      5.126875  
1 1 1 22 30 11 o 13.87992 2.480427  2.090280       0.6262394 2.064275       0.7249618 2.166734       1.243047  -0.2326870E-01 4.960854  
1 1 1 22 30 12 f 25.00361 1.565112  6.161143       0.7000026 5.778224       0.8131234 7.257339       1.375774  -2.474350      3.130224  
1 1 1 22 30 13 o 36.60498 1.364842  13.76841       0.8341827 13.68472       0.9480050 14.05550       1.755826  0.1990356      2.729683  
1 1 1 22 30 14 o 22.02932 1.757033  5.043815       0.7242617 4.776688       0.8727000 5.634926       1.298196  -1.351032      3.514065  
1 1 1 22 30 15 o 11.45853 3.081393  1.407857       0.8976384 1.080617       1.059286  2.241395       1.690609  -2.917188      6.162785  
1 1 1 22 30 16 o 9.411843 2.997223  0.4162396      1.182704  0.3653856      1.812977  0.4539145      1.560473  0.2741089      5.994446  
1 1 1 22 31 0  o 11.53246 3.170747  1.978028       0.8219985 2.682523       1.050880  0.8675766      1.319362  0.000000       0.000000  
1 1 1 22 31 1  o 43.82253 0.9636229 19.30943       0.8433576 19.03660       1.220934  19.55841       1.166316  -0.6050148     1.927246  
1 1 1 22 31 2  o 49.37094 1.079931  24.53225       1.053088  24.58834       1.385531  24.45550       1.620504  0.1807823      2.159863  
1 1 1 22 31 3  o 55.31144 1.044128  30.31253       1.114569  29.09252       1.390543  32.50472       1.863990  -2.990414      2.088256  
1 1 1 22 31 4  f 24.42022 1.914014  5.468577       0.7893739 4.987896       0.8856655 7.325566       1.740787  -4.439184      3.828028  
1 1 1 22 31 5  o 20.15210 2.545288  4.451547       0.9387267 4.820766       1.167985  3.777901       1.577651  3.141726       5.090576  
1 1 1 22 31 6  o 31.46298 1.606449  10.37970       0.8265956 10.63657       0.9383819 9.490151       1.746260  2.090649       3.212898  
1 1 1 22 31 7  f 30.08503 1.491669  9.131929       0.8852959 8.835700       1.152274  9.558722       1.383090  -1.115789      2.983338  
1 1 1 22 31 8  o 51.92094 1.152926  27.17076       1.173312  26.85594       1.511819  27.64760       1.860572  -0.6469383     2.305851  
1 1 1 22 31 9  o 39.66331 1.177261  15.84266       0.8899835 15.65180       1.100057  16.20427       1.514191  -0.5441017     2.354523  
1 1 1 22 31 10 o 11.81653 2.654016  1.016835       0.7076503 0.3302228      0.8381571 2.721189       1.320535  -7.445484      5.308031  
1 1 1 22 31 11 o 11.24554 2.742586  1.085480       0.6723498 0.8126049      0.7757825 1.909027       1.347728  -3.944397      5.485173  
1 1 1 22 31 12 o 43.10455 1.169829  19.01666       0.9223300 18.98577       1.101821  19.08897       1.685988  0.3060379      2.339658  
1 1 1 22 31 13 o 10.82879 2.658726  1.339415       0.7217610 1.647353       0.8673005 0.6457849      1.301674  2.167595       5.317452  
1 1 1 22 31 14 o 16.12880 2.798095  3.152576       0.8677825 2.937346       1.080383  3.543901       1.456779  -0.9059200     5.596189  
1 1 1 22 31 15 o 12.61145 3.313738  2.045792       1.097162  1.715066       1.414777  2.544791       1.737816  -1.754732      6.627475  
1 1 1 22 32 0  f 42.47856 1.377886  18.49754       1.143434  19.78280       1.514287  16.79262       1.744070  0.000000       0.000000  
1 1 1 22 32 1  o 39.95132 1.273471  16.15509       0.9172159 16.20975       1.085171  16.01835       1.716322  0.4032936      2.546941  
1 1 1 22 32 2  o 22.15134 1.423598  5.007228       0.6179072 3.811786       0.8617891 6.272032       0.8864376 -5.545858      2.847197  
1 1 1 22 32 3  f 56.40326 1.071484  31.84477       1.168835  31.30424       1.470129  32.77354       1.927066  -1.198483      2.142968  
1 1 1 22 32 4  o 48.11025 1.107342  23.36430       1.027997  23.50366       1.296083  23.12793       1.687959  0.4813156      2.214684  
1 1 1 22 32 5  o 41.64188 1.151983  17.66334       0.9181092 18.12534       1.151587  16.85746       1.520951  1.616417       2.303965  
1 1 1 22 32 6  o 59.97133 1.553064  34.98750       1.370993  34.25278       1.491056  39.00640       3.487275  -3.228329      3.106128  
1 1 1 22 32 7  o 25.84048 1.583573  6.695671       0.7224368 6.564530       0.8397125 7.069270       1.417311  -0.7195492     3.167145  
1 1 1 22 32 8  o 8.947199 2.642778  0.1727715      0.7624089 -0.9696516E-01 0.9494045 0.6625819      1.279367  -2.636498      5.285556  
1 1 1 22 32 9  o 34.82850 1.545871  12.45341       1.074755  13.03455       1.500659  11.84144       1.539968  1.735126       3.091742  
1 1 1 22 32 10 o 24.25770 1.619066  5.267991       0.7047411 4.407046       0.8089275 7.979383       1.435549  -6.962580      3.238132  
1 1 1 22 32 11 o 14.94532 2.468328  2.820052       0.6924544 3.224492       0.8053892 1.673637       1.355970  5.269312       4.936657  
1 1 1 22 32 12 f 18.75447 2.633497  3.818383       0.8714904 3.551918       1.016825  4.555813       1.691557  -1.129757      5.266994  
1 1 1 22 32 13 o 14.29731 2.804652  2.522485       0.8154753 2.638402       1.007936  2.302830       1.387491  1.476225       5.609304  
1 1 1 22 32 14 o 18.91215 2.555064  4.346506       0.9144670 4.601743       1.171867  3.949052       1.462347  2.766529       5.110129  
1 1 1 22 32 15 o 8.739040 2.881081  -0.4343425     1.250363  0.5269902      1.794001  -1.342455      1.743635  1.929327       5.762162  
1 1 1 22 33 0  o 28.51798 2.744606  8.178601       1.325201  9.711645       2.642146  7.663314       1.531809  0.000000       0.000000  
1 1 1 22 33 1  o 16.44655 1.975325  2.814834       0.6338284 3.038872       0.8913526 2.585682       0.9014703 1.630443       3.950650  
1 1 1 22 33 2  o 12.71624 2.501065  1.728814       0.6781345 2.220886       0.9441302 1.204412       0.9746519 3.344073       5.002130  
1 1 1 22 33 3  o 68.97015 1.143296  48.61076       1.415827  49.48121       1.676954  46.45020       2.641988  2.433144       2.286592  
1 1 1 22 33 4  f 51.29015 1.037310  26.90520       1.016404  27.98560       1.277102  25.03847       1.678700  2.968311       2.074620  
1 1 1 22 33 5  o 34.85180 1.344365  12.62634       0.8319495 13.03209       0.9829426 11.60154       1.562144  2.248146       2.688730  
1 1 1 22 33 6  o 18.36786 2.521918  2.656997       0.7039826 2.144748       0.7630678 5.585736       1.824580  -8.342305      5.043836  
1 1 1 22 33 7  o 20.48042 1.783021  4.083476       0.6896082 3.680588       0.8304709 4.978280       1.237644  -2.958845      3.566042  
1 1 1 22 33 8  o 12.13556 2.776082  1.657991       0.7501127 1.930549       0.8501419 0.6999223      1.593896  2.282649       5.552163  
1 1 1 22 33 9  f 17.36818 2.513519  3.380543       0.7463073 3.479541       0.8616692 3.083292       1.493094  2.001150       5.027037  
1 1 1 22 33 10 o 11.20369 2.781761  1.213716       0.6964208 1.105157       0.8046399 1.537837       1.390344  -1.942219      5.563521  
1 1 1 22 33 11 o 21.02568 2.590147  5.158863       1.034264  3.838148       1.500349  6.354765       1.427695  -6.411333      5.180294  
1 1 1 22 33 12 o 18.95145 2.491250  3.971731       0.8740807 3.655865       1.064231  4.626499       1.532242  -1.308640      4.982501  
1 1 1 22 33 13 o 20.32992 2.389006  4.625231       0.9357284 3.791853       1.203999  5.896421       1.486998  -4.835142      4.778011  
1 1 1 22 33 14 f 18.75852 2.529258  4.361839       0.8939234 5.014089       1.161649  3.414747       1.399793  5.091799       5.058517  
1 1 1 22 34 0  o 8.745104 3.446907  0.8919960      0.8901114 0.3511968      1.123087  1.805536       1.459685  0.000000       0.000000  
1 1 1 22 34 1  o 35.21632 1.242565  12.74688       0.8387633 11.70818       1.369107  13.37095       1.061235  -2.447674      2.485129  
1 1 1 22 34 2  o 13.51334 2.344803  1.963402       0.6329135 2.306355       0.9056856 1.636064       0.8848284 2.313622       4.689606  
1 1 1 22 34 3  f 15.91864 1.935845  2.646071       0.6012806 2.862525       0.8474097 2.426598       0.8532993 1.616637       3.871689  
1 1 1 22 34 4  o 38.39578 1.210663  14.65311       0.8571725 14.25434       1.023249  15.59130       1.569525  -1.557762      2.421326  
1 1 1 22 34 5  o 45.02384 1.894450  23.34652       1.105594  24.29469       1.193429  17.60715       2.936204  8.237888       3.788900  
1 1 1 22 34 6  o 14.21306 3.279646  1.787722       0.7509231 1.688269       0.7925446 2.660684       2.348071  -3.428535      6.559292  
1 1 1 22 34 7  o 15.85865 2.628135  3.022484       0.7152231 3.255931       0.8010987 2.105398       1.587805  3.892317       5.256271  
1 1 1 22 34 8  o 11.90078 2.719182  1.512684       0.7253296 1.514632       0.9218416 1.509519       1.175243  -0.1954756     5.438365  
1 1 1 22 34 9  o 18.50272 2.027018  3.431705       0.7080020 3.142180       0.8545845 4.065325       1.264231  -2.154896      4.054037  
1 1 1 22 34 10 o 8.849512 2.955675  -0.5461124     0.7653307 -0.6469759     0.8053241 0.3943997      2.459154  -5.871501      5.911351  
1 1 1 22 34 11 o 11.55235 3.290760  1.157450       0.9682115 1.090526       1.069019  1.462935       2.283961  -2.336241      6.581519  
1 1 1 22 34 12 o 11.08010 3.101861  1.281380       0.8880713 1.455711       0.9572094 0.2036998      2.379933  0.1918125      6.203722  
1 1 1 22 34 13 o 7.090196 2.359908  -0.8044475     0.8442681 -0.8576866     1.089237  -0.7243283     1.336211  -0.9411268     4.719816  
1 1 1 22 34 14 o 8.999311 2.944113  -0.1231943     1.262949  0.2926545      1.820813  -0.5087596     1.753261  0.9592581      5.888226  
1 1 1 22 35 0  o 38.51384 1.512832  15.32039       1.129626  16.28600       1.477338  13.96110       1.752819  0.000000       0.000000  
1 1 1 22 35 1  o 38.32823 1.042141  14.79172       0.7960644 13.14810       1.102200  16.58410       1.150995  -4.468136      2.084281  
1 1 1 22 35 2  o 67.10999 1.024437  45.05182       1.335215  46.94769       2.184242  43.92068       1.687149  2.110123       2.048875  
1 1 1 22 35 3  o 21.67125 1.543482  4.779761       0.6682539 4.627648       0.9192412 4.950246       0.9731705 -0.7203274     3.086964  
1 1 1 22 35 4  o 55.66517 1.238646  31.03690       1.172369  30.74228       1.339786  31.99972       2.422019  -0.7634277     2.477293  
1 1 1 22 35 5  o 11.80474 2.543967  0.5619025      0.7237985 -0.4298465     0.8474376 3.236385       1.391639  -10.46799      5.087934  
1 1 1 22 35 6  o 10.48389 2.907735  0.8663920      0.8071853 0.9723990      0.9203301 0.5130259      1.680307  -0.7904634     5.815471  
1 1 1 22 35 7  o 24.65753 1.711899  5.775679       0.7853847 5.012014       0.9288781 7.690631       1.470911  -5.070633      3.423799  
1 1 1 22 35 8  o 11.92156 2.802885  1.133227       0.7265665 0.6499612      0.8439988 2.516450       1.427891  -5.934380      5.605771  
1 1 1 22 35 9  o 19.25904 2.019918  3.709840       0.7384933 3.207461       0.8912390 4.810467       1.319162  -3.644995      4.039835  
1 1 1 22 35 10 f 17.09657 2.575862  3.171463       0.7860293 2.879091       0.9248765 3.931881       1.491561  -1.991295      5.151725  
1 1 1 22 35 11 o 11.77209 2.542544  1.783704       0.8039364 2.568067       0.9148259 -0.8761298     1.684640  6.460428       5.085088  
1 1 1 22 35 12 o 12.51018 3.115466  2.035343       0.9551826 2.298571       1.072295  1.023896       2.101941  2.313286       6.230933  
1 1 1 22 35 13 o 13.31140 3.308364  2.392737       1.049289  2.443461       1.227017  2.254692       2.024201  0.8352346      6.616729  
1 1 1 22 36 0  o 50.51472 1.377768  25.82215       1.362024  25.81472       1.766444  25.83306       2.138960  0.000000       0.000000  
1 1 1 22 36 1  o 61.32688 0.9080481 37.80205       1.112900  39.38561       1.612336  36.36106       1.538047  2.446827       1.816096  
1 1 1 22 36 2  o 33.87226 1.103713  11.58224       0.7474437 11.44923       1.041058  11.72375       1.073792  -0.3949203     2.207426  
1 1 1 22 36 3  o 28.73928 1.496242  8.464586       0.8471060 8.141883       1.301548  8.701742       1.115772  -1.058861      2.992483  
1 1 1 22 36 4  o 7.658450 2.479180  -1.233832      0.8797047 -2.277447      1.154176  0.2129138      1.358933  -3.754281      4.958360  
1 1 1 22 36 5  f 31.22686 1.547589  10.14475       0.9177704 10.52416       1.145791  9.465563       1.533004  1.907757       3.095179  
1 1 1 22 36 6  o 15.59049 2.747642  2.467757       0.7611273 2.190377       0.8733507 3.343807       1.552083  -2.878298      5.495284  
1 1 1 22 36 7  o 11.61687 2.672605  1.488107       0.7180796 1.786730       0.8538470 0.7666000      1.327208  2.267922       5.345210  
1 1 1 22 36 8  o 19.78527 2.195465  4.089228       0.7658750 3.843146       0.9000415 4.735026       1.458047  -1.229910      4.390931  
1 1 1 22 36 9  o 16.02125 2.502050  2.903343       0.7336587 2.876982       0.8713775 2.967535       1.359758  0.7860813      5.004101  
1 1 1 22 36 10 o 19.63906 2.675626  4.946985       0.7920381 5.237123       0.8830299 3.752825       1.791448  5.556808       5.351252  
1 1 1 22 36 11 o 14.21294 2.841746  2.787342       0.8869937 3.285789       1.037288  1.431375       1.710859  5.306461       5.683492  
1 1 1 22 36 12 o 26.23530 1.973846  7.591943       1.023174  9.240955       1.504139  6.171739       1.395891  5.637995       3.947692  
1 1 1 22 36 13 o 11.96722 3.094849  1.992356       0.9687195 1.747923       1.334480  2.264644       1.408464  -1.175277      6.189697  
1 1 1 22 37 0  f 53.60100 1.396521  29.18273       1.453792  29.35422       1.860785  28.91406       2.329115  0.000000       0.000000  
1 1 1 22 37 1  o 24.11535 1.467476  5.982813       0.7031779 6.529827       0.9747721 5.389300       1.015357  2.386681       2.934952  
1 1 1 22 37 2  o 25.20349 1.486551  6.363315       0.7412375 5.483078       0.9683943 7.608646       1.151848  -4.113634      2.973102  
1 1 1 22 37 3  f 24.72737 1.447929  6.236619       0.7140542 6.908140       1.030785  5.617069       0.9900936 2.589214       2.895858  
1 1 1 22 37 4  o 30.31957 1.756941  9.388787       1.059453  10.56423       1.602891  8.476880       1.411819  3.317207       3.513882  
1 1 1 22 37 5  o 14.99000 2.651465  2.266050       0.7575977 1.748949       0.9135699 3.404689       1.355648  -4.799009      5.302930  
1 1 1 22 37 6  o 10.56303 2.978167  0.7175771      0.8155887 0.5614210      0.9268327 1.253463       1.716950  -3.256282      5.956334  
1 1 1 22 37 7  o 15.01297 2.597491  2.870108       0.7788954 3.390463       0.9184483 1.537355       1.469872  5.833468       5.194982  
1 1 1 22 37 8  o 8.037422 2.524069  -0.2368190E-01 0.7472035 0.9256728E-01  0.8775706 -0.3300943     1.424755  -1.068470      5.048137  
1 1 1 22 37 9  o 11.91837 2.979072  1.476453       0.7684811 1.333290       0.8666369 2.003236       1.662409  -2.137717      5.958144  
1 1 1 22 37 10 o 13.88998 2.969489  2.359409       0.8310698 2.323219       0.9608799 2.466864       1.655730  0.2775688      5.938979  
1 1 1 22 37 11 o 17.44821 2.657573  3.830533       0.9441410 5.415381       1.322549  2.183474       1.348256  8.974391       5.315145  
1 1 1 22 37 12 o 12.41525 2.719241  1.748456       0.9531233 3.665970       1.324122  -0.3133816     1.373049  8.788369       5.438483  
1 1 1 22 38 0  o 40.05182 1.520643  16.23796       1.171281  15.85195       1.473170  16.90128       1.931179  0.000000       0.000000  
1 1 1 22 38 1  o 18.84115 1.990777  3.783133       0.7233454 3.291308       1.053705  4.221478       0.9947670 -2.762680      3.981553  
1 1 1 22 38 2  o 33.98904 1.218763  11.64832       0.8242077 12.68194       1.245409  10.84285       1.099408  2.635174       2.437525  
1 1 1 22 38 3  o 27.55346 1.409585  7.761606       0.7763254 7.744520       1.079206  7.779928       1.117579  -0.4266930E-01 2.819170  
1 1 1 22 38 4  o 18.55509 1.950033  3.673809       0.6931267 4.317643       0.9663739 2.991680       0.9946977 3.837423       3.900065  
1 1 1 22 38 5  o 28.04576 1.649411  7.835680       0.8839839 7.122275       1.080190  9.282228       1.538149  -3.480030      3.298822  
1 1 1 22 38 6  o 33.60904 1.806405  11.74109       1.120068  11.45575       1.341483  12.39789       2.035264  -0.6624870     3.612810  
1 1 1 22 38 7  o 22.77407 2.177530  5.907845       0.8157715 6.143580       0.9505470 5.248847       1.589286  3.138884       4.355060  
1 1 1 22 38 8  o 10.91669 2.903510  1.264905       0.8011163 1.451859       0.8942192 0.5047373      1.803144  0.6910067      5.807019  
1 1 1 22 38 9  o 18.89571 2.678748  4.435771       0.8656248 4.697991       1.008359  3.701207       1.687710  4.199265       5.357496  
1 1 1 22 38 10 o 9.471861 2.815794  0.6685457      0.8525219 0.8284819      0.9899045 0.2093095      1.677405  -0.2840261     5.631587  
1 1 1 22 38 11 o 8.890095 2.688218  0.2943862      0.8899259 1.019533       1.226018  -0.5131661     1.293807  2.388903       5.376437  
1 1 1 22 38 12 o 9.914225 2.898321  1.041367       0.9406516 1.244825       1.311876  0.8260763      1.349486  0.7564392      5.796642  
1 1 1 22 39 0  f 34.29067 1.712339  11.94536       1.134778  11.36883       1.440836  12.88718       1.841547  0.000000       0.000000  
1 1 1 22 39 1  o 13.15537 2.563689  1.927477       0.7069166 1.516445       1.028329  2.295767       0.9733940 -2.547646      5.127378  
1 1 1 22 39 2  o 25.00051 1.461192  6.421526       0.7268546 7.194229       1.032187  5.661448       1.023721  3.060423       2.922384  
1 1 1 22 39 3  o 33.79093 1.333861  11.80007       0.8910625 10.92110       1.333697  12.50876       1.197570  -2.438679      2.667722  
1 1 1 22 39 4  o 10.74702 2.604080  1.118717       0.7127545 1.881476       1.051316  0.4699133      0.9696086 4.094678       5.208160  
1 1 1 22 39 5  o 15.09490 2.926641  2.742836       0.8071290 2.811769       0.9002668 2.460445       1.822150  1.738366       5.853282  
1 1 1 22 39 6  o 7.336986 2.490915  -0.9791074     0.8244869 -0.8493714     0.9165664 -1.529221      1.887383  -2.465787      4.981831  
1 1 1 22 39 7  o 22.77071 2.545593  6.348363       0.8779181 6.697511       0.9956367 5.128235       1.861226  5.214607       5.091186  
1 1 1 22 39 8  o 11.74605 3.392395  1.309464       1.034040  1.287010       1.127951  1.427712       2.588464  -1.822580      6.784791  
1 1 1 22 39 9  o 8.781260 2.823579  -0.2688668     1.088270  -0.6985955     1.487014  0.2267541      1.596954  -1.410949      5.647158  
1 1 1 22 39 10 o 7.819635 2.499274  -0.2404632     0.7990684 -0.5243373     0.9989619 0.2638473      1.331481  -2.166182      4.998548  
1 1 1 22 39 11 o 11.78228 3.095418  1.430039       1.043181  3.564559       1.698882  0.1381146      1.321696  6.803753       6.190836  
1 1 1 22 40 0  o 12.43171 3.884521  2.479212       1.026809  2.665382       1.296207  2.165563       1.682445  0.000000       0.000000  
1 1 1 22 40 1  f 25.15203 1.667377  6.798287       0.8133975 7.866384       1.092018  5.467181       1.219077  4.891752       3.334755  
1 1 1 22 40 2  o 22.15302 1.729317  5.174705       0.7626487 4.665877       1.084719  5.672114       1.072481  -2.283829      3.458633  
1 1 1 22 40 3  o 7.961065 2.470757  -0.2208640     0.8146287 -1.743114      1.408493  0.5443010      0.9985945 -1.897982      4.941514  
1 1 1 22 40 4  o 18.69049 1.966457  3.749913       0.7329410 3.390055       1.020471  4.133356       1.053382  -1.944492      3.932914  
1 1 1 22 40 5  o 12.27321 2.574863  1.713258       0.6844195 2.135650       1.008654  1.352824       0.9317455 2.536747       5.149725  
1 1 1 22 40 6  o 13.55080 3.556863  1.237634       0.9093431 0.7601205      0.9685485 4.789114       2.641394  -8.594261      7.113726  
1 1 1 22 40 7  o 15.11372 3.670742  2.180877       0.9774460 1.753659       1.045461  5.147425       2.754921  -6.009077      7.341484  
1 1 1 22 40 8  o 9.796340 3.053555  0.5419970      0.9560242 0.6761495      1.038267  -0.2055702     2.450951  -1.456215      6.107109  
1 1 1 22 40 9  o 13.29667 3.024412  2.339397       0.9506662 2.857780       1.257729  1.648517       1.451989  3.288221       6.048823  
1 1 1 22 40 10 f 20.63093 2.553370  5.360929       1.006685  6.338385       1.393306  4.293375       1.456105  5.465393       5.106740  
1 1 1 22 41 0  f 11.27551 4.374219  2.200351       1.333192  2.200209       2.533441  2.200407       1.567838  0.000000       0.000000  
1 1 1 22 41 1  o 10.19502 2.568583  0.7948610      0.7543988 -0.2778764     1.041236  1.980196       1.094519  -5.545293      5.137165  
1 1 1 22 41 2  o 26.54196 1.431893  7.310997       0.7590379 7.857752       1.089815  6.795908       1.057785  1.969707       2.863785  
1 1 1 22 41 3  o 24.43841 1.630105  6.282372       0.7812788 7.908607       1.134118  4.813582       1.077820  6.271849       3.260211  
1 1 1 22 41 4  o 26.17101 1.645182  7.379183       0.8408529 8.668845       1.153865  5.918781       1.227873  5.342569       3.290365  
1 1 1 22 41 5  o 50.06320 1.213282  26.09357       1.168544  26.72876       1.476708  25.02958       1.911238  2.102764       2.426565  
1 1 1 22 41 6  o 12.31059 3.411689  1.417314       0.9037784 1.210636       0.9684362 2.811887       2.515616  -3.830575      6.823379  
1 1 1 22 41 7  o 10.78995 3.311224  0.8451287      1.068687  0.7944564      1.169292  1.102166       2.633516  -2.416058      6.622447  
1 1 1 22 41 8  o 11.41606 3.264066  1.409617       1.025083  1.384754       1.154574  1.502182       2.227753  -1.071787      6.528131  
1 1 1 22 41 9  o 15.29316 4.270373  3.217489       1.355613  3.217489       1.355613  ?              ?         ?              ?         
1 1 1 22 42 0  o 9.661590 3.674052  0.9256271      1.077539  -0.2780560     1.350738  3.032321       1.786964  0.000000       0.000000  
1 1 1 22 42 1  o 17.84613 2.750780  3.428908       0.8964660 5.036557       1.654037  2.760242       1.066730  4.990670       5.501561  
1 1 1 22 42 2  o 17.40559 2.265518  3.431638       0.7662646 2.918796       1.086046  3.940002       1.081293  -3.229666      4.531035  
1 1 1 22 42 3  o 32.60722 1.299353  11.01740       0.8468736 11.52323       1.219290  10.54592       1.177142  1.455801       2.598706  
1 1 1 22 42 4  o 52.93225 1.076704  28.70091       1.130894  28.09930       1.501469  29.48964       1.719203  -1.116737      2.153408  
1 1 1 22 42 5  o 9.877340 2.667166  0.7723122      0.7760342 0.1591565E-01  1.025326  1.786695       1.187376  -4.331420      5.334332  
1 1 1 22 42 6  o 19.58050 2.947439  5.373590       1.049471  6.122879       1.242700  3.510345       1.959642  8.157010       5.894879  
1 1 1 22 42 7  o 8.456450 2.697281  -0.1148701     0.9419715 -0.2931528     1.197320  0.1747188      1.525972  -1.483137      5.394563  
1 1 1 22 42 8  o 10.05235 2.894834  0.8531566      1.021284  2.034012       1.387180  -0.5444697     1.509142  4.095154       5.789668  
1 1 1 22 43 0  o 7.118773 3.288732  0.3146617      1.090198  0.6959822      1.279648  -0.6947950     2.082041  0.000000       0.000000  
1 1 1 22 43 1  o 19.77656 1.869414  4.251051       0.7393766 4.207231       1.039627  4.295900       1.051752  -0.2042217     3.738829  
1 1 1 22 43 2  o 11.18355 2.753573  1.380239       0.7590981 0.9213688      0.9863037 2.047000       1.188916  -3.211852      5.507147  
1 1 1 22 43 3  o 9.498013 2.641545  0.8567718      0.7276602 0.8969653      0.9316590 0.7939003      1.165217  -0.1582623     5.283091  
1 1 1 22 43 4  o 10.03511 2.716698  1.058699       0.7684554 1.240475       1.005271  0.8031497      1.191937  0.8168392      5.433396  
1 1 1 22 43 5  o 12.51819 2.992955  1.954466       0.8706633 1.714636       1.103139  2.350674       1.417882  -1.540669      5.985910  
1 1 1 22 43 6  o 31.97633 1.873915  11.99758       1.095413  15.24559       1.450936  7.692455       1.670448  12.19242       3.747830  
1 1 1 22 43 7  o 13.63504 3.231342  2.762281       1.088182  3.456839       1.475492  1.933976       1.611306  3.774717       6.462684  
1 1 1 22 44 0  o 32.58125 2.583201  12.00577       1.398547  12.25292       1.629124  11.31334       2.726903  0.000000       0.000000  
1 1 1 22 44 1  o 22.72257 2.226989  5.714709       0.9283665 5.478576       1.106948  6.274631       1.704561  -0.4755917     4.453977  
1 1 1 22 44 2  o 11.73263 2.972353  1.685915       0.9012944 1.236802       1.268110  2.144373       1.281237  -2.257943      5.944705  
1 1 1 22 44 3  o 33.09868 1.506078  11.64351       0.9963426 12.22231       1.433556  11.10268       1.385743  1.619556       3.012156  
1 1 1 22 44 4  o 19.59689 2.977990  4.768822       1.164729  6.629811       1.759987  3.318700       1.553603  7.913036       5.955980  
1 1 1 22 44 5  o 14.92705 2.878901  3.067557       0.9136689 3.621845       1.199804  2.302408       1.409663  4.193171       5.757802  
1 1 1 22 44 6  o 14.00680 3.236348  2.892150       1.069755  3.495589       1.496821  2.262132       1.529430  3.103060       6.472696  
1 1 1 22 45 0  o 10.83626 4.209631  1.951233       1.224682  1.331199       1.475612  3.323692       2.195402  0.000000       0.000000  
1 1 1 22 45 1  o 33.62719 2.008629  12.90563       1.313943  14.54566       1.761945  10.85090       1.972166  5.928457       4.017259  
1 1 1 22 45 2  o 17.78170 2.923820  4.137608       1.016803  4.037298       1.525029  4.217888       1.364309  -0.9964848     5.847639  
1 1 1 22 45 3  o 14.44201 3.494239  3.410555       1.290744  3.854381       1.527477  2.302249       2.413781  4.118834       6.988477  
1 1 1 22 45 4  o 18.28253 2.977253  4.530156       1.144591  6.634284       1.688005  2.739315       1.557278  9.559859       5.954507  
1 1 1 22 46 0  o 8.206891 3.835829  0.7918598      1.561152  0.7621675      2.112982  0.8275522      2.316650  0.000000       0.000000  
1 1 1 22 46 1  o 13.46824 3.255689  2.594824       1.145172  1.316805       1.600660  3.934896       1.639059  -5.660324      6.511377  
1 1 1 23 0  1  o 132.5694 2.063172  176.8295       5.167331  174.3746       8.859599  178.0951       6.361397  0.000000       0.000000  
1 1 1 23 0  2  o 190.9246 2.341651  365.3511       8.932891  359.6670       12.44963  371.3829       12.82475  0.000000       0.000000  
1 1 1 23 0  3  o 11.71593 3.363299  1.899708       0.7718682 1.643940       1.046460  2.204899       1.143104  0.000000       0.000000  
1 1 1 23 0  4  o 40.99776 1.704857  16.78379       1.371983  15.67426       1.786968  18.37696       2.141301  0.000000       0.000000  
1 1 1 23 0  5  o 177.2447 2.193477  314.9707       7.770002  316.9047       11.04964  313.0790       10.92825  0.000000       0.000000  
1 1 1 23 0  6  o 206.7261 2.544502  428.1315       10.50073  442.5287       15.30878  415.3386       14.43063  0.000000       0.000000  
1 1 1 23 0  7  o 6.438508 4.425219  -1.013455      1.756266  -1.013455      1.756266  -1.013455      1.756266  0.000000       0.000000  
1 1 1 23 0  8  o 93.03656 1.928021  86.94547       3.580363  85.86690       5.076031  88.01337       5.050858  0.000000       0.000000  
1 1 1 23 0  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 0  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 0  11 o 30.69810 2.866915  9.888124       1.663789  9.877189       2.650553  9.895236       2.137327  0.000000       0.000000  
1 1 1 23 0  12 o 45.19390 2.774082  20.77005       2.487899  20.77005       2.487899  20.77005       2.487899  0.000000       0.000000  
1 1 1 23 0  13 o 68.54723 1.831681  47.50439       2.494171  47.16384       3.679823  47.79380       3.392279  0.000000       0.000000  
1 1 1 23 0  14 o 13.53190 3.984995  1.398573       1.380206  5.518729       2.384510  -0.6773158     1.692561  0.000000       0.000000  
1 1 1 23 0  15 o 20.11515 4.153838  5.050060       1.346145  5.255172       2.530345  4.969092       1.589789  0.000000       0.000000  
1 1 1 23 0  16 o 10.88974 4.357263  1.621564       1.334120  2.442228       2.424934  1.265337       1.597645  0.000000       0.000000  
1 1 1 23 0  17 o 13.20687 4.893680  2.094884       1.584751  4.973556       3.076008  1.054713       1.849029  0.000000       0.000000  
1 1 1 23 0  18 o 9.927798 4.453875  -0.3776387     1.842167  3.587829       3.206954  -2.330502      2.250512  0.000000       0.000000  
1 1 1 23 0  19 o 12.35603 7.052236  3.003312       2.694279  3.003312       2.694279  3.003312       2.694279  0.000000       0.000000  
1 1 1 23 0  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 1  0  o 60.70941 1.379880  37.54171       1.594208  38.93587       1.997933  35.09848       2.644882  0.000000       0.000000  
1 1 1 23 1  1  o 73.00922 1.047002  53.41849       1.499438  52.93026       2.357974  53.74995       1.942855  -0.5707397     2.094004  
1 1 1 23 1  2  o 44.51768 1.070962  20.31973       0.9292216 15.74119       1.353968  24.39630       1.277592  -9.722828      2.141924  
1 1 1 23 1  3  o 41.00744 0.8332531 16.82185       0.6826569 16.87754       0.9893919 16.77124       0.9431154 0.1286430      1.666506  
1 1 1 23 1  4  o 81.76582 0.9203605 66.87578       1.486215  67.02975       2.291576  66.76401       1.952549  0.1546631      1.840721  
1 1 1 23 1  5  f 46.53649 0.9692171 21.97841       0.8798991 20.14847       1.374529  23.24895       1.145324  -3.336830      1.938434  
1 1 1 23 1  6  o 16.90849 2.258133  2.935276       0.7423745 2.825927       1.112410  3.023082       0.9968261 -0.9010181     4.516265  
1 1 1 23 1  7  o 36.72014 1.567629  13.44823       0.9685311 13.39317       1.102552  13.63431       2.026875  -0.2841911     3.135257  
1 1 1 23 1  8  o 64.72179 1.263442  41.89177       1.632537  40.96913       2.233029  42.95111       2.392748  -1.524212      2.526884  
1 1 1 23 1  9  o 99.68591 2.009930  99.61127       4.007235  99.61127       4.007235  ?              ?         ?              ?         
1 1 1 23 1  10 o 85.96242 1.354340  74.05296       2.325406  72.53229       3.194867  75.76624       3.391145  -1.864037      2.708680  
1 1 1 23 1  11 o 43.05861 1.475082  18.53662       1.266106  16.62574       1.726027  20.76254       1.862881  -4.786633      2.950164  
1 1 1 23 1  12 o 81.58929 1.827308  65.73515       2.943398  58.21104       3.807909  76.90362       4.639342  -11.29512      3.654617  
1 1 1 23 1  13 o 41.35132 2.065593  17.23456       1.708300  17.23456       1.708300  ?              ?         ?              ?         
1 1 1 23 1  14 o 18.12295 2.757391  3.462262       0.9963225 2.432202       1.362189  4.647218       1.461023  -6.200317      5.514782  
1 1 1 23 1  15 o 18.97360 2.699629  3.849523       1.004276  2.724480       1.389741  5.079122       1.452885  -6.382066      5.399259  
1 1 1 23 1  16 o 13.40748 3.219686  1.811423       1.081733  2.597523       1.475107  0.8968683      1.591070  3.813047       6.439372  
1 1 1 23 1  17 o 28.70141 2.059719  8.576444       1.180628  8.094142       1.619350  9.123713       1.724971  -1.713591      4.119438  
1 1 1 23 1  18 o 11.82271 3.297927  1.032876       1.221452  -0.1067707     1.678942  2.314272       1.780297  -4.357403      6.595855  
1 1 1 23 1  19 o 12.98070 3.944098  1.569615       1.828037  1.060912       2.419945  2.245696       2.789794  -1.756466      7.888196  
1 1 1 23 1  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 2  0  o 64.03522 1.379417  41.46304       1.668629  42.16091       2.061714  40.13791       2.840993  0.000000       0.000000  
1 1 1 23 2  1  o 170.4876 1.923437  291.4746       6.426086  290.6003       10.15072  292.0594       8.301394  -0.5057983     3.846874  
1 1 1 23 2  2  o 94.48564 0.9202259 89.32230       1.738929  88.80285       2.450000  89.84967       2.468540  -0.5535507     1.840452  
1 1 1 23 2  3  o 89.66113 0.8874137 80.42001       1.591061  81.26433       2.275315  79.61211       2.225705  0.9202652      1.774827  
1 1 1 23 2  4  o 44.30888 1.035212  20.37448       0.8592963 17.43172       1.441797  21.99559       1.070118  -5.159424      2.070424  
1 1 1 23 2  5  o 27.50567 1.180339  7.493266       0.6422474 9.235433       0.9588566 6.075674       0.8649371 5.741018       2.360677  
1 1 1 23 2  6  o 144.4680 1.527183  209.1137       3.971517  209.0484       7.474731  209.1394       4.687995  -0.1471405     3.054366  
1 1 1 23 2  7  o 99.85252 1.875735  99.86344       3.745937  99.86344       3.745937  ?              ?         ?              ?         
1 1 1 23 2  8  o 98.27313 1.414371  96.66791       2.778498  100.2839       4.003815  93.30888       3.858967  3.541695       2.828742  
1 1 1 23 2  9  o 58.41969 1.275364  34.22837       1.487941  36.36760       2.104418  32.08976       2.104115  3.661289       2.550729  
1 1 1 23 2  10 o 91.92431 1.385464  84.66760       2.543879  82.41883       3.493168  87.20689       3.711970  -2.584854      2.770927  
1 1 1 23 2  11 o 85.76862 1.365571  73.62314       2.336894  70.11964       3.173955  77.77084       3.453441  -4.427620      2.731142  
1 1 1 23 2  12 f 33.76905 2.176750  11.57226       1.468007  11.72641       2.030510  11.40346       2.124853  0.4997826      4.353499  
1 1 1 23 2  13 o 36.90983 1.545857  13.77950       1.137348  14.27751       1.564378  13.22112       1.656475  1.449726       3.091714  
1 1 1 23 2  14 o 14.38813 3.131533  2.179018       0.9882028 1.934477       1.348442  2.462718       1.452401  -1.500353      6.263066  
1 1 1 23 2  15 o 13.92620 2.848274  2.112264       0.8525602 2.499168       1.140456  1.622138       1.283602  2.505304       5.696548  
1 1 1 23 2  16 o 16.69948 3.085810  3.062487       1.047994  2.469277       1.416167  3.780620       1.558163  -3.473243      6.171620  
1 1 1 23 2  17 o 11.04077 3.135588  0.7833274      1.076905  1.274844       1.509347  0.2736502      1.536978  1.816601       6.271175  
1 1 1 23 2  18 o 13.25092 3.464216  1.934963       1.211186  1.614047       1.608649  2.355004       1.840398  -1.708483      6.928431  
1 1 1 23 2  19 o 14.74623 4.171439  2.900728       1.868457  3.533697       2.721304  2.336199       2.569980  1.754515       8.342877  
1 1 1 23 2  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 3  0  o 51.55236 1.419662  26.69150       1.364865  26.65062       1.659712  26.77690       2.398785  0.000000       0.000000  
1 1 1 23 3  1  o 86.66827 1.009629  75.17311       1.749793  73.88412       2.479408  76.45213       2.469783  -1.481728      2.019259  
1 1 1 23 3  2  o 43.25731 0.8354574 18.69674       0.7221626 19.27753       1.048321  18.17221       0.9962516 1.276573       1.670915  
1 1 1 23 3  3  f 32.58166 0.9602069 10.65944       0.6235073 9.974223       0.9001583 11.29139       0.8644688 -2.022194      1.920414  
1 1 1 23 3  4  o 67.17130 0.9674379 45.28726       1.230973  44.71949       2.105510  45.58210       1.517303  -0.6561813     1.934876  
1 1 1 23 3  5  o 121.1456 1.198676  146.0099       2.850818  151.5545       4.521015  142.3501       3.673109  3.772865       2.397353  
1 1 1 23 3  6  o 36.67912 1.040693  13.65159       0.6406744 13.12250       1.327812  13.81214       0.7314520 -0.9567871     2.081386  
1 1 1 23 3  7  o 88.84696 1.472099  79.01559       2.615831  79.01559       2.615831  ?              ?         ?              ?         
1 1 1 23 3  8  o 19.42934 2.678070  3.901150       1.009000  4.066939       1.340758  3.684633       1.532213  1.364893       5.356139  
1 1 1 23 3  9  o 52.87125 1.280359  28.14130       1.347127  29.85058       1.853531  26.22752       1.961283  3.432274       2.560719  
1 1 1 23 3  10 o 48.54619 1.390013  23.65096       1.349093  23.65734       1.882553  23.64423       1.934312  0.1816177E-01  2.780025  
1 1 1 23 3  11 o 72.93625 1.342061  53.36892       1.953635  52.46570       2.668370  54.41246       2.868150  -1.311058      2.684121  
1 1 1 23 3  12 o 57.14661 1.698927  32.90806       1.938313  32.45031       2.655160  33.43035       2.836160  -0.8250694     3.397853  
1 1 1 23 3  13 o 30.63900 1.774597  8.953988       1.054518  6.751544       1.328129  12.71081       1.734594  -9.629732      3.549194  
1 1 1 23 3  14 o 16.19749 2.866975  2.546198       0.9774840 1.215809       1.250986  4.631799       1.566313  -9.175275      5.733950  
1 1 1 23 3  15 o 33.36059 2.931684  11.05555       1.888832  7.981441       2.387760  16.19563       3.087563  -11.85281      5.863369  
1 1 1 23 3  16 o 11.07251 2.773103  0.4667825      1.012302  2.410405       1.329605  -2.213546      1.561387  7.429794       5.546205  
1 1 1 23 3  17 o 30.67238 1.956217  9.728450       1.189351  9.337183       1.567971  10.25860       1.825168  -1.312525      3.912433  
1 1 1 23 3  18 o 13.48966 3.439733  2.115121       1.191653  2.353216       1.540153  1.759983       1.880992  1.079054       6.879466  
1 1 1 23 3  19 o 22.03501 4.308924  7.080719       1.957241  7.776633       2.916031  6.510160       2.640369  1.781740       8.617848  
1 1 1 23 3  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 4  0  o 43.56439 1.540382  18.87477       1.274779  18.28761       1.572614  19.99990       2.176934  0.000000       0.000000  
1 1 1 23 4  1  o 40.18998 1.152814  16.55664       0.8836099 14.78716       1.447878  17.60679       1.115407  -3.516586      2.305627  
1 1 1 23 4  2  o 43.15212 0.9294608 19.00541       0.7842029 16.42219       1.191204  20.98131       1.041810  -5.285961      1.858922  
1 1 1 23 4  3  o 79.39693 0.9009040 62.40464       1.404734  66.51038       2.237014  59.73164       1.804983  4.259064       1.801808  
1 1 1 23 4  4  o 53.11198 0.7780674 27.41660       0.7790049 30.59845       1.383614  25.93985       0.9426008 4.377071       1.556135  
1 1 1 23 4  5  f 94.45119 0.9945251 88.38496       1.832427  93.21885       2.970957  85.41702       2.327970  4.113541       1.989050  
1 1 1 23 4  6  o 63.30779 0.7986585 39.45406       0.9470401 41.92475       1.685966  38.31512       1.144698  2.838604       1.597317  
1 1 1 23 4  7  o 88.86441 1.150215  78.76940       1.996875  77.71211       2.554830  80.42945       3.201299  -1.504890      2.300430  
1 1 1 23 4  8  o 70.75506 1.083620  50.81096       1.486308  53.18084       1.907781  47.15121       2.370778  4.278290       2.167240  
1 1 1 23 4  9  o 79.86601 1.766321  63.91191       2.821381  63.91191       2.821381  ?              ?         ?              ?         
1 1 1 23 4  10 o 106.5893 1.500661  114.0097       3.197651  118.8870       4.582251  109.3800       4.464374  4.448112       3.001322  
1 1 1 23 4  11 o 69.39586 1.294961  48.25534       1.784879  47.47355       2.379246  49.26165       2.699346  -1.251099      2.589922  
1 1 1 23 4  12 o 52.20370 1.526772  26.38230       1.477591  24.76441       1.758811  30.26334       2.724076  -5.112057      3.053544  
1 1 1 23 4  13 o 19.17959 2.753327  4.098755       1.011366  5.013102       1.317429  2.786595       1.578210  6.049604       5.506654  
1 1 1 23 4  14 o 28.26655 2.401896  8.120331       1.357866  8.120331       1.357866  ?              ?         ?              ?         
1 1 1 23 4  15 o 12.20506 3.724682  -0.2997836     1.596465  -1.168021      1.953554  1.445835       2.770007  -5.103359      7.449365  
1 1 1 23 4  16 o 21.42296 3.189611  5.149547       1.319683  5.502807       1.791608  4.730541       1.951217  1.957264       6.379221  
1 1 1 23 4  17 o 20.83984 2.862643  4.985268       1.142397  5.950536       1.522704  3.742375       1.727859  5.794157       5.725286  
1 1 1 23 4  18 o 13.31481 3.247435  1.707190       1.145942  0.3570684      1.518521  3.493141       1.746503  -6.814734      6.494869  
1 1 1 23 4  19 f 10.62857 3.549139  -1.158469      1.982365  -1.907662      2.796987  -0.4022708     2.810032  -1.118513      7.098278  
1 1 1 23 4  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 5  0  o 234.8573 3.518954  556.1147       15.61372  559.3099       19.21601  549.9062       26.78582  0.000000       0.000000  
1 1 1 23 5  1  o 153.6554 1.746389  234.6717       5.217109  228.6816       6.601436  244.6371       8.514655  -5.111877      3.492778  
1 1 1 23 5  2  o 135.0710 1.218657  182.6270       3.292031  181.7506       4.636759  183.5178       4.674743  -0.6530304     2.437315  
1 1 1 23 5  3  o 74.82956 0.8315876 55.93165       1.202502  56.37290       1.977641  55.67281       1.514677  0.4581375      1.663175  
1 1 1 23 5  4  o 164.4487 1.490541  270.1240       4.726652  273.6290       7.822427  268.1082       5.932046  1.608292       2.981082  
1 1 1 23 5  5  o 144.4494 1.388880  209.3666       3.976182  205.8047       6.015540  212.1302       5.298757  -2.215591      2.777760  
1 1 1 23 5  6  f 111.3793 1.210799  124.0604       2.695597  128.9777       3.890471  119.5200       3.738376  4.240349       2.421599  
1 1 1 23 5  7  o 33.85793 1.351780  11.24097       0.9024603 12.92608       1.429994  10.12559       1.163404  4.123798       2.703559  
1 1 1 23 5  8  o 137.4744 1.606494  190.2605       4.341829  193.8937       5.672881  185.1224       6.746209  3.251221       3.212987  
1 1 1 23 5  9  o 60.20863 1.279747  35.48072       1.517128  31.79091       1.947843  41.17134       2.418978  -7.761700      2.559493  
1 1 1 23 5  10 o 23.31785 2.900986  5.479451       1.352896  5.479451       1.352896  ?              ?         ?              ?         
1 1 1 23 5  11 o 29.05508 1.905742  8.381355       1.086079  7.849292       1.387406  9.223407       1.745385  -2.301682      3.811485  
1 1 1 23 5  12 o 35.83437 1.605496  13.31716       1.108880  14.72280       1.439956  11.26895       1.738198  4.868824       3.210992  
1 1 1 23 5  13 f 14.95245 3.077399  2.327107       0.9547162 2.174191       1.212532  2.576557       1.548669  -1.275884      6.154797  
1 1 1 23 5  14 o 30.72532 1.751912  9.431045       1.052285  8.815175       1.335085  10.44113       1.709790  -2.510271      3.503823  
1 1 1 23 5  15 o 24.10027 4.413363  6.343638       1.933128  5.876832       2.230680  7.751641       3.874099  -2.332165      8.826726  
1 1 1 23 5  16 o 13.94180 3.478663  1.990619       1.236081  2.519964       1.561733  1.102931       2.022403  2.364752       6.957325  
1 1 1 23 5  17 o 26.81840 2.180077  7.420985       1.144375  6.864567       1.454230  8.325968       1.854609  -2.378788      4.360155  
1 1 1 23 5  18 o 7.681093 2.583596  -1.411291      1.072026  -0.9832300     1.363501  -2.104272      1.734856  -0.9896994E-01 5.167192  
1 1 1 23 5  19 o 11.72656 3.632719  -0.5361665     1.866770  3.081850       2.628504  -4.218244      2.651672  6.447974       7.265438  
1 1 1 23 5  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 6  0  o 113.4693 1.944047  126.0713       3.925903  135.9280       7.644444  122.5403       4.575368  0.000000       0.000000  
1 1 1 23 6  1  o 32.17481 1.042887  10.19897       0.6636317 8.313304       0.8841758 12.63177       1.004291  -6.707840      2.085774  
1 1 1 23 6  2  o 87.45389 1.078232  69.57867       1.640445  91.02318       3.452389  63.32500       1.864358  15.79277       2.156464  
1 1 1 23 6  3  o 108.1429 1.038809  117.7188       2.194882  113.7631       3.468824  120.3599       2.834447  -3.066498      2.077619  
1 1 1 23 6  4  o 68.49544 0.8676381 46.71740       1.173267  48.30554       1.824309  45.59718       1.532166  1.970634       1.735276  
1 1 1 23 6  5  f 205.9299 2.066334  424.6225       8.497735  411.2498       11.64051  439.8802       12.43391  -6.907547      4.132667  
1 1 1 23 6  6  o 125.7240 1.393638  161.1394       3.409962  144.6834       5.325263  172.5764       4.439511  -11.12946      2.787276  
1 1 1 23 6  7  o 99.58246 1.130773  99.31888       2.251313  101.0322       3.160799  97.55474       3.207389  1.747742       2.261547  
1 1 1 23 6  8  f 33.42704 1.205237  10.76329       0.7725674 9.798431       0.9476618 12.67525       1.334014  -4.286150      2.410475  
1 1 1 23 6  9  o 111.6550 1.477062  124.9752       3.297433  128.9316       4.726924  121.2250       4.602129  3.441971       2.954125  
1 1 1 23 6  10 o 48.51972 1.407992  23.92257       1.342088  25.50297       1.776791  21.82297       2.047961  3.816959       2.815984  
1 1 1 23 6  11 o 9.857165 2.959531  0.1171967      0.9889594 0.3595151      1.220630  -0.3457827     1.687219  -0.3398933     5.919063  
1 1 1 23 6  12 o 54.19764 1.323539  29.16339       1.393687  28.05161       1.757147  31.04906       2.288399  -2.689842      2.647079  
1 1 1 23 6  13 o 39.07964 1.489037  15.10391       1.121487  14.31294       1.393375  16.55885       1.889776  -2.764111      2.978074  
1 1 1 23 6  14 o 16.18018 3.006813  2.815777       0.9658270 2.662765       1.228240  3.063684       1.563382  -1.043859      6.013625  
1 1 1 23 6  15 o 25.76899 3.891196  6.734802       1.829155  5.339397       2.174266  10.11398       3.383518  -7.941923      7.782393  
1 1 1 23 6  16 o 11.74794 3.391389  0.8128038      1.245219  0.9339399      1.608157  0.6314305      1.967788  -0.2845955     6.782778  
1 1 1 23 6  17 o 18.08351 2.953900  3.844118       1.081791  4.794527       1.422771  2.541743       1.665512  6.288986       5.907799  
1 1 1 23 6  18 o 20.77764 3.063776  5.101452       1.202044  5.069816       1.492388  5.159883       2.028205  1.194651       6.127552  
1 1 1 23 6  19 o 13.30375 3.891447  1.918282       1.716211  0.9733489      2.398221  2.910123       2.457026  -2.703491      7.782895  
1 1 1 23 6  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 7  0  o 105.1337 1.848792  112.8148       3.589387  105.6767       6.335429  116.1892       4.355936  0.000000       0.000000  
1 1 1 23 7  1  o 45.44430 0.8159317 20.42926       0.7262414 21.77715       1.166275  19.57558       0.9281523 2.417381       1.631863  
1 1 1 23 7  2  f 181.5903 1.633009  331.8824       5.788018  323.3303       9.192697  337.4997       7.450208  -3.972794      3.266017  
1 1 1 23 7  3  o 180.5686 1.628039  326.4191       5.689932  327.6342       9.310369  325.6948       7.188585  0.4510040      3.256078  
1 1 1 23 7  4  o 17.25780 1.920876  3.615074       0.5507799 1.778126       0.9325057 4.599259       0.6825610 -8.356479      3.841753  
1 1 1 23 7  5  o 62.32310 0.9399570 39.39404       1.057655  37.63938       1.958218  40.11672       1.256728  -2.005085      1.879914  
1 1 1 23 7  6  o 185.5420 2.010216  334.6729       6.764788  371.1082       12.87854  320.7891       7.949859  13.25787       4.020432  
1 1 1 23 7  7  o 22.73636 2.248966  4.848089       0.8473572 4.599654       0.9488404 5.826670       1.883152  -2.629103      4.497931  
1 1 1 23 7  8  o 130.4582 1.541786  171.7990       3.966130  178.3864       5.248615  163.0307       6.055413  5.931824       3.083572  
1 1 1 23 7  9  o 59.77771 1.052553  35.86988       1.255671  33.86153       1.798996  37.77784       1.753453  -3.278267      2.105106  
1 1 1 23 7  10 o 13.54580 2.140929  1.909288       0.5598701 1.837789       0.7319980 2.010076       0.8690855 -0.5873957     4.281859  
1 1 1 23 7  11 o 9.407034 2.763374  -0.1310137     0.9740160 1.000249       1.175259  -2.612328      1.740576  3.237058       5.526747  
1 1 1 23 7  12 o 18.50239 2.863595  3.326370       0.9851335 2.650060       1.191980  4.783867       1.749846  -5.426285      5.727191  
1 1 1 23 7  13 o 30.65110 1.767569  9.307892       1.040688  8.776783       1.286330  10.31418       1.770605  -2.370214      3.535138  
1 1 1 23 7  14 o 11.71714 3.106938  0.9798297      0.9299288 0.6236696      1.117424  1.782175       1.677166  -3.804923      6.213877  
1 1 1 23 7  15 o 37.77012 2.906121  14.14562       1.971150  13.01875       2.289506  17.37354       3.874957  -4.645378      5.812243  
1 1 1 23 7  16 o 30.86647 2.243367  9.705980       1.368322  8.443241       1.777148  11.54449       2.144369  -4.777390      4.486734  
1 1 1 23 7  17 o 11.77387 3.170586  0.7973985      0.9893206 0.1349118      1.173665  2.423578       1.838822  -5.954533      6.341172  
1 1 1 23 7  18 o 11.38078 3.248878  1.154246       1.134021  1.236471       1.492608  1.041978       1.744095  -0.3112221E-01 6.497756  
1 1 1 23 7  19 o 10.40884 3.437539  -0.8300912     1.805535  0.2898713      2.417126  -2.243827      2.715699  1.518837       6.875078  
1 1 1 23 7  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 8  0  o 174.0129 2.452806  309.9822       7.634576  289.8430       14.23730  318.1106       9.044987  0.000000       0.000000  
1 1 1 23 8  1  o 154.2596 1.468337  238.3717       4.482280  238.0152       6.852022  238.6383       5.926113  -0.2361755     2.936674  
1 1 1 23 8  2  o 89.98803 1.046076  81.49168       1.737899  79.86548       3.116600  82.22553       2.093623  -1.337616      2.092151  
1 1 1 23 8  3  o 122.9935 1.167170  150.1314       2.754229  155.9383       4.639527  146.9712       3.422561  3.609795       2.334340  
1 1 1 23 8  4  o 70.69305 0.8935316 50.10182       1.257636  48.90644       1.856872  51.11486       1.709397  -1.565407      1.787063  
1 1 1 23 8  5  o 69.02373 0.9597265 47.53582       1.202606  48.01669       2.237752  47.34054       1.426043  0.4681778      1.919453  
1 1 1 23 8  6  o 13.50582 2.180539  1.852603       0.5269063 1.990907       1.013206  1.801335       0.6168832 0.6225595      4.361079  
1 1 1 23 8  7  o 18.94639 1.569086  3.498616       0.5624769 3.901690       0.9912117 3.307172       0.6831165 1.552511       3.138172  
1 1 1 23 8  8  o 83.92235 1.172168  71.68389       1.925349  77.33145       2.539805  64.05340       2.952202  7.929710       2.344337  
1 1 1 23 8  9  o 76.58803 1.102857  58.76875       1.676871  58.80826       2.529881  58.73778       2.239491  0.2767181E-01  2.205715  
1 1 1 23 8  10 o 11.45542 2.561129  1.347001       0.6435127 1.545036       0.7665041 0.8741134      1.184465  1.374971       5.122259  
1 1 1 23 8  11 o 24.84482 1.252170  5.796323       0.5887294 5.051050       0.7079268 7.467628       1.060128  -4.819187      2.504339  
1 1 1 23 8  12 f 12.29169 3.009891  1.398045       0.9687175 2.096408       1.190093  0.2674724E-01  1.667654  3.627872       6.019783  
1 1 1 23 8  13 o 28.40139 1.796780  7.935565       0.9832484 7.289713       1.215564  9.157906       1.672276  -3.144735      3.593560  
1 1 1 23 8  14 o 21.05199 2.402858  4.177512       0.9405690 3.020663       1.141468  6.624273       1.660051  -8.553480      4.805716  
1 1 1 23 8  15 o 10.48779 2.939322  0.5780718      0.9921165 1.378845       1.239419  -0.8501726     1.655254  2.849439       5.878645  
1 1 1 23 8  16 o 15.55791 3.087196  2.695847       0.9544171 2.714098       1.147753  2.654942       1.718289  0.2780447      6.174392  
1 1 1 23 8  17 o 13.01456 2.971948  1.881531       1.007373  2.801257       1.216954  -0.1205790     1.795515  5.584774       5.943896  
1 1 1 23 8  18 f 35.46528 1.942902  13.78081       1.330655  14.99247       1.730585  12.02843       2.081217  4.630913       3.885803  
1 1 1 23 8  19 o 27.52796 3.682394  10.11268       1.978304  10.40706       2.709736  9.776699       2.894924  2.208679       7.364787  
1 1 1 23 8  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 9  0  o 131.2546 1.912332  174.0771       4.419147  169.8428       8.547153  175.6220       5.162758  0.000000       0.000000  
1 1 1 23 9  1  o 23.62977 1.328261  5.863615       0.5978529 4.199898       0.8996885 7.179199       0.8000402 -6.307304      2.656523  
1 1 1 23 9  2  o 42.28859 0.8448980 18.01887       0.6949128 17.33398       1.110674  18.45945       0.8908112 -1.335335      1.689796  
1 1 1 23 9  3  o 64.53970 0.8276899 41.22202       1.035986  43.48944       1.706333  39.89821       1.303794  2.773685       1.655380  
1 1 1 23 9  4  o 82.63132 0.9305555 68.20022       1.516921  69.07092       2.354056  67.58195       1.983681  0.8917160      1.861111  
1 1 1 23 9  5  f 153.3236 1.692223  231.5960       4.799754  246.2482       8.745628  225.2806       5.741730  6.689560       3.384446  
1 1 1 23 9  6  o 14.34760 2.287724  2.191145       0.6668572 2.966164       0.9086307 1.286343       0.9817669 5.694567       4.575449  
1 1 1 23 9  7  o 156.8003 1.623938  245.0935       5.068019  233.1103       6.779791  260.2698       7.629791  -8.612473      3.247877  
1 1 1 23 9  8  o 80.88657 1.274387  64.73883       1.868254  63.65885       2.206331  67.47527       3.512025  -2.290665      2.548773  
1 1 1 23 9  9  o 57.21974 1.112073  32.42833       1.263273  35.96864       1.935451  29.80062       1.667436  5.371273       2.224146  
1 1 1 23 9  10 o 14.32251 2.852535  2.072551       0.8127359 1.933495       0.9894440 2.360978       1.424995  -1.507438      5.705070  
1 1 1 23 9  11 o 9.493361 2.806919  0.9953377E-01  0.8481480 0.6488183      1.473410  -0.1726731     1.037229  3.052992       5.613839  
1 1 1 23 9  12 o 36.85412 1.171125  13.56605       0.8558100 14.25164       1.311503  13.05762       1.129405  1.593346       2.342250  
1 1 1 23 9  13 o 10.45290 2.992642  0.4356462      0.9229174 0.1298778      1.121168  1.078339       1.625461  -3.306035      5.985284  
1 1 1 23 9  14 o 23.78651 2.367161  6.051785       0.9937803 6.262384       1.195347  5.580431       1.788296  2.048687       4.734322  
1 1 1 23 9  15 o 37.12083 1.621347  14.24642       1.154857  14.78554       1.459184  13.34259       1.889350  2.129581       3.242693  
1 1 1 23 9  16 o 17.21692 3.147797  3.246894       1.038990  2.994697       1.259784  3.783283       1.837236  -1.655909      6.295593  
1 1 1 23 9  17 o 11.22880 3.138598  0.9730729      1.048901  1.434700       1.247588  -0.1400090     1.937266  1.330606       6.277196  
1 1 1 23 9  18 o 10.74353 3.016865  0.2670523      1.086238  -1.260930      1.420993  2.415113       1.684829  -6.522752      6.033731  
1 1 1 23 9  19 o 11.83756 5.251965  1.017738       2.487921  1.017738       2.487921  ?              ?         ?              ?         
1 1 1 23 9  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 10 0  o 23.27348 2.129896  5.511745       0.9693934 6.219300       1.507858  5.013283       1.265601  0.000000       0.000000  
1 1 1 23 10 1  o 110.4692 1.272982  123.1933       2.666190  125.4582       3.299870  118.9348       4.524900  2.991234       2.545965  
1 1 1 23 10 2  o 54.61982 0.7934817 29.87676       0.8657894 31.36492       1.219872  28.36625       1.229001  2.745224       1.586963  
1 1 1 23 10 3  o 188.5885 1.886240  356.1082       7.107380  346.2316       9.789908  367.1152       10.33493  -5.509796      3.772480  
1 1 1 23 10 4  o 70.90319 0.8811739 50.53467       1.240113  48.19936       1.846779  52.45243       1.673559  -3.003464      1.762348  
1 1 1 23 10 5  o 84.63057 0.9581437 69.15422       1.560318  80.80526       2.668871  63.10390       1.923243  10.43597       1.916287  
1 1 1 23 10 6  o 145.5555 1.493817  212.2316       4.347837  208.0982       6.077954  216.5634       6.222122  -2.900726      2.987633  
1 1 1 23 10 7  o 56.78014 0.8668603 32.79860       0.9682201 27.48310       1.419086  37.42813       1.324357  -8.760391      1.733721  
1 1 1 23 10 8  o 56.32602 1.022097  31.27809       1.122213  29.70364       1.419299  33.90417       1.832999  -3.709515      2.044194  
1 1 1 23 10 9  o 41.59962 1.091244  17.64518       0.8911355 19.55680       1.196214  15.26132       1.335824  5.172630       2.182487  
1 1 1 23 10 10 o 50.41523 1.098771  25.49689       1.107193  26.62707       1.569802  24.37814       1.561844  2.229671       2.197542  
1 1 1 23 10 11 o 27.58850 1.392318  7.553607       0.7407256 7.287469       0.9240376 8.032103       1.239012  -1.303761      2.784636  
1 1 1 23 10 12 o 20.33157 1.491996  3.566409       0.5349782 2.994081       0.6076975 5.537672       1.127813  -6.153906      2.983991  
1 1 1 23 10 13 f 54.73988 1.086214  30.22794       1.185959  28.34276       1.702026  32.00700       1.653427  -3.356594      2.172428  
1 1 1 23 10 14 o 21.31007 1.603545  4.297498       0.6047527 5.300324       1.223436  3.973240       0.6956878 2.936094       3.207091  
1 1 1 23 10 15 o 17.39220 3.080182  3.082388       1.004656  2.570313       1.197690  4.298151       1.845448  -4.217059      6.160365  
1 1 1 23 10 16 o 31.49704 2.298976  11.56248       1.245742  13.22985       1.507145  7.966731       2.213264  8.912247       4.597953  
1 1 1 23 10 17 o 17.70506 3.101304  3.493858       1.019370  3.339381       1.209889  3.871800       1.892464  -0.6971397     6.202607  
1 1 1 23 10 18 o 14.67166 4.077848  1.944569       1.917701  -0.4127806     2.569226  4.910124       2.881664  -7.248302      8.155697  
1 1 1 23 10 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 10 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 11 0  o 82.99014 1.500804  68.03098       2.345068  72.13506       4.116940  66.05981       2.853186  0.000000       0.000000  
1 1 1 23 11 1  o 34.34293 0.9519230 11.79525       0.6525345 12.84699       0.9361976 10.80153       0.9100060 2.977352       1.903846  
1 1 1 23 11 2  o 38.71501 0.8494620 14.99888       0.6566790 14.95449       0.9554726 15.03861       0.9040300 -0.1097870     1.698924  
1 1 1 23 11 3  o 103.6863 1.373895  107.6322       2.847746  108.6916       4.098895  106.6436       3.959370  0.9823532      2.747790  
1 1 1 23 11 4  o 119.2072 1.100050  141.9541       2.618272  147.0628       3.838775  137.5102       3.580312  3.998413       2.200099  
1 1 1 23 11 5  o 85.80765 0.9551833 73.97038       1.627822  71.07971       2.423106  76.34798       2.197562  -3.076698      1.910367  
1 1 1 23 11 6  o 30.37584 1.126825  9.255351       0.6771264 9.118855       1.032785  9.358259       0.8967599 -0.3992615     2.253649  
1 1 1 23 11 7  o 88.66551 1.005579  78.49632       1.770493  80.36682       2.682238  77.05206       2.356903  1.856911       2.011157  
1 1 1 23 11 8  o 26.88808 1.719467  7.679123       0.8283182 8.315425       0.9984856 6.274727       1.483388  3.834862       3.438935  
1 1 1 23 11 9  o 48.12178 1.112236  22.81429       1.029558  21.83305       1.277852  24.62974       1.738147  -2.872543      2.224472  
1 1 1 23 11 10 o 34.79681 1.350872  12.23066       0.9319530 12.73802       1.254361  11.60551       1.392379  1.644314       2.701744  
1 1 1 23 11 11 o 51.19132 1.560736  27.61360       1.320875  28.65778       1.510342  24.21739       2.723855  4.524246       3.121471  
1 1 1 23 11 12 o 40.67179 0.9857861 16.68472       0.7595140 16.86523       0.9374292 16.33984       1.295788  0.6915779      1.971572  
1 1 1 23 11 13 o 41.07948 1.206263  16.99078       0.9897934 17.25984       1.441185  16.75055       1.361749  0.6020927      2.412525  
1 1 1 23 11 14 o 32.80765 1.318094  10.76213       0.8527788 11.55432       1.340323  10.22332       1.105374  1.961294       2.636187  
1 1 1 23 11 15 o 21.48020 1.975054  4.703366       0.8398689 5.157474       1.303448  4.380984       1.098247  1.690496       3.950108  
1 1 1 23 11 16 o 24.13997 1.718255  5.924346       0.8188583 6.513655       1.285852  5.522317       1.062057  1.911291       3.436509  
1 1 1 23 11 17 o 23.80872 2.472212  5.850087       1.147964  4.802661       1.443670  7.651228       1.893128  -5.443974      4.944424  
1 1 1 23 11 18 f 18.02995 4.255791  4.146299       1.800188  2.642672       2.254079  6.794263       2.991266  -6.947800      8.511581  
1 1 1 23 11 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 11 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 12 0  o 118.6396 1.902622  140.3784       4.246912  143.4777       7.407336  138.8608       5.183469  0.000000       0.000000  
1 1 1 23 12 1  o 76.92087 0.8407357 59.19080       1.293041  58.84470       1.805081  59.55557       1.853137  -0.4610062     1.681471  
1 1 1 23 12 2  o 75.74925 0.9094607 57.26484       1.358273  56.53532       1.772128  58.30373       2.114744  -1.158806      1.818921  
1 1 1 23 12 3  o 178.7299 1.687702  319.0848       5.951913  313.6556       7.773644  326.7766       9.252819  -3.599213      3.375404  
1 1 1 23 12 4  o 32.69650 1.064807  10.68414       0.6860306 10.80005       1.068447  10.60284       0.8948584 0.2958755      2.129614  
1 1 1 23 12 5  o 119.7592 1.285655  143.4809       3.077125  147.8006       4.457273  139.5475       4.253310  3.437027       2.571311  
1 1 1 23 12 6  o 62.06638 0.9435257 38.55658       1.169975  40.96279       1.667304  36.22239       1.642171  3.817989       1.887051  
1 1 1 23 12 7  o 107.3623 1.117697  114.5878       2.354176  111.2681       3.026427  119.6743       3.746174  -3.882248      2.235394  
1 1 1 23 12 8  o 36.15398 0.9832095 13.35526       0.6928113 16.54741       0.9705632 10.03887       0.9892709 9.002167       1.966419  
1 1 1 23 12 9  o 29.58246 1.526453  9.047614       0.8442752 9.584156       1.043138  8.028666       1.437526  2.668274       3.052906  
1 1 1 23 12 10 o 55.30713 1.026118  30.58501       1.110016  30.24550       1.424123  31.11055       1.771831  -0.7478867     2.052235  
1 1 1 23 12 11 o 61.97617 1.059695  38.46195       1.251427  38.28037       1.548390  38.80397       2.125052  -0.3574600     2.119391  
1 1 1 23 12 12 o 9.636626 2.290717  0.8476989      0.6119958 1.464218       0.7169368 -0.8080566     1.174912  4.269554       4.581434  
1 1 1 23 12 13 o 32.67764 1.623273  10.44104       0.7351711 10.29127       0.7903652 11.40235       2.002436  -1.333282      3.246546  
1 1 1 23 12 14 o 28.30401 2.618396  5.600021       1.079721  4.585091       1.148132  13.36334       3.175392  -14.27505      5.236792  
1 1 1 23 12 15 o 9.954330 2.462646  0.7736101      0.7224827 -0.7856095     1.205036  1.648631       0.9027252 -4.805095      4.925292  
1 1 1 23 12 16 o 29.09866 1.199057  8.586287       0.6972016 9.100247       0.9979348 8.096214       0.9744679 1.715120       2.398114  
1 1 1 23 12 17 o 8.798460 2.410739  0.6299987      0.6014447 0.5154819      0.9422588 0.7087356      0.7813131 -0.9858608E-01 4.821478  
1 1 1 23 12 18 o 12.22020 2.705892  1.445935       0.6962745 2.713893       1.308238  0.9448258      0.8224322 5.346122       5.411783  
1 1 1 23 12 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 12 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 13 0  o 20.17599 2.657701  4.441289       0.8533481 4.545447       1.612262  4.400754       1.005781  0.000000       0.000000  
1 1 1 23 13 1  o 122.6886 1.131949  150.6433       2.776971  149.1208       3.880728  152.2411       3.975446  -1.268669      2.263897  
1 1 1 23 13 2  o 48.29260 1.087558  23.45154       1.038293  22.59368       1.577760  24.10684       1.378970  -1.572849      2.175117  
1 1 1 23 13 3  o 108.1106 1.307051  117.5755       2.794688  120.8564       3.716243  113.3049       4.239897  3.513176       2.614101  
1 1 1 23 13 4  o 84.09062 0.9602483 70.76288       1.598204  70.83516       2.442988  70.70880       2.113129  0.6491852E-01  1.920497  
1 1 1 23 13 5  o 62.29929 0.8753008 39.02518       1.080819  37.33214       1.621570  40.37858       1.449827  -2.450077      1.750602  
1 1 1 23 13 6  o 35.54877 1.343985  11.93054       0.9037576 10.58864       1.087915  14.91879       1.623467  -6.064098      2.687970  
1 1 1 23 13 7  o 74.84778 0.8552666 56.06149       1.280064  57.58533       1.824204  54.58328       1.796679  2.004372       1.710533  
1 1 1 23 13 8  o 34.56153 0.9836808 12.01919       0.6768125 13.05574       0.9440693 10.92310       0.9708055 3.086941       1.967362  
1 1 1 23 13 9  o 31.87108 1.690121  8.997032       0.8148732 8.428827       0.8844275 12.18925       2.096310  -5.748884      3.380242  
1 1 1 23 13 10 o 38.04240 1.251371  15.31189       0.8299354 16.24237       0.9782493 12.92204       1.567767  4.434235       2.502742  
1 1 1 23 13 11 o 24.39475 1.527153  5.413157       0.6365756 4.940176       0.7176443 7.158982       1.378758  -4.431435      3.054307  
1 1 1 23 13 12 o 46.41288 1.058063  21.92434       0.8362444 22.17841       0.9610059 21.13197       1.697128  1.248932       2.116126  
1 1 1 23 13 13 o 29.43254 1.290095  8.256192       0.6170723 7.926229       0.6876863 9.619885       1.398028  -2.685816      2.580189  
1 1 1 23 13 14 o 15.69538 2.799771  2.864351       0.8997054 3.436311       1.087625  1.624627       1.601248  5.150006       5.599543  
1 1 1 23 13 15 o 64.19575 1.399307  40.37509       1.625743  45.38026       3.111057  38.49483       1.906813  4.891445       2.798614  
1 1 1 23 13 16 o 15.85499 2.185565  2.850720       0.6650599 3.824727       0.9028808 1.695396       0.9833345 6.836910       4.371131  
1 1 1 23 13 17 o 12.38293 2.469697  1.717087       0.6439791 1.353297       0.8741100 2.148927       0.9523612 -2.684790      4.939394  
1 1 1 23 13 18 o 12.60061 2.810086  1.785753       0.7603701 2.406284       1.306569  1.467966       0.9350142 2.664039       5.620173  
1 1 1 23 13 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 13 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 14 0  o 116.9561 1.768411  138.1522       3.636251  135.0397       7.050611  139.2800       4.244249  0.000000       0.000000  
1 1 1 23 14 1  o 107.9863 1.120019  117.0881       2.402514  120.0567       3.238716  113.4556       3.582583  3.067871       2.240038  
1 1 1 23 14 2  o 204.5661 1.926714  419.2894       7.785203  416.4846       10.22057  423.1661       12.01592  -1.527451      3.853428  
1 1 1 23 14 3  o 88.22330 0.9209315 77.89319       1.624826  77.88177       2.283577  77.90488       2.312395  -0.1224518E-01 1.841863  
1 1 1 23 14 4  o 60.46096 1.075522  36.80153       1.277388  35.45139       1.984358  37.75689       1.669235  -1.917835      2.151044  
1 1 1 23 14 5  o 45.96822 0.9856886 21.17937       0.8979530 20.93672       1.361013  21.36642       1.194930  -0.4730797     1.971377  
1 1 1 23 14 6  o 103.4813 1.435190  107.1376       2.967652  112.6453       4.303130  102.1420       4.098157  5.063423       2.870380  
1 1 1 23 14 7  o 112.7940 1.311046  124.8665       2.726026  120.8530       3.248382  134.4233       5.012637  -5.897308      2.622092  
1 1 1 23 14 8  o 40.12720 1.000039  16.01168       0.7800346 15.63752       0.9871597 16.63366       1.272749  -1.222668      2.000077  
1 1 1 23 14 9  o 12.99574 2.258937  1.783591       0.5817797 1.858865       0.7846704 1.691693       0.8669974 0.6070118      4.517875  
1 1 1 23 14 10 o 40.50699 1.219930  16.76415       0.9200766 17.29348       1.123376  15.68553       1.603609  2.044575       2.439860  
1 1 1 23 14 11 o 35.79696 1.221129  11.87429       0.7347038 11.10936       0.8254035 14.79231       1.612124  -5.024185      2.442258  
1 1 1 23 14 12 o 29.21469 1.379288  8.383460       0.6688516 8.202958       0.7543721 9.046895       1.446252  -1.276167      2.758576  
1 1 1 23 14 13 o 16.76136 2.283300  3.562459       0.5641018 3.916516       0.6256381 2.023581       1.304334  5.908154       4.566600  
1 1 1 23 14 14 o 45.72870 1.180620  21.13952       1.077184  21.44033       1.479446  20.80014       1.571450  0.7273674      2.361240  
1 1 1 23 14 15 o 16.50738 2.791040  3.171417       0.9318194 1.994302       1.543071  3.847044       1.169041  -5.468802      5.582080  
1 1 1 23 14 16 o 10.40302 2.557603  1.077419       0.6434588 1.067706       0.8278341 1.092243       1.022735  -0.3964767     5.115206  
1 1 1 23 14 17 o 15.51653 2.300906  2.754665       0.7110190 3.854704       1.001862  1.638355       1.009244  7.084456       4.601811  
1 1 1 23 14 18 o 23.31863 1.886243  5.769188       0.8689340 6.483470       1.363336  5.280518       1.127655  2.231964       3.772485  
1 1 1 23 14 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 15 0  o 42.60993 1.454994  17.64363       1.117481  19.84440       2.136111  16.81439       1.311216  0.000000       0.000000  
1 1 1 23 15 1  o 82.36559 0.9792959 67.99183       1.595412  68.53815       2.110114  67.26272       2.437675  0.7843475      1.958592  
1 1 1 23 15 2  o 80.99330 0.9576346 65.07678       1.525458  62.64109       1.968498  68.73831       2.413541  -3.750275      1.915269  
1 1 1 23 15 3  f 16.94025 1.998931  2.946788       0.6506106 2.258741       0.9042315 3.685354       0.9368394 -4.460287      3.997862  
1 1 1 23 15 4  o 49.69052 1.027462  24.74149       1.019845  25.33606       1.418419  24.10515       1.467383  1.240295       2.054924  
1 1 1 23 15 5  o 113.8635 1.178294  129.4026       2.647635  132.4578       4.113801  127.2422       3.459316  2.261932       2.356589  
1 1 1 23 15 6  f 43.95736 1.143230  19.48658       0.9933755 20.34513       1.325708  18.38731       1.500088  2.235691       2.286460  
1 1 1 23 15 7  o 101.2124 1.081938  102.6563       2.179044  102.5155       3.247744  102.7715       2.938653  -0.1465302     2.163875  
1 1 1 23 15 8  o 20.97416 1.557940  4.389606       0.6381418 4.285398       0.8141021 4.555674       1.027706  -0.6220322     3.115880  
1 1 1 23 15 9  o 24.00188 1.443826  5.790796       0.6818786 7.262128       0.9951373 4.488574       0.9362029 5.769854       2.887653  
1 1 1 23 15 10 o 15.82102 2.766852  2.471280       0.8713862 1.687574       1.106654  3.750004       1.413591  -6.000116      5.533704  
1 1 1 23 15 11 f 59.44263 1.043604  35.96138       1.113818  36.60289       1.318834  34.36565       2.080035  1.982426       2.087209  
1 1 1 23 15 12 o 65.85331 1.051572  43.57914       1.238837  43.53533       1.456534  43.69370       2.355590  0.4798889E-01  2.103145  
1 1 1 23 15 13 o 8.986767 2.569903  0.3415612      0.5631909 0.2420380      0.6187801 0.8220007      1.359544  -3.848990      5.139805  
1 1 1 23 15 14 o 10.04280 2.568591  0.8312343      0.5498518 0.7716383      0.6092101 1.093124       1.277081  -2.411773      5.137182  
1 1 1 23 15 15 o 52.71194 1.207629  28.02409       1.269278  26.01443       1.716478  30.44890       1.885458  -4.134663      2.415258  
1 1 1 23 15 16 f 10.42727 2.632490  0.7671072      0.7140673 0.1433525      0.8954108 1.856803       1.183500  -5.142816      5.264980  
1 1 1 23 15 17 o 10.70398 2.524123  1.246140       0.7009035 1.869772       0.9013972 0.2924652      1.114685  4.065925       5.048246  
1 1 1 23 15 18 o 12.34187 2.864336  1.484562       0.8569099 3.119830       1.423317  0.5548401      1.073207  6.723438       5.728672  
1 1 1 23 15 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 16 0  o 87.69815 1.501105  75.85899       2.267454  79.63094       4.614304  74.65822       2.603469  0.000000       0.000000  
1 1 1 23 16 1  o 104.9025 1.028582  110.1546       2.157923  110.2205       3.038186  110.0875       3.065526  0.6433105E-01  2.057164  
1 1 1 23 16 2  o 80.92796 0.9029660 65.39124       1.459744  68.87533       2.128079  62.29512       2.006096  4.061790       1.805932  
1 1 1 23 16 3  o 55.12075 1.220939  30.22265       1.341202  33.81938       1.987184  27.21351       1.817630  5.985092       2.441878  
1 1 1 23 16 4  o 136.9953 1.355665  188.0653       3.674594  188.2879       4.856097  187.7670       5.620658  0.2272339      2.711329  
1 1 1 23 16 5  o 62.26944 0.9484264 38.44127       1.147446  37.30046       1.449019  40.35952       1.878966  -2.439865      1.896853  
1 1 1 23 16 6  o 79.88759 1.064335  63.90309       1.694641  63.66150       2.300605  64.18967       2.505674  -0.3193665     2.128670  
1 1 1 23 16 7  o 28.14499 1.316960  7.996102       0.7234303 8.183722       0.9328375 7.712995       1.145886  0.8543663      2.633920  
1 1 1 23 16 8  o 66.23189 1.095862  43.99166       1.322369  44.00412       1.573894  43.96177       2.438479  0.1042786      2.191723  
1 1 1 23 16 9  o 71.69048 0.9438215 51.57097       1.347638  51.00406       1.993076  52.04847       1.829155  -0.7438889     1.887643  
1 1 1 23 16 10 o 75.37668 1.117493  57.51876       1.664071  53.50273       2.506075  60.68596       2.225529  -4.799431      2.234986  
1 1 1 23 16 11 o 22.24874 1.785467  4.502092       0.6887780 4.052445       0.7806188 6.082815       1.463628  -4.389112      3.570934  
1 1 1 23 16 12 o 11.67604 2.693412  0.9685276      0.6297135 0.6063467      0.7072854 2.353292       1.382993  -6.257220      5.386823  
1 1 1 23 16 13 o 16.20119 2.341645  2.588508       0.6230376 2.455707       0.6989995 3.101831       1.374268  -1.303996      4.683289  
1 1 1 23 16 14 o 10.04038 2.632697  0.5124778      0.5833929 0.2386558      0.6456838 1.729749       1.361380  -5.811217      5.265393  
1 1 1 23 16 15 o 15.64812 2.604548  2.657823       0.7685513 2.529017       0.9427313 2.913071       1.327092  -0.8226967     5.209095  
1 1 1 23 16 16 o 10.37259 2.721030  0.9495518      0.7168095 0.8544391      0.8755730 1.142859       1.248237  -1.514544      5.442060  
1 1 1 23 16 17 o 16.19934 2.759025  3.083883       0.8831362 3.437217       1.297931  2.779277       1.205114  1.777053       5.518050  
1 1 1 23 16 18 o 11.68900 3.026244  1.692771       0.9892899 -0.5167218     2.255398  2.219146       1.100842  -3.444345      6.052487  
1 1 1 23 16 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 17 0  o 90.55377 1.551137  80.47181       2.399904  85.66148       4.958648  78.88435       2.742506  0.000000       0.000000  
1 1 1 23 17 1  o 107.3295 1.128972  115.2706       2.396291  114.8911       3.158702  115.7852       3.678000  -0.3965836     2.257943  
1 1 1 23 17 2  o 31.64062 1.344830  9.903019       0.8243136 9.544169       1.034817  10.52608       1.363551  -1.536404      2.689660  
1 1 1 23 17 3  o 122.0621 1.488232  149.8141       3.583352  146.2779       5.510081  152.4058       4.717079  -2.552330      2.976465  
1 1 1 23 17 4  f 120.0136 1.235397  143.8976       2.931913  146.7615       4.517076  141.8128       3.854099  2.029709       2.470793  
1 1 1 23 17 5  o 61.01457 0.8810784 36.94141       1.067703  34.69221       1.413302  39.93183       1.629618  -4.284859      1.762157  
1 1 1 23 17 6  o 89.28905 1.033130  79.98222       1.841070  77.91553       2.671341  81.85199       2.540886  -2.212524      2.066261  
1 1 1 23 17 7  o 69.19000 1.003772  47.27016       1.322422  45.77755       1.624720  50.20006       2.276302  -3.152992      2.007545  
1 1 1 23 17 8  o 29.92513 1.358784  8.199828       0.7741277 6.453565       0.9366084 11.96470       1.375239  -9.153709      2.717567  
1 1 1 23 17 9  o 49.13445 1.096000  24.28826       1.052900  24.52046       1.356936  23.93693       1.669131  0.6294441      2.191999  
1 1 1 23 17 10 o 22.23695 1.849376  5.133961       0.8001546 3.987661       1.172676  6.132589       1.094539  -4.840454      3.698752  
1 1 1 23 17 11 o 11.88693 2.047366  1.502309       0.4849406 1.733886       0.6833925 1.267427       0.6882524 1.843683       4.094731  
1 1 1 23 17 12 o 7.119438 2.332830  -0.7359511     0.7145913 -0.7243821     0.8479200 -0.7643079     1.327514  -1.948528      4.665661  
1 1 1 23 17 13 o 45.79507 1.432105  19.54969       1.068694  18.42741       1.188208  24.30168       2.445000  -6.005501      2.864210  
1 1 1 23 17 14 o 11.79995 2.741595  1.032986       0.7631711 0.3160787      0.9263996 2.547017       1.346276  -6.745283      5.483191  
1 1 1 23 17 15 o 44.23721 1.248066  19.73171       1.032345  19.46677       1.251218  20.29663       1.827067  -0.6836395     2.496133  
1 1 1 23 17 16 o 22.76355 2.177058  6.085290       0.8680567 7.791052       1.139151  3.723165       1.340520  9.419075       4.354115  
1 1 1 23 17 17 o 19.50807 2.925712  4.869946       1.059381  5.558116       1.290895  3.450550       1.853936  6.409292       5.851424  
1 1 1 23 17 18 o 9.748286 4.099929  0.000000       0.000000  ?              ?         0.6950477      1.358824  ?              ?         
1 1 1 23 17 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 18 0  o 24.08108 2.942345  6.402928       1.170525  6.066373       2.061422  6.563077       1.422007  0.000000       0.000000  
1 1 1 23 18 1  o 61.32879 0.8970024 37.60608       1.099663  38.80787       1.586745  36.49545       1.525387  1.883308       1.794005  
1 1 1 23 18 2  o 98.18701 1.091849  96.61484       2.127170  95.81252       3.209762  97.24317       2.840514  -0.7433395     2.183698  
1 1 1 23 18 3  o 132.9841 1.236093  177.1407       3.287528  178.8919       4.666048  175.4146       4.632666  1.305786       2.472187  
1 1 1 23 18 4  o 34.49213 1.324840  11.95963       0.9100993 10.72548       1.289403  13.18491       1.284759  -3.565468      2.649680  
1 1 1 23 18 5  o 29.92160 1.276676  9.027083       0.7549169 9.340916       1.003788  8.618454       1.145401  1.217327       2.553352  
1 1 1 23 18 6  o 51.55988 1.011994  26.62931       1.043233  26.82895       1.496699  26.44067       1.454898  0.3737755      2.023987  
1 1 1 23 18 7  o 56.82368 0.9133223 32.62613       1.028926  35.58657       1.410859  29.26267       1.503831  5.570969       1.826645  
1 1 1 23 18 8  o 66.82166 1.040341  44.75719       1.373214  44.60715       1.804520  44.96363       2.116647  -0.2350464     2.080682  
1 1 1 23 18 9  o 49.01226 1.112009  24.42267       1.067250  25.87639       1.400190  22.40708       1.648721  3.568275       2.224019  
1 1 1 23 18 10 o 13.84797 2.366839  1.720179       0.7701406 3.679341       1.169658  0.2207799      1.023252  10.33626       4.733679  
1 1 1 23 18 11 o 40.96054 0.9806475 16.61271       0.7751675 15.95586       0.9671441 17.79271       1.296282  -2.183319      1.961295  
1 1 1 23 18 12 o 58.34246 1.089457  33.51560       1.104287  32.76332       1.270767  35.83573       2.231671  -2.417496      2.178915  
1 1 1 23 18 13 o 28.82449 1.531431  8.599215       0.7778099 8.779775       0.9123213 8.118719       1.488269  1.360933       3.062862  
1 1 1 23 18 14 o 19.68510 2.124743  3.812515       0.7984267 3.374907       0.9714621 4.723424       1.401589  -3.159233      4.249487  
1 1 1 23 18 15 o 8.715492 2.294164  0.6606255      0.5633856 1.050926       0.6140283 -1.416987      1.416678  2.400836       4.588329  
1 1 1 23 18 16 o 12.09949 2.781186  1.652761       0.7573284 1.669138       0.9524365 1.624603       1.248862  0.2781963E-01  5.562373  
1 1 1 23 18 17 o 17.73040 2.616655  3.959603       0.9241517 5.438343       1.234298  2.073049       1.394148  9.392821       5.233310  
1 1 1 23 18 18 o 8.767684 3.767768  0.000000       0.000000  ?              ?         0.3668464      1.190569  ?              ?         
1 1 1 23 18 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23 19 0  o 25.44341 2.069327  6.359508       0.9455525 7.703931       1.786085  5.835992       1.114549  0.000000       0.000000  
1 1 1 23 19 1  o 78.86026 0.9165294 62.23500       1.445410  61.24793       2.027484  63.25513       2.061168  -1.271423      1.833059  
1 1 1 23 19 2  o 110.4871 1.393888  122.6836       3.031268  120.4381       4.703313  124.2790       3.964478  -1.780540      2.787775  
1 1 1 23 19 3  o 58.73180 0.9873099 34.50791       1.139556  34.37771       1.478688  34.69833       1.788227  -0.2590027     1.974620  
1 1 1 23 19 4  o 17.76658 2.044761  3.259921       0.6971702 3.445362       0.9230791 3.013675       1.063702  1.501890       4.089521  
1 1 1 23 19 5  o 40.65677 1.132455  16.82191       0.8999627 17.97555       1.180030  15.21794       1.391411  3.406593       2.264909  
1 1 1 23 19 6  o 113.2563 1.194618  128.7940       2.697284  126.3164       3.955298  130.9477       3.687804  -2.066299      2.389237  
1 1 1 23 19 7  o 19.82125 2.130920  4.310816       0.7543579 4.923209       0.9454669 3.238061       1.251357  4.603916       4.261840  
1 1 1 23 19 8  f 21.93117 1.708837  5.001693       0.7243932 5.672417       0.9548160 4.092068       1.111934  3.630226       3.417674  
1 1 1 23 19 9  o 53.77219 0.9737876 28.87801       1.044875  31.03655       1.541394  27.04283       1.421258  3.699856       1.947575  
1 1 1 23 19 10 o 46.33165 1.121274  20.97299       1.013769  24.30279       1.666913  19.01847       1.277099  5.638153       2.242548  
1 1 1 23 19 11 o 36.83184 1.759243  16.09324       0.9049645 17.29832       1.000098  10.64772       2.125953  9.354473       3.518486  
1 1 1 23 19 12 o 18.63610 1.985371  3.559052       0.6485780 3.496615       0.7651495 3.718421       1.222445  -0.1126556     3.970741  
1 1 1 23 19 13 o 28.83650 2.230476  7.543204       0.7684152 7.291324       0.8047085 10.14812       2.587853  -3.907713      4.460953  
1 1 1 23 19 14 o 26.71033 2.231271  6.099513       0.7242686 5.780916       0.7577665 9.465899       2.463182  -5.629196      4.462541  
1 1 1 23 19 15 o 9.685968 2.711600  0.7914079      0.6283964 1.011876       0.6563171 -1.635648      2.177613  0.2076292      5.423199  
1 1 1 23 19 16 o 12.79627 2.948183  2.071745       0.9347614 2.615851       1.047470  -0.5625711E-01 2.071506  4.569567       5.896367  
1 1 1 23 19 17 o 23.06013 2.291425  5.861759       0.9691578 8.840797       1.476994  3.609296       1.284309  11.28621       4.582851  
1 1 1 23 19 18 o 8.191388 3.712608  0.000000       0.000000  ?              ?         -0.1595275     1.309099  ?              ?         
1 1 1 23 20 0  o 25.51185 2.821010  7.180286       1.079399  6.635972       2.185577  7.355879       1.241354  0.000000       0.000000  
1 1 1 23 20 1  o 78.30719 1.156864  61.10389       1.701933  62.36729       2.983725  60.49458       2.072083  1.147804       2.313729  
1 1 1 23 20 2  o 83.42139 0.9577992 69.67377       1.597755  71.46365       2.271166  67.92000       2.248144  2.122856       1.915598  
1 1 1 23 20 3  o 45.80141 1.088691  20.82101       0.9874519 22.36498       1.527043  19.71145       1.294523  2.882576       2.177382  
1 1 1 23 20 4  o 80.16755 1.031938  64.30040       1.611205  63.98956       2.054407  64.79711       2.596945  -0.4679413     2.063877  
1 1 1 23 20 5  f 32.07014 1.262237  10.15495       0.7981978 9.424294       1.031174  11.24719       1.260769  -2.822943      2.524475  
1 1 1 23 20 6  o 14.34957 2.646590  2.130454       0.7762061 1.612473       1.052371  2.748452       1.149490  -3.578275      5.293181  
1 1 1 23 20 7  o 28.52922 1.351075  8.339600       0.7534551 9.161304       0.9987822 7.254446       1.147781  3.361532       2.702149  
1 1 1 23 20 8  o 42.06640 1.065279  17.71236       0.8941137 17.16346       1.215904  18.35865       1.319357  -1.408928      2.130557  
1 1 1 23 20 9  o 41.60863 0.9921326 17.15345       0.8124112 16.21190       1.046822  18.57932       1.288229  -2.813873      1.984265  
1 1 1 23 20 10 o 24.35192 1.436582  5.839521       0.6798489 5.388270       0.8518947 6.630952       1.128193  -2.479471      2.873164  
1 1 1 23 20 11 o 31.91165 1.167106  10.22688       0.7193227 10.11068       0.9041919 10.42721       1.187200  -0.4251900     2.334212  
1 1 1 23 20 12 o 53.37385 1.029749  28.80597       1.023442  29.02497       1.241790  28.34217       1.807093  0.7702255      2.059498  
1 1 1 23 20 13 o 10.09390 2.424947  0.9739622      0.5805955 0.7900364      0.7590054 1.233377       0.9014078 -1.720693      4.849895  
1 1 1 23 20 14 f 12.81244 2.511195  1.122016       0.6251934 0.4921047      0.7048299 3.446551       1.353981  -9.481294      5.022389  
1 1 1 23 20 15 o 26.14703 1.547749  6.848619       0.6718345 6.711233       0.7587832 7.347139       1.445395  -0.8013763     3.095499  
1 1 1 23 20 16 o 10.98952 2.799325  1.303928       0.7868938 1.434199       1.019695  1.112134       1.237268  0.6108322      5.598651  
1 1 1 23 20 17 o 16.87149 2.686683  3.440412       0.9357532 4.891510       1.338562  2.053434       1.308654  8.019294       5.373366  
1 1 1 23 20 18 o 9.589072 4.057365  0.000000       0.000000  ?              ?         0.6585145      1.344037  ?              ?         
1 1 1 23 21 0  o 49.63984 1.602649  24.74290       1.587461  24.74290       1.587461  24.74290       1.587461  0.000000       0.000000  
1 1 1 23 21 1  o 38.70023 1.167069  14.91733       0.9004822 16.30806       1.337972  13.76580       1.217486  3.276531       2.334138  
1 1 1 23 21 2  o 45.83248 1.070048  20.90884       0.9770193 22.62393       1.463077  19.52847       1.312571  3.367092       2.140096  
1 1 1 23 21 3  o 12.33489 2.617491  1.510815       0.7086821 1.085645       0.9630799 2.012900       1.046574  -3.049372      5.234981  
1 1 1 23 21 4  o 22.64209 1.822940  5.201025       0.8081525 3.928210       1.125912  6.553665       1.160681  -5.793652      3.645880  
1 1 1 23 21 5  o 56.33144 1.158149  31.42773       1.183840  30.89273       1.399182  32.77570       2.220950  -1.598118      2.316298  
1 1 1 23 21 6  o 55.62955 1.070794  30.52750       1.120913  29.57175       1.360280  32.54943       1.978507  -2.613892      2.141588  
1 1 1 23 21 7  o 39.05296 1.151980  15.28799       0.8978412 14.97307       1.224966  15.65355       1.319810  -0.8597641     2.303960  
1 1 1 23 21 8  o 21.55875 1.661036  4.601609       0.6988603 4.310837       0.8840073 5.086195       1.141210  -1.748299      3.322073  
1 1 1 23 21 9  o 38.12387 0.9807048 14.86693       0.6580474 15.18919       0.7708172 14.00088       1.263621  1.623482       1.961410  
1 1 1 23 21 10 o 28.67798 1.134334  7.962387       0.5547908 7.688759       0.6310636 8.893536       1.164131  -1.992123      2.268668  
1 1 1 23 21 11 o 8.672985 2.322750  0.5796560      0.4748188 0.6046566      0.5301592 0.4783102      1.067418  -1.322701      4.645501  
1 1 1 23 21 12 o 27.10054 1.331486  7.049500       0.5813259 6.798504       0.6465510 8.108600       1.328122  -2.196095      2.662973  
1 1 1 23 21 13 o 28.03480 1.477585  7.961388       0.6119576 7.943930       0.6691533 8.050616       1.512768  0.1402092      2.955171  
1 1 1 23 21 14 o 17.22928 1.926607  3.392003       0.5910109 4.074359       0.7524555 2.293120       0.9548855 5.544631       3.853214  
1 1 1 23 21 15 o 12.23494 2.554322  1.807809       0.6713959 2.111851       0.7794673 0.9337232      1.321624  3.246111       5.108644  
1 1 1 23 21 16 o 7.226229 2.372197  -0.4002680     0.6900712 -0.1914988     0.7660924 -1.298336      1.588922  -1.471312      4.744394  
1 1 1 23 21 17 o 9.748457 4.068247  0.000000       0.000000  ?              ?         0.7319250      1.321269  ?              ?         
1 1 1 23 21 18 o 9.073087 3.954677  0.000000       0.000000  ?              ?         0.4568155      1.347314  ?              ?         
1 1 1 23 22 0  o 37.23605 1.815608  13.62694       1.197009  15.16675       2.328712  13.07400       1.395479  0.000000       0.000000  
1 1 1 23 22 1  o 80.52024 1.043914  65.11702       1.663616  66.06033       2.208289  63.87907       2.529756  1.376266       2.087828  
1 1 1 23 22 2  o 30.85703 1.453493  9.514488       0.8870645 9.848510       1.369991  9.273352       1.164022  0.9124565      2.906986  
1 1 1 23 22 3  o 28.27386 1.478213  8.067616       0.8316516 7.382000       1.201063  8.699120       1.152693  -2.333988      2.956426  
1 1 1 23 22 4  o 27.65310 1.332176  7.273628       0.7171251 5.795805       0.9013522 9.822520       1.183748  -7.251167      2.664352  
1 1 1 23 22 5  o 51.63168 1.126331  26.39178       1.105128  25.64060       1.355737  27.87937       1.907855  -2.110332      2.252663  
1 1 1 23 22 6  o 45.50346 1.047004  20.72961       0.9373721 20.54047       1.218050  21.00432       1.467935  -0.4828758     2.094008  
1 1 1 23 22 7  o 32.78084 1.299404  10.69139       0.8475113 9.659796       1.132226  12.00596       1.278114  -3.558176      2.598807  
1 1 1 23 22 8  o 24.06304 1.470469  5.851454       0.6334022 5.870716       0.7459150 5.801659       1.199323  0.2275696      2.940938  
1 1 1 23 22 9  o 18.20004 1.882753  3.618045       0.5633458 3.825054       0.6561268 3.037401       1.098873  2.576214       3.765506  
1 1 1 23 22 10 o 29.70903 1.148978  9.004838       0.5978938 9.126543       0.6971778 8.666473       1.162468  0.8825493      2.297957  
1 1 1 23 22 11 o 35.84366 1.017572  12.62030       0.6354887 12.31093       0.7319981 13.56697       1.280475  -1.632332      2.035143  
1 1 1 23 22 12 o 18.18363 1.892406  3.512823       0.5456073 3.564045       0.6188890 3.334139       1.155915  1.185602       3.784811  
1 1 1 23 22 13 o 19.34717 1.644425  3.887124       0.5689784 3.949150       0.6726930 3.731200       1.066570  0.7760086      3.288850  
1 1 1 23 22 14 o 9.171686 2.523020  0.6441919      0.4841127 0.6682464      0.5132703 0.4503380      1.457086  -2.022297      5.046040  
1 1 1 23 22 15 o 18.13913 1.649316  3.434157       0.5940883 2.915729       0.8181195 4.012496       0.8641001 -2.977530      3.298632  
1 1 1 23 22 16 o 10.93251 2.833355  1.277260       0.7562418 1.281137       0.8849544 1.266764       1.456098  -0.5583200     5.666710  
1 1 1 23 22 17 o 10.57072 4.363216  0.000000       0.000000  ?              ?         1.040508       1.494017  ?              ?         
1 1 1 23 22 18 o 6.762192 3.139359  0.000000       0.000000  ?              ?         -0.4393731     1.019479  ?              ?         
1 1 1 23 23 0  o 32.98276 2.233506  11.18560       1.285140  11.31053       2.459626  11.13869       1.507243  0.000000       0.000000  
1 1 1 23 23 1  o 49.07314 1.011576  24.11760       0.9924130 25.11746       1.419453  23.16151       1.388042  1.990719       2.023151  
1 1 1 23 23 2  o 40.26619 1.169759  16.42307       0.9229068 17.16164       1.206593  15.38173       1.432718  2.229439       2.339519  
1 1 1 23 23 3  o 27.02182 1.400704  7.321829       0.7544053 7.174309       1.020970  7.499234       1.119621  -0.5896168     2.801407  
1 1 1 23 23 4  o 46.13533 1.016811  21.20306       0.9302834 20.33054       1.227435  22.38076       1.426026  -2.202980      2.033622  
1 1 1 23 23 5  o 92.02076 1.280722  84.17431       2.290666  81.39571       2.892859  88.84507       3.750667  -3.936295      2.561445  
1 1 1 23 23 6  o 47.20544 1.115034  20.31246       0.8401371 19.10248       0.9267247 25.89484       1.990544  -7.071602      2.230067  
1 1 1 23 23 7  o 29.94827 1.340696  7.967599       0.6625596 7.261258       0.7359684 10.98787       1.521861  -6.091524      2.681392  
1 1 1 23 23 8  o 17.92360 2.218507  3.871507       0.7033383 5.143068       0.8968584 1.840243       1.133544  9.326500       4.437014  
1 1 1 23 23 9  o 47.03386 0.9689246 22.69713       0.8317610 23.42343       0.9997908 21.06441       1.499011  2.593781       1.937849  
1 1 1 23 23 10 o 14.00277 2.212713  1.860652       0.5427832 1.602299       0.6249002 2.654446       1.095362  -3.396691      4.425426  
1 1 1 23 23 11 o 11.39688 2.247258  1.548391       0.5284792 1.837254       0.5822936 0.1987381      1.258658  4.104237       4.494516  
1 1 1 23 23 12 o 21.32897 1.520323  4.407530       0.5180106 4.264643       0.5750614 5.022365       1.192881  -1.517853      3.040646  
1 1 1 23 23 13 o 11.71873 2.207678  1.557237       0.4870496 1.692791       0.5472642 1.040931       1.068054  2.279945       4.415356  
1 1 1 23 23 14 o 9.011236 2.340656  0.6465421      0.4799868 0.5574955      0.5442779 0.9580813      1.018049  -2.444180      4.681312  
1 1 1 23 23 15 o 18.32445 1.507246  3.563948       0.4924397 3.645938       0.5829550 3.359691       0.9201171 1.111748       3.014492  
1 1 1 23 23 16 o 16.57018 2.687894  3.017845       0.7631043 2.777227       0.8680073 3.836731       1.601295  -1.583160      5.375789  
1 1 1 23 23 17 o 14.83652 4.658582  0.000000       0.000000  ?              ?         3.015084       1.537413  ?              ?         
1 1 1 23 24 0  o 116.2515 1.872683  137.9695       3.846431  131.5158       7.345931  140.4072       4.514825  0.000000       0.000000  
1 1 1 23 24 1  o 42.87109 1.183078  18.42010       0.9827304 18.53576       1.604628  18.35068       1.243143  0.1786423      2.366155  
1 1 1 23 24 2  o 53.06962 0.9633333 28.30288       1.019777  29.63476       1.414765  26.86250       1.471259  2.616898       1.926667  
1 1 1 23 24 3  o 63.51673 1.017638  40.22297       1.256395  39.48423       1.591759  41.44381       2.046272  -1.498161      2.035277  
1 1 1 23 24 4  o 58.25372 1.119592  34.19583       1.225065  34.46410       1.498040  33.65420       2.128577  0.7662506      2.239184  
1 1 1 23 24 5  o 24.28431 1.426860  5.018533       0.6210167 4.026664       0.7109675 8.211227       1.275561  -8.529615      2.853720  
1 1 1 23 24 6  o 39.68227 1.139838  16.36606       0.8461608 17.56168       1.050507  14.15734       1.427819  4.338703       2.279675  
1 1 1 23 24 7  o 60.76261 1.492138  36.09008       1.414958  35.42950       1.563403  39.08147       3.326921  -2.672482      2.984276  
1 1 1 23 24 8  o 30.70575 1.261977  9.170168       0.7077175 8.715741       0.8345982 10.33326       1.335220  -2.519470      2.523953  
1 1 1 23 24 9  o 10.38496 2.623758  0.9892354      0.6893225 1.155646       0.8827173 0.7291493      1.103545  0.7149267      5.247516  
1 1 1 23 24 10 o 56.42447 0.9178109 32.61061       0.9708775 33.85194       1.195052  30.20078       1.665083  3.327038       1.835622  
1 1 1 23 24 11 o 45.24958 0.9945480 19.69189       0.8003932 18.66150       0.9270775 22.70821       1.586181  -4.294216      1.989096  
1 1 1 23 24 12 o 22.48370 1.474350  4.813043       0.5837763 4.475908       0.6704177 5.870363       1.187263  -2.877604      2.948700  
1 1 1 23 24 13 o 16.13642 2.120905  3.163149       0.5497606 3.512121       0.6322491 2.081408       1.113153  4.923265       4.241810  
1 1 1 23 24 14 o 12.26327 2.079562  1.996731       0.5122691 2.447513       0.5849618 0.5136226      1.061038  6.340502       4.159124  
1 1 1 23 24 15 o 22.07325 1.605398  4.914112       0.6329982 4.685339       0.7373685 5.555022       1.234185  -1.449055      3.210796  
1 1 1 23 24 16 o 8.465472 3.913386  0.000000       0.000000  ?              ?         -0.5530327     1.562571  ?              ?         
1 1 1 23 24 17 f 11.54062 4.478958  0.000000       0.000000  ?              ?         1.592406       1.480788  ?              ?         
1 1 1 23 25 0  o 48.38042 1.628333  22.34538       1.362415  26.31564       2.809116  21.12425       1.557908  0.000000       0.000000  
1 1 1 23 25 1  o 20.87614 1.884166  4.385453       0.7851526 4.663922       1.155023  4.146235       1.070531  1.224211       3.768331  
1 1 1 23 25 2  o 50.46063 0.9730585 25.53666       0.9816945 26.31977       1.389235  24.75561       1.387418  1.549713       1.946117  
1 1 1 23 25 3  o 10.84966 2.671127  1.090092       0.7098688 1.260952       0.9145226 0.8311011      1.125945  0.7729998      5.342254  
1 1 1 23 25 4  o 14.86805 2.570989  2.168492       0.6414462 2.061486       0.7164226 2.600951       1.440252  -1.614675      5.141978  
1 1 1 23 25 5  o 27.49756 1.559561  7.317453       0.7032431 7.101405       0.7879794 8.163029       1.558887  -1.794525      3.119123  
1 1 1 23 25 6  o 35.57826 1.114171  12.55048       0.7111407 12.34647       0.8344222 13.09195       1.359406  -0.9729652     2.228343  
1 1 1 23 25 7  o 40.75529 1.266883  16.23897       0.9107420 15.70639       1.054157  17.80658       1.808560  -2.417030      2.533765  
1 1 1 23 25 8  o 11.89532 2.584845  1.543195       0.6169312 1.713893       0.6848111 0.8079416      1.421263  1.650666       5.169690  
1 1 1 23 25 9  o 39.89746 1.066895  16.49966       0.7616118 17.14186       0.9053015 14.94441       1.408826  2.862785       2.133790  
1 1 1 23 25 10 f 29.30077 1.570256  8.752469       0.8508304 8.796057       1.026262  8.656650       1.521614  0.4176350      3.140512  
1 1 1 23 25 11 o 29.43215 1.256802  8.502231       0.6465065 8.227849       0.7448655 9.340230       1.301734  -1.692867      2.513605  
1 1 1 23 25 12 o 25.46532 1.424767  6.088424       0.6542132 5.465317       0.7581619 7.904907       1.294484  -4.502649      2.849534  
1 1 1 23 25 13 f 12.01186 2.475837  1.197130       0.5558970 0.8359348      0.6273345 2.517617       1.199487  -5.897868      4.951674  
1 1 1 23 25 14 o 7.909552 2.298108  0.5134613E-01  0.5200248 -0.2476298     0.5956171 1.010045       1.066572  -4.660867      4.596215  
1 1 1 23 25 15 o 8.571855 2.364701  0.6243870      0.5206614 0.6617117      0.5881997 0.4892794      1.119094  -0.8695374     4.729403  
1 1 1 23 25 16 o 7.954323 2.614965  -0.6706808     1.012438  -0.1062789     1.265366  -1.674861      1.687826  0.5231495      5.229929  
1 1 1 23 25 17 o 8.768089 2.793604  0.1545333      1.041709  0.5574549      1.344746  -0.4500626     1.647262  0.7068386      5.587208  
1 1 1 23 26 0  o 75.16559 1.522404  54.56019       1.960325  61.29461       4.079975  52.53888       2.235240  0.000000       0.000000  
1 1 1 23 26 1  o 64.87752 0.9415237 42.19979       1.220706  42.14714       1.692492  42.25687       1.762302  -0.7765198E-01 1.883047  
1 1 1 23 26 2  o 27.51104 1.463989  7.700549       0.7946609 8.266499       1.066217  6.993313       1.191897  2.333202       2.927977  
1 1 1 23 26 3  o 43.11359 1.154239  18.78471       0.8372989 18.88953       0.9556000 18.43822       1.737338  0.6166801      2.308479  
1 1 1 23 26 4  o 29.03011 1.264542  7.948830       0.6684914 7.284985       0.7818015 9.754065       1.289229  -4.175440      2.529085  
1 1 1 23 26 5  o 31.56789 1.241583  9.533288       0.7443349 8.580223       0.9012828 11.57773       1.320041  -4.679773      2.483167  
1 1 1 23 26 6  o 41.96740 1.194055  16.92145       0.8174150 16.36925       0.9134281 19.14167       1.831567  -3.133488      2.388110  
1 1 1 23 26 7  o 30.66695 2.055403  10.43398       0.7524835 10.66505       0.7982109 8.588743       2.255608  3.854578       4.110806  
1 1 1 23 26 8  o 20.95217 2.186556  4.309587       0.6511062 4.184129       0.7074671 5.004197       1.664667  -1.181322      4.373112  
1 1 1 23 26 9  o 21.70889 1.876904  4.393479       0.6300226 4.169605       0.6898861 5.518111       1.546252  -2.761154      3.753807  
1 1 1 23 26 10 o 50.90241 1.165980  27.15715       0.9879321 28.01040       1.130880  24.40760       2.030057  3.809994       2.331960  
1 1 1 23 26 11 o 45.53812 1.067327  20.98841       0.9378611 21.15691       1.183172  20.70355       1.538347  0.6060371      2.134655  
1 1 1 23 26 12 o 30.56798 1.364041  9.574413       0.8065434 9.741167       1.024200  9.302189       1.308619  0.8562431      2.728081  
1 1 1 23 26 13 o 21.89481 1.538639  5.010742       0.5801589 5.090852       0.6721076 4.776569       1.149119  1.025019       3.077279  
1 1 1 23 26 14 o 20.68279 1.594569  3.970480       0.5711076 3.514756       0.6461641 5.597387       1.220880  -4.410234      3.189138  
1 1 1 23 26 15 o 7.289127 2.923028  0.3607318      0.6482005 0.3607318      0.6482005 ?              ?         ?              ?         
1 1 1 23 26 16 o 9.581036 4.241992  0.3474636      1.611761  0.3474636      1.611761  ?              ?         ?              ?         
1 1 1 23 26 17 o 7.633867 2.548219  -0.9329643     1.052740  0.7474608E-01  1.411989  -2.194252      1.579685  1.721012       5.096437  
1 1 1 23 27 0  o 48.18261 1.658564  22.64055       1.397708  25.24885       2.797086  21.77249       1.613613  0.000000       0.000000  
1 1 1 23 27 1  o 12.09294 2.746228  1.476679       0.7881559 1.977076       1.011647  0.7039018      1.257184  3.164068       5.492455  
1 1 1 23 27 2  o 10.01157 2.449026  0.9621707      0.6306016 1.383621       0.7122698 -0.5659895     1.356300  2.918365       4.898052  
1 1 1 23 27 3  o 35.08479 1.243761  12.27652       0.8650081 11.66295       1.138283  13.11513       1.330756  -2.038944      2.487523  
1 1 1 23 27 4  o 14.81034 2.664723  2.082733       0.6709329 1.904124       0.7498448 2.799851       1.502505  -2.735045      5.329447  
1 1 1 23 27 5  o 18.64603 2.134514  3.449756       0.7601072 2.619754       0.9754534 4.732830       1.212810  -5.831993      4.269028  
1 1 1 23 27 6  o 11.12564 2.678118  1.119693       0.6674476 0.9655856      0.7969042 1.481843       1.221626  -2.290014      5.356236  
1 1 1 23 27 7  o 18.94228 2.010171  2.978132       0.6135083 2.576945       0.6721175 4.982170       1.502192  -5.990937      4.020342  
1 1 1 23 27 8  o 17.49334 1.903112  2.767392       0.5992438 2.364794       0.6901640 4.000578       1.207899  -4.464462      3.806224  
1 1 1 23 27 9  o 36.73190 1.383413  13.31250       0.7777313 13.11818       0.8554731 14.23821       1.867189  -1.200584      2.766827  
1 1 1 23 27 10 o 11.01764 2.588912  1.219337       0.6114622 1.255934       0.7032168 1.105903       1.238042  -0.3355837     5.177824  
1 1 1 23 27 11 o 38.54523 1.381548  14.71472       0.9152119 14.30697       1.047066  16.03475       1.883947  -1.823177      2.763095  
1 1 1 23 27 12 o 29.51963 1.355708  8.867343       0.6923572 8.839259       0.7993961 8.951655       1.385074  0.1169262      2.711416  
1 1 1 23 27 13 o 7.664584 2.335672  0.2966290E-01  0.6667133 0.4079133      0.8382620 -0.6215768     1.099918  0.9647522      4.671343  
1 1 1 23 27 14 o 20.99125 1.818198  4.722715       0.6369842 4.759350       0.7276985 4.602640       1.317426  1.062817       3.636397  
1 1 1 23 27 15 o 10.24273 2.626577  1.211624       0.7362380 1.624159       0.8148260 -0.6228480     1.718265  2.973333       5.253154  
1 1 1 23 27 16 o 9.210855 2.919461  -0.9017852E-01 1.147457  0.8565308      1.644903  -0.9875508     1.601468  2.381561       5.838923  
1 1 1 23 28 0  o 6.032549 2.927243  -0.6255277     1.005902  -1.870098      1.985866  -0.1959985     1.166639  0.000000       0.000000  
1 1 1 23 28 1  o 69.86555 1.079395  49.87176       1.369395  51.11896       1.636855  46.96297       2.499752  3.091652       2.158791  
1 1 1 23 28 2  o 83.49043 1.154819  71.13193       1.725796  72.53570       2.040670  67.60659       3.233904  3.127266       2.309638  
1 1 1 23 28 3  o 89.74602 1.065564  81.19860       1.890338  82.91864       2.505280  78.92475       2.880504  2.281540       2.131128  
1 1 1 23 28 4  o 21.30963 1.815939  4.552689       0.7680375 4.126609       1.012664  5.129670       1.178421  -2.301369      3.631878  
1 1 1 23 28 5  o 8.028286 2.423017  0.4089842E-01  0.6804231 0.3503352      0.8284367 -0.6005762     1.192788  0.3929834      4.846035  
1 1 1 23 28 6  o 16.54070 2.292272  2.718647       0.6633038 2.541866       0.7692231 3.231250       1.309863  -1.470005      4.584543  
1 1 1 23 28 7  o 34.83809 1.338544  11.86250       0.7507064 11.59560       0.8370548 12.95960       1.697087  -1.724834      2.677088  
1 1 1 23 28 8  o 37.18469 1.161509  13.60770       0.7521422 13.26785       0.8661650 14.64963       1.516611  -1.687740      2.323018  
1 1 1 23 28 9  o 15.23067 2.367739  2.854768       0.6444153 3.289808       0.7469785 1.588810       1.274246  5.502767       4.735479  
1 1 1 23 28 10 o 28.33673 1.396396  8.546658       0.7178981 9.192101       0.8714052 7.183182       1.266530  3.700754       2.792791  
1 1 1 23 28 11 o 22.54263 1.850184  5.578832       0.7482368 6.115548       0.9091005 4.451756       1.317396  3.946899       3.700369  
1 1 1 23 28 12 o 41.08083 1.073156  17.19553       0.8039970 17.33664       0.9601713 16.86448       1.470714  0.7926941      2.146313  
1 1 1 23 28 13 f 23.25424 1.953452  4.955590       0.6961267 4.534723       0.7571906 7.253729       1.769379  -4.555481      3.906904  
1 1 1 23 28 14 o 15.24201 2.416497  2.667861       0.6621491 2.675313       0.7735595 2.647437       1.280717  1.204081       4.832994  
1 1 1 23 28 15 o 14.28473 3.241291  2.763320       1.084978  3.283285       1.427507  2.052080       1.669548  3.232443       6.482582  
1 1 1 23 28 16 o 17.67936 3.301870  4.488465       1.190103  3.992994       1.647577  5.029041       1.720939  -2.378273      6.603740  
1 1 1 23 29 0  o 21.58470 3.431958  5.419649       1.258767  5.169929       2.008019  5.581307       1.615617  0.000000       0.000000  
1 1 1 23 29 1  o 44.57686 0.9975820 19.79009       0.8447129 19.42712       1.038211  20.50093       1.452915  -1.139172      1.995164  
1 1 1 23 29 2  o 39.91251 1.143247  16.18394       0.8667853 16.53520       1.076353  15.53586       1.462018  1.327091       2.286493  
1 1 1 23 29 3  o 33.85254 1.430444  11.70948       0.8083422 11.81757       0.9207752 11.34621       1.688067  0.8880653      2.860887  
1 1 1 23 29 4  f 26.22154 1.407373  6.789718       0.6847647 6.539018       0.8198041 7.368299       1.245418  -1.471901      2.814746  
1 1 1 23 29 5  o 38.02334 1.279654  14.56801       0.9660335 14.34496       1.286259  14.85662       1.463121  -0.6249504     2.559308  
1 1 1 23 29 6  o 59.97158 0.9944072 36.65422       1.118582  37.60636       1.372852  34.77364       1.929385  2.475815       1.988814  
1 1 1 23 29 7  o 39.62107 1.298548  15.62652       0.8585352 15.43314       0.9725138 16.30949       1.827647  -0.8645744     2.597096  
1 1 1 23 29 8  o 27.27187 1.662156  7.440606       0.7459992 7.324863       0.8402976 7.871218       1.620791  -0.6648674     3.324311  
1 1 1 23 29 9  o 21.49119 1.724094  4.329299       0.6570933 3.916359       0.7545573 5.625193       1.336699  -3.691994      3.448188  
1 1 1 23 29 10 o 10.92800 2.630054  1.254254       0.6745220 1.463587       0.7915434 0.6991036      1.289025  1.333608       5.260107  
1 1 1 23 29 11 o 30.00812 1.380301  8.989595       0.7230127 8.775486       0.8344389 9.634544       1.448237  -1.101955      2.760603  
1 1 1 23 29 12 o 11.10671 2.706307  0.7259417      0.6601899 0.2078684      0.7432770 2.662330       1.436982  -7.577774      5.412615  
1 1 1 23 29 13 o 14.93242 2.479590  2.567542       0.6565112 2.616604       0.7517649 2.409900       1.347533  1.655961       4.959179  
1 1 1 23 29 14 o 13.07706 2.510295  2.127063       0.6662002 2.352313       0.8016768 1.624350       1.197642  2.739029       5.020590  
1 1 1 23 29 15 o 10.52098 3.172989  0.9100025      1.182098  0.6193464      1.710789  1.175557       1.635247  -0.7545013     6.345979  
1 1 1 23 29 16 o 9.058586 2.939243  0.1250963E-01  1.232448  -0.5691539     1.835240  0.4902927      1.663306  -0.8587904     5.878486  
1 1 1 23 30 0  o 16.17284 2.935562  2.980929       0.7961866 2.573235       0.9903984 3.725772       1.338675  0.000000       0.000000  
1 1 1 23 30 1  o 27.15915 1.434004  7.274698       0.7526866 6.798192       0.9367541 8.142813       1.264386  -2.389626      2.868007  
1 1 1 23 30 2  o 17.33409 2.296287  3.274853       0.7293600 3.551362       0.9019885 2.752538       1.239691  2.737842       4.592574  
1 1 1 23 30 3  o 22.62689 1.680484  5.090219       0.6868560 4.946938       0.8078039 5.464144       1.304972  -0.9785671     3.360968  
1 1 1 23 30 4  o 23.26211 1.901482  5.308411       0.7792685 5.074234       0.8998253 6.010920       1.558519  -1.747482      3.802964  
1 1 1 23 30 5  o 12.09287 2.631701  1.504748       0.6507822 1.514066       0.7616594 1.479550       1.252535  -0.3553219     5.263401  
1 1 1 23 30 6  o 40.92589 1.200449  16.90709       0.9618022 16.92369       1.240079  16.88203       1.523700  0.1270943      2.400897  
1 1 1 23 30 7  o 44.10744 1.267357  19.34752       0.9377214 19.07010       1.064091  20.31182       1.983900  -1.115158      2.534715  
1 1 1 23 30 8  o 9.780387 2.527057  0.8759288      0.6346589 1.128311       0.7370844 0.1523961      1.248007  1.214670       5.054113  
1 1 1 23 30 9  o 15.79581 2.347072  2.678555       0.6883403 2.687875       0.8364338 2.658997       1.211613  0.6804390      4.694144  
1 1 1 23 30 10 o 26.38712 1.456602  6.578504       0.6806881 6.019480       0.7822954 8.320962       1.381137  -4.036160      2.913205  
1 1 1 23 30 11 o 14.05902 2.564975  2.250395       0.6783431 2.347145       0.7939698 1.988881       1.305342  1.406795       5.129950  
1 1 1 23 30 12 o 41.78350 1.154276  17.87403       0.8678182 17.85069       1.025179  17.93302       1.630066  0.3502808      2.308553  
1 1 1 23 30 13 o 7.529398 2.387997  -0.1481171     0.6863793 -0.1618411     0.8160730 -0.1149360     1.268918  -1.627841      4.775994  
1 1 1 23 30 14 o 9.052925 2.643225  0.6003149      0.7527488 0.5440351      0.9406528 0.7005355      1.255254  -1.022500      5.286450  
1 1 1 23 30 15 o 8.383301 2.790011  -0.8367054     1.206546  -0.2581205     1.751657  -1.359033      1.664320  1.248791       5.580022  
1 1 1 23 31 0  o 20.80457 2.774336  5.132516       0.9469750 6.654208       1.292273  3.367670       1.391696  0.000000       0.000000  
1 1 1 23 31 1  o 9.273344 2.366980  0.6524891      0.6450616 1.292334       0.7813241 -0.7173329     1.143210  3.644655       4.733961  
1 1 1 23 31 2  o 22.65744 1.617259  5.073803       0.6889932 4.816850       0.8326041 5.632013       1.227185  -1.661985      3.234518  
1 1 1 23 31 3  o 28.37435 1.497638  8.305818       0.8043597 8.648444       1.001057  7.681582       1.351205  1.812326       2.995276  
1 1 1 23 31 4  o 26.52337 1.518430  7.063100       0.7694488 6.901207       0.9513638 7.369287       1.308354  -0.7674656     3.036860  
1 1 1 23 31 5  o 40.78427 1.297714  17.50531       0.8807006 18.11563       1.009015  15.55306       1.804636  3.363094       2.595427  
1 1 1 23 31 6  o 15.95600 2.379102  2.566740       0.6713147 2.410483       0.7792640 3.016446       1.321995  -1.222046      4.758205  
1 1 1 23 31 7  o 9.563553 2.556223  0.7248246      0.7072685 1.214056       0.8029137 -0.9694744     1.494193  2.408503       5.112445  
1 1 1 23 31 8  o 10.69645 3.008130  0.4807432      1.001221  -0.3228523     1.317262  1.580129       1.540737  -4.192884      6.016260  
1 1 1 23 31 9  o 36.06118 1.260225  13.23747       0.8603824 13.28714       1.060070  13.14159       1.472816  0.3865967      2.520450  
1 1 1 23 31 10 o 19.83906 2.083276  4.189505       0.7085934 4.212297       0.8314435 4.129016       1.354492  0.9110470      4.166553  
1 1 1 23 31 11 o 21.64301 1.835497  4.954621       0.7326476 4.966341       0.8833387 4.928789       1.311475  0.5428104      3.670993  
1 1 1 23 31 12 o 10.20722 2.731086  1.025965       0.6904871 1.145097       0.7702060 0.5381910      1.558485  -0.4887581E-02 5.462173  
1 1 1 23 31 13 o 7.275496 2.314492  -0.2230427     0.7056557 0.2981632      0.8021389 -2.007069      1.484040  0.7010269      4.628984  
1 1 1 23 31 14 o 41.69579 1.669006  19.17686       1.218945  19.72593       1.434456  17.75019       2.312250  3.772335       3.338012  
1 1 1 23 31 15 o 9.671374 3.021206  0.5362591      1.149300  -0.1215072     1.519984  1.414350       1.756196  -2.411390      6.042411  
1 1 1 23 32 0  o 22.90413 2.284984  5.765043       0.9352441 6.370799       1.218258  4.895693       1.459445  0.000000       0.000000  
1 1 1 23 32 1  o 13.79273 2.712234  1.997115       0.7290378 1.943667       0.8677858 2.125335       1.344067  -0.6510029     5.424469  
1 1 1 23 32 2  o 23.47266 1.744104  5.344011       0.7268915 5.052034       0.8411359 6.205202       1.444580  -2.232439      3.488209  
1 1 1 23 32 3  o 20.62230 2.068345  4.228741       0.7495534 4.081804       0.8662753 4.666451       1.495150  -1.132624      4.136689  
1 1 1 23 32 4  o 28.61448 1.539263  8.276979       0.8745129 7.994216       1.160413  8.648680       1.330446  -1.081547      3.078525  
1 1 1 23 32 5  f 32.57114 1.373617  10.54807       0.8011531 10.29016       0.9376716 11.24542       1.541852  -1.247341      2.747234  
1 1 1 23 32 6  o 42.66480 1.816235  19.32327       1.114414  19.62676       1.217369  17.75323       2.768867  2.933430       3.632469  
1 1 1 23 32 7  o 34.33393 1.338655  11.76506       0.8748908 11.33523       1.073966  12.61308       1.508502  -1.690468      2.677310  
1 1 1 23 32 8  o 11.67600 2.991553  1.223253       0.8063298 1.083555       0.9303626 1.644908       1.616350  -2.466293      5.983105  
1 1 1 23 32 9  o 12.20933 2.659889  1.051543       0.9247927 -0.9718240     1.286182  3.217272       1.330660  -9.343938      5.319778  
1 1 1 23 32 10 o 12.14211 2.792528  1.671651       0.7903044 1.971395       0.9949392 1.159188       1.300926  2.072932       5.585057  
1 1 1 23 32 11 o 15.65190 2.646763  2.669871       0.7757555 2.268495       0.9350756 3.556054       1.389417  -3.174248      5.293525  
1 1 1 23 32 12 o 7.821399 2.507175  -0.2495362     0.7989231 -0.1560053     0.9587780 -0.4620043     1.445066  -1.101497      5.014349  
1 1 1 23 32 13 o 9.463772 2.822968  0.5420927      0.9508923 1.086858       1.216093  -0.3150273     1.525397  1.677432       5.645935  
1 1 1 23 32 14 o 7.849919 2.598897  -0.5092580     0.8819516 -0.5335317     1.017436  -0.4358873     1.768887  -2.165489      5.197795  
1 1 1 23 33 0  o 14.92815 3.559782  3.545641       1.198853  0.8706874      2.242435  4.616175       1.418606  0.000000       0.000000  
1 1 1 23 33 1  o 39.74074 0.9523641 15.90181       0.7561474 15.52013       1.086441  16.26039       1.053049  -0.9388008     1.904728  
1 1 1 23 33 2  o 24.48263 1.667444  6.056283       0.7762509 5.942976       0.9557105 6.275944       1.330687  -0.5302753     3.334888  
1 1 1 23 33 3  o 8.411794 2.526950  0.1832296      0.6917579 0.4268580      0.7969741 -0.5610509     1.392992  -0.2911701     5.053900  
1 1 1 23 33 4  o 32.15148 1.461673  9.708967       0.8018016 9.040868       0.9064396 12.11188       1.719043  -4.442257      2.923345  
1 1 1 23 33 5  o 53.39941 1.295448  29.46215       1.143554  29.92200       1.300019  27.88932       2.404281  2.290424       2.590896  
1 1 1 23 33 6  o 11.98693 2.744203  1.410024       0.6713595 1.322814       0.7690027 1.689514       1.376659  -1.709892      5.488407  
1 1 1 23 33 7  o 10.79527 2.838084  0.9972464      0.7667273 0.8527909      0.9199528 1.325834       1.387472  -2.113882      5.676168  
1 1 1 23 33 8  o 36.24247 2.054331  13.51794       1.044558  13.42185       1.129446  14.08601       2.746283  0.2966080      4.108663  
1 1 1 23 33 9  o 39.84238 1.215497  15.89769       0.8652101 15.58390       1.012521  16.74691       1.665678  -1.126637      2.430993  
1 1 1 23 33 10 o 22.23028 1.917833  5.008902       0.7798530 4.654119       0.9189696 5.921882       1.474180  -2.189581      3.835667  
1 1 1 23 33 11 o 7.512818 2.501497  -1.242597      0.8605863 -1.763727      1.024600  0.5647338E-02  1.585737  -3.864698      5.002995  
1 1 1 23 33 12 o 11.28870 2.942549  1.133701       0.8198344 0.6209028      0.9673161 2.441374       1.544703  -4.887749      5.885097  
1 1 1 23 33 13 o 8.538509 2.627135  0.2717454      0.8316197 0.2365512      1.104542  0.3178071      1.263620  -0.5344610     5.254269  
1 1 1 23 33 14 o 11.84969 3.157827  1.708967       0.9035438 1.367156       1.036531  2.790534       1.843812  -2.823635      6.315653  
1 1 1 23 34 0  f 28.11278 1.882588  8.653232       0.9767879 9.912566       1.228198  6.485762       1.611292  0.000000       0.000000  
1 1 1 23 34 1  o 41.19398 1.287490  16.25550       0.9508100 19.34470       1.870931  15.17985       1.104004  4.778477       2.574980  
1 1 1 23 34 2  o 62.69429 0.8901138 39.54440       1.115721  40.08757       1.602871  39.03384       1.554000  0.8278618      1.780228  
1 1 1 23 34 3  o 36.29491 1.272729  13.42493       0.8385071 13.53715       0.9981354 13.15580       1.545713  0.7203140      2.545458  
1 1 1 23 34 4  o 17.21350 2.615381  3.579278       0.7390287 3.890806       0.8318772 2.412750       1.609748  4.670356       5.230762  
1 1 1 23 34 5  o 38.12658 1.239168  14.18212       0.8601298 13.44558       1.011796  16.10143       1.633308  -3.236530      2.478335  
1 1 1 23 34 6  o 16.79764 2.780203  3.125437       0.7887756 3.158253       0.8835891 2.996677       1.750263  1.364346       5.560405  
1 1 1 23 34 7  o 18.19201 2.739115  3.661427       0.8118736 3.678644       0.9105569 3.594658       1.793092  1.370497       5.478230  
1 1 1 23 34 8  o 24.08950 2.327855  6.670553       0.8392077 7.001739       0.9461069 5.448411       1.817461  4.267773       4.655710  
1 1 1 23 34 9  o 12.43511 2.991298  1.800043       0.7683244 1.971366       0.8159541 0.4597617      2.282211  1.656184       5.982597  
1 1 1 23 34 10 o 23.12130 2.981300  6.897269       0.8829093 7.137620       0.9510183 5.397260       2.375809  6.386129       5.962599  
1 1 1 23 34 11 o 12.54053 2.501035  2.196545       0.8470672 2.956333       0.9076049 -2.935685      2.358868  7.958108       5.002069  
1 1 1 23 34 12 o 10.89524 3.260154  0.9033171      0.9788833 0.7245894      1.076527  1.756636       2.352256  -3.281219      6.520308  
1 1 1 23 34 13 o 9.866518 3.035050  0.6133871      1.076363  0.8312645      1.812339  0.4946563      1.337873  1.291278       6.070100  
1 1 1 23 35 0  o 14.83727 3.905234  2.692200       0.9568185 2.299566       1.097555  3.935460       1.953049  0.000000       0.000000  
1 1 1 23 35 1  o 39.16978 1.007799  15.45603       0.7892073 15.01794       1.098304  15.92372       1.134806  -1.145809      2.015597  
1 1 1 23 35 2  o 12.22925 2.630555  1.622398       0.6871942 1.335710       1.204098  1.760883       0.8368685 -1.053576      5.261110  
1 1 1 23 35 3  o 23.75290 2.058042  5.125963       0.8126171 4.615601       0.9046628 7.258051       1.849056  -4.959494      4.116085  
1 1 1 23 35 4  o 13.22698 2.732788  1.618098       0.7178224 1.141372       0.8421651 2.884470       1.372598  -5.459821      5.465575  
1 1 1 23 35 5  o 42.08991 1.217289  18.00696       0.9847605 18.07037       1.234685  17.89609       1.632525  0.3799248      2.434579  
1 1 1 23 35 6  o 19.72998 2.227869  4.394276       0.7364680 4.667976       0.8667088 3.683302       1.396892  3.256641       4.455738  
1 1 1 23 35 7  o 10.76480 2.733398  1.144333       0.7584116 1.467736       0.9087089 0.4019386      1.376799  1.740700       5.466795  
1 1 1 23 35 8  o 11.03321 2.788395  1.139631       0.7038906 0.9356555      0.8168389 1.728007       1.387317  -2.851152      5.576790  
1 1 1 23 35 9  o 12.31513 2.767436  1.334020       0.7373617 0.6987424      0.8654860 3.015922       1.408247  -6.771157      5.534871  
1 1 1 23 35 10 o 13.94780 2.848962  2.108173       0.7320588 1.868512       0.8286067 2.960558       1.562672  -2.452211      5.697924  
1 1 1 23 35 11 o 22.70284 2.318659  6.339855       0.8901947 7.117558       1.083029  4.720201       1.562948  6.509909       4.637318  
1 1 1 23 35 12 o 10.63210 3.025344  1.169598       1.028808  1.686362       1.196855  -0.2928102     2.013400  2.070298       6.050687  
1 1 1 23 35 13 o 14.65682 2.790774  2.966645       0.8721412 3.632842       1.167830  2.126570       1.311406  4.700132       5.581548  
1 1 1 23 36 0  o 6.948847 3.108355  0.3725677      0.8627658 0.4645870      1.045461  0.1760930      1.527643  0.000000       0.000000  
1 1 1 23 36 1  o 27.41941 1.341677  7.661256       0.7355103 7.910278       1.042622  7.414564       1.037732  0.9015083      2.683354  
1 1 1 23 36 2  f 44.69383 1.037193  20.27041       0.9229067 21.03655       1.261958  19.38950       1.353187  1.878265       2.074386  
1 1 1 23 36 3  f 35.04940 1.457392  12.42173       1.010327  11.72190       1.319315  13.41413       1.571066  -2.280685      2.914783  
1 1 1 23 36 4  o 8.053169 2.473582  -0.1771923     0.7831987 0.4994280      0.9567784 -1.551382      1.363522  1.695636       4.947163  
1 1 1 23 36 5  o 23.46046 1.832476  5.538520       0.7944299 5.270816       0.9467409 6.175601       1.460496  -1.557295      3.664951  
1 1 1 23 36 6  o 19.78411 2.313428  4.403295       0.8130078 4.754280       0.9946725 3.696837       1.411168  3.373505       4.626857  
1 1 1 23 36 7  o 31.99990 1.462810  9.727873       0.8594946 8.543173       1.006731  12.91291       1.650695  -6.270082      2.925621  
1 1 1 23 36 8  o 20.24626 2.233944  4.719313       0.7465441 4.925421       0.8704666 4.146063       1.451697  3.065075       4.467888  
1 1 1 23 36 9  o 19.22865 2.305765  3.720924       0.7665334 3.259867       0.8801426 5.169011       1.559816  -3.477251      4.611529  
1 1 1 23 36 10 o 17.80195 2.658371  4.102842       0.8011396 4.429095       0.9180719 3.061227       1.640412  5.269849       5.316742  
1 1 1 23 36 11 o 9.662909 2.767894  0.8057708      0.8655788 1.271415       1.113485  0.9468819E-01  1.375997  1.828280       5.535787  
1 1 1 23 36 12 o 9.226506 2.756860  0.6800780      0.8711550 0.6780251      1.164767  0.6826844      1.312403  -0.2654305     5.513720  
1 1 1 23 37 0  o 32.55360 2.619363  12.52374       1.218446  13.43969       1.380897  9.303423       2.589253  0.000000       0.000000  
1 1 1 23 37 1  o 15.95285 2.075112  2.703862       0.6440347 2.678851       0.9610018 2.724254       0.8677287 -0.4932966     4.150224  
1 1 1 23 37 2  o 36.15333 1.150408  13.26673       0.8313497 13.38742       1.159596  13.13908       1.192506  0.3583336      2.300815  
1 1 1 23 37 3  o 29.64680 1.795315  10.13638       0.9128100 6.824921       1.625934  11.66041       1.103040  -8.495445      3.590630  
1 1 1 23 37 4  o 33.23574 1.492503  11.49518       0.9149306 11.81527       1.108716  10.81191       1.619873  1.791988       2.985006  
1 1 1 23 37 5  o 26.58514 1.876465  7.289952       0.9809353 6.790311       1.259859  8.059173       1.563215  -2.109968      3.752931  
1 1 1 23 37 6  o 41.50908 1.258627  17.86246       0.9667207 18.16232       1.171086  17.22103       1.712782  1.532265       2.517254  
1 1 1 23 37 7  o 19.65335 2.317981  4.255232       0.7764740 4.195257       0.9047791 4.422863       1.512624  0.6843376      4.635961  
1 1 1 23 37 8  o 25.41969 1.881394  6.692740       0.9564891 6.692740       0.9564891 ?              ?         ?              ?         
1 1 1 23 37 9  o 21.42109 2.343476  5.168288       0.8389162 5.141354       0.9727370 5.246478       1.657352  1.304914       4.686953  
1 1 1 23 37 10 o 9.402357 2.747575  0.7125990      0.8085455 0.8963354      0.9499138 0.2294067      1.540446  0.7264996E-01  5.495150  
1 1 1 23 37 11 o 21.73052 2.364600  5.599904       0.9642926 7.029245       1.348755  4.105333       1.379186  7.094175       4.729201  
1 1 1 23 37 12 o 12.89334 3.049968  2.335667       0.9459947 2.854310       1.330644  1.805655       1.345151  2.725556       6.099937  
1 1 1 23 38 0  o 7.142997 3.178547  0.3388049      0.8910056 0.7859633E-01  1.112662  0.8039366      1.487615  0.000000       0.000000  
1 1 1 23 38 1  o 22.46426 1.582749  5.149937       0.7073729 5.500782       1.068011  4.875749       0.9441524 1.316099       3.165497  
1 1 1 23 38 2  o 25.03588 1.568355  6.398749       0.7804942 7.476248       1.152940  5.487234       1.060426  3.913828       3.136710  
1 1 1 23 38 3  o 25.64860 1.679821  6.860263       0.8334566 6.950974       1.058313  6.712131       1.352417  0.7016430      3.359642  
1 1 1 23 38 4  o 10.01005 2.703286  0.9230060      0.7532570 1.203545       0.8986316 0.2601624      1.381308  1.146502       5.406571  
1 1 1 23 38 5  o 18.86735 2.359003  4.025629       0.7890066 4.133055       0.9478558 3.783236       1.423796  1.932663       4.718005  
1 1 1 23 38 6  o 8.685154 2.638845  -0.6124097E-01 0.8952134 0.8962722      1.200860  -1.259008      1.343093  2.907506       5.277689  
1 1 1 23 38 7  o 20.99425 1.874952  4.419724       0.7320752 3.939298       0.8686662 5.597315       1.359994  -3.280148      3.749904  
1 1 1 23 38 8  o 22.86051 2.459080  5.736042       0.8888533 5.557428       1.000706  6.403717       1.934784  0.2191334      4.918159  
1 1 1 23 38 9  f 12.56583 2.987492  2.027205       0.8769642 2.223984       1.026075  1.493886       1.689204  1.868758       5.974984  
1 1 1 23 38 10 o 15.14607 2.931723  3.042361       0.9468571 3.655425       1.252653  2.225183       1.446226  4.300152       5.863446  
1 1 1 23 38 11 o 12.23056 2.954095  2.078004       0.9005138 2.565448       1.212458  1.478304       1.344843  2.898709       5.908191  
1 1 1 23 39 0  o 19.93502 3.234981  4.809627       1.121795  4.996258       1.585780  4.622677       1.587137  0.000000       0.000000  
1 1 1 23 39 1  o 27.35764 1.386654  7.697583       0.7573684 8.317651       1.106890  7.151732       1.038536  2.075150       2.773308  
1 1 1 23 39 2  o 12.70484 2.899433  1.772022       0.8053249 1.529099       0.9927169 2.239607       1.377276  -2.089594      5.798867  
1 1 1 23 39 3  o 23.26722 1.627970  5.675203       0.7565998 5.414390       1.077158  5.929190       1.062970  -1.120810      3.255940  
1 1 1 23 39 4  o 14.88116 2.774946  2.557547       0.8064993 2.382526       0.9926153 2.897528       1.383451  -1.041463      5.549893  
1 1 1 23 39 5  o 9.594208 2.894483  0.4737311      0.8898749 0.5960598      1.020638  0.8598142E-01  1.817119  -1.051138      5.788965  
1 1 1 23 39 6  o 12.00316 2.909084  1.577282       0.7978520 1.318128       0.9657698 2.134340       1.415940  -2.358096      5.818169  
1 1 1 23 39 7  o 14.49482 3.038245  2.511348       0.8579302 2.399502       0.9846136 2.864032       1.748433  -0.4186344     6.076489  
1 1 1 23 39 8  o 16.89810 3.446527  4.062449       1.303726  2.729712       2.007030  5.035301       1.714766  -5.791817      6.893054  
1 1 1 23 39 9  o 9.046776 2.557629  0.1885481      0.8810315 1.648929       1.121331  -2.167332      1.424221  5.042411       5.115258  
1 1 1 23 39 10 o 11.59923 3.158204  1.798811       1.061296  1.230797       1.529356  2.326431       1.473974  -2.234032      6.316407  
1 1 1 23 40 0  o 38.29906 1.776022  15.68026       1.308642  18.19464       1.767836  12.63221       1.946426  0.000000       0.000000  
1 1 1 23 40 1  o 9.383661 2.746573  0.5303114      0.7970774 0.4122187      0.9718162 0.7730469      1.393282  -1.754806      5.493146  
1 1 1 23 40 2  o 7.096244 2.268939  -0.4068316     0.7066568 0.1757629E-01  0.9531108 -0.9249359     1.053077  1.066710       4.537878  
1 1 1 23 40 3  o 36.21837 1.311955  13.52221       0.9494560 14.00659       1.379567  13.08631       1.308702  1.208622       2.623910  
1 1 1 23 40 4  o 11.69566 2.560986  1.458546       0.7011795 2.400509       1.058991  0.7232131      0.9356579 5.143314       5.121972  
1 1 1 23 40 5  o 14.80698 2.828905  3.005401       0.8548674 3.388707       0.9447690 1.274025       2.007930  5.839679       5.657811  
1 1 1 23 40 6  o 23.21897 2.687030  7.389046       0.9304538 8.314819       1.068803  4.491369       1.890908  10.02735       5.374060  
1 1 1 23 40 7  o 25.70485 2.905499  7.175377       1.021596  6.794759       1.102460  9.488109       2.717572  -0.8220158     5.810997  
1 1 1 23 40 8  o 15.95459 2.792409  3.151509       0.8707207 2.941570       1.114475  3.480432       1.394991  -0.8927422     5.584818  
1 1 1 23 40 9  o 12.29755 2.813857  2.022042       0.9409918 3.121944       1.209631  0.3362959      1.497517  6.386581       5.627713  
1 1 1 23 41 0  o 15.44292 4.355988  4.174587       1.468080  2.582587       2.799018  4.778747       1.724289  0.000000       0.000000  
1 1 1 23 41 1  o 9.856564 2.659352  0.8557662      0.7483473 0.3836630      1.019275  1.407845       1.102233  -2.664888      5.318705  
1 1 1 23 41 2  o 24.20488 2.261809  6.940798       0.9354656 5.505631       1.654839  7.614787       1.134047  -5.489452      4.523619  
1 1 1 23 41 3  o 32.41502 1.290981  10.88834       0.8367190 11.21880       1.198089  10.57371       1.169044  0.9657917      2.581963  
1 1 1 23 41 4  o 52.64810 1.091712  28.56094       1.143443  29.40563       1.554480  27.56504       1.687890  1.866348       2.183425  
1 1 1 23 41 5  o 18.74125 2.894930  4.900297       0.9057682 5.304969       1.015514  3.325733       2.003153  7.106316       5.789861  
1 1 1 23 41 6  o 10.99161 3.094927  1.036320       0.8880213 0.6859015      1.012874  2.200653       1.846293  -3.940396      6.189853  
1 1 1 23 41 7  o 16.98627 2.627652  4.815877       1.046756  6.247899       1.183661  -0.3226334     2.242183  14.02118       5.255304  
1 1 1 23 41 8  o 11.18624 3.259461  1.545573       1.157455  1.749976       1.367740  1.029878       2.172484  0.6563244      6.518922  
1 1 1 23 42 0  o 6.595012 3.071891  0.1382671      0.9413702 0.7612450E-01  1.157161  0.2598747      1.618750  0.000000       0.000000  
1 1 1 23 42 1  o 11.74163 2.759695  1.578822       0.7616047 2.134246       1.166885  1.166620       1.005243  2.817444       5.519390  
1 1 1 23 42 2  o 17.03503 2.328179  3.371626       0.7624472 3.415006       1.044828  3.322213       1.115128  0.4408016      4.656358  
1 1 1 23 42 3  o 20.47067 2.161709  4.581527       0.8405240 3.364023       1.096436  6.316764       1.308964  -7.050694      4.323419  
1 1 1 23 42 4  o 14.29052 2.687728  2.370506       0.7685760 1.846426       0.9661130 3.273949       1.268468  -3.908675      5.375457  
1 1 1 23 42 5  o 17.95449 2.670072  4.172475       0.8877101 4.641318       1.083937  3.217522       1.546968  5.200709       5.340143  
1 1 1 23 42 6  o 11.29384 3.014801  1.498029       0.9717298 1.998030       1.256684  0.7545116      1.532449  2.434024       6.029602  
1 1 1 23 42 7  o 16.38755 3.364336  4.383755       1.273533  5.088433       1.528655  2.785054       2.302489  6.696010       6.728673  
1 1 1 23 43 0  o 10.52315 3.818293  1.974228       1.012209  2.062488       1.258352  1.812424       1.703775  0.000000       0.000000  
1 1 1 23 43 1  o 27.53106 1.578894  7.862935       0.8494949 7.092726       1.073326  9.154361       1.389833  -3.269224      3.157789  
1 1 1 23 43 2  o 14.72778 2.668999  2.815542       0.8303087 3.587126       1.095795  1.775286       1.272354  5.599244       5.337999  
1 1 1 23 43 3  o 8.529837 2.651360  0.1630740      0.8862547 -0.3280635     1.384779  0.5038040      1.153411  -0.7142239     5.302720  
1 1 1 23 43 4  o 22.54563 2.042313  5.646947       0.9128504 6.661401       1.331007  4.746003       1.254333  4.095707       4.084625  
1 1 1 23 43 5  o 7.275660 2.433530  -0.8762729     0.9341376 -0.5581070     1.218794  -1.329300      1.454339  0.1210680      4.867061  
1 1 1 23 43 6  o 13.02640 3.457182  2.142999       1.245636  4.464290       2.083523  0.8518034      1.553923  6.390675       6.914364  
1 1 1 23 44 0  o 6.725547 3.257419  -0.3576581     1.285044  -0.8140671E-01 1.554620  -0.9535846     2.283328  0.000000       0.000000  
1 1 1 23 44 1  o 22.95904 2.744451  6.425243       1.229152  6.492622       1.689093  6.349401       1.792040  0.9412155      5.488901  
1 1 1 23 44 2  o 26.66898 2.113005  8.052805       1.126748  8.096202       1.612794  8.011429       1.574809  0.7481384E-01  4.226010  
1 1 1 23 44 3  o 17.30335 2.665819  3.792635       0.8967250 3.976900       1.254245  3.599961       1.282550  1.164684       5.331638  
1 1 1 23 44 4  o 11.66916 3.076017  1.892359       1.018387  2.431165       1.296417  1.024092       1.645716  2.940406       6.152035  
1 1 1 23 44 5  o 12.63916 3.357418  2.381631       1.157470  2.162415       1.710542  2.566784       1.572035  -0.9413767     6.714837  
1 1 1 23 45 0  f 13.22184 6.463017  3.509829       2.002660  3.509829       2.002660  3.509829       2.002660  0.000000       0.000000  
1 1 1 23 45 1  o 28.69874 1.959965  9.546622       1.097324  8.252522       1.650283  10.57225       1.469160  -4.495476      3.919930  
1 1 1 23 45 2  o 24.39771 2.095459  6.815780       1.003128  7.421882       1.600397  6.423563       1.287413  1.197075       4.190918  
1 1 1 24 0  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 0  1  o 5.385900 2.718610  -2.204893      1.198125  -3.455693      1.765785  -1.137713      1.631034  0.000000       0.000000  
1 1 1 24 0  2  o 25.17622 1.847870  6.549162       0.9119073 6.563914       1.268415  6.533380       1.311950  0.000000       0.000000  
1 1 1 24 0  3  o 81.81570 1.223507  66.85883       1.995709  64.12092       2.715806  70.07296       2.942525  0.000000       0.000000  
1 1 1 24 0  4  o 38.95394 1.826862  15.53049       1.298636  15.03356       2.321486  15.75681       1.566700  0.000000       0.000000  
1 1 1 24 0  5  o 29.36592 2.288820  8.788939       1.328193  8.788939       1.328193  8.788939       1.328193  0.000000       0.000000  
1 1 1 24 0  6  o 76.51111 1.550000  59.02581       2.270427  57.75510       3.769292  59.74939       2.844315  0.000000       0.000000  
1 1 1 24 0  7  o 14.65890 3.225522  2.914335       0.5716030 2.981445       0.6007348 2.272310       1.858092  0.000000       0.000000  
1 1 1 24 0  8  o 11.60237 4.127898  1.669924       1.448294  -0.5448456     2.225251  3.297570       1.907632  0.000000       0.000000  
1 1 1 24 0  9  o 51.47768 2.741803  26.80933       2.805935  26.80933       2.805935  26.80933       2.805935  0.000000       0.000000  
1 1 1 24 0  10 o 49.22928 3.077867  24.63686       3.006007  24.63686       3.006007  24.63686       3.006007  0.000000       0.000000  
1 1 1 24 0  11 o 54.91805 1.958269  30.80739       2.119991  27.80901       3.103371  33.43090       2.902900  0.000000       0.000000  
1 1 1 24 0  12 o 41.73390 2.174510  18.02212       1.765186  16.67416       2.686092  19.04674       2.341863  0.000000       0.000000  
1 1 1 24 0  13 o 125.5214 2.425784  160.3110       6.076188  159.7116       8.732324  160.8736       8.460191  0.000000       0.000000  
1 1 1 24 0  14 o 54.56646 1.929627  29.15952       2.042986  35.73864       3.377238  25.36250       2.565662  0.000000       0.000000  
1 1 1 24 0  15 o 18.62094 4.349337  4.280189       1.486837  6.970126       2.491559  2.792491       1.852923  0.000000       0.000000  
1 1 1 24 0  16 o 16.43757 4.883225  3.903196       1.487920  4.635170       2.886829  3.638399       1.736318  0.000000       0.000000  
1 1 1 24 0  17 o 19.01761 4.993686  4.813994       1.614206  6.428135       3.102424  4.214809       1.890213  0.000000       0.000000  
1 1 1 24 0  18 o 41.70874 2.806968  18.01725       2.170576  22.62317       3.916017  15.97463       2.607833  0.000000       0.000000  
1 1 1 24 0  19 o 27.83386 6.259304  10.27072       3.035673  10.27072       3.035673  10.27072       3.035673  0.000000       0.000000  
1 1 1 24 0  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 1  0  o 98.15402 1.351313  96.27334       2.645766  100.4026       3.885206  92.70250       3.612966  0.000000       0.000000  
1 1 1 24 1  1  o 98.71135 1.034854  97.31919       2.017105  98.72063       3.120924  96.31380       2.643409  1.206741       2.069708  
1 1 1 24 1  2  o 101.0368 1.048354  102.3590       2.102594  100.5117       3.158166  103.8297       2.817878  -1.650887      2.096709  
1 1 1 24 1  3  o 118.1059 1.182177  139.0668       2.753305  136.3611       3.588459  142.9394       4.293130  -2.763687      2.364353  
1 1 1 24 1  4  o 42.27549 0.9467862 17.87525       0.8002072 18.59022       1.144741  17.19205       1.119025  1.652988       1.893572  
1 1 1 24 1  5  o 136.4655 1.604221  185.0872       4.242439  180.5946       5.342116  192.7588       6.980883  -4.380203      3.208443  
1 1 1 24 1  6  o 128.1056 1.678107  0.000000       0.000000  ?              ?         164.3228       4.299499  ?              ?         
1 1 1 24 1  7  o 33.10832 1.412502  10.86111       0.9254360 10.20037       1.209324  11.79486       1.437610  -2.396803      2.825004  
1 1 1 24 1  8  o 56.52192 1.299622  31.28368       1.451654  38.61798       2.246070  26.02225       1.902372  11.12386       2.599245  
1 1 1 24 1  9  o 65.87615 2.668781  0.000000       0.000000  ?              ?         43.66446       3.516180  ?              ?         
1 1 1 24 1  10 o 13.18600 3.789045  0.7392123      1.564805  0.3459430      2.132268  1.198215       2.303586  -1.714095      7.578090  
1 1 1 24 1  11 o 54.29717 1.315233  29.43562       1.422880  27.45337       1.913324  31.88836       2.128314  -4.055084      2.630465  
1 1 1 24 1  12 o 57.01159 1.312777  32.55880       1.493641  30.16626       2.038285  35.33356       2.195071  -4.506382      2.625553  
1 1 1 24 1  13 o 20.83984 3.740022  0.000000       0.000000  ?              ?         4.623866       1.502252  ?              ?         
1 1 1 24 1  14 o 23.89590 3.243658  5.889800       1.550202  5.889800       1.550202  ?              ?         ?              ?         
1 1 1 24 1  15 o 37.57884 1.708368  14.48095       1.279552  15.31400       1.775032  13.57977       1.846184  2.340023       3.416736  
1 1 1 24 1  16 o 17.00841 3.019196  3.189567       1.083267  1.761941       1.474940  4.861528       1.596174  -7.939484      6.038393  
1 1 1 24 1  17 o 13.33994 4.858313  0.000000       0.000000  ?              ?         1.813517       1.682822  ?              ?         
1 1 1 24 1  18 o 34.44580 2.139487  12.83601       1.456053  10.40488       1.988636  15.64548       2.137783  -7.392517      4.278974  
1 1 1 24 1  19 o 13.59600 5.753926  2.364184       2.703907  2.364184       2.703907  ?              ?         ?              ?         
1 1 1 24 1  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 2  0  o 61.50880 1.326836  38.50146       1.563171  35.96642       2.557219  40.01382       1.975157  0.000000       0.000000  
1 1 1 24 2  1  o 38.18333 1.178472  14.76255       0.8220283 14.17716       1.493858  15.01678       0.9844822 -1.114136      2.356945  
1 1 1 24 2  2  o 122.8330 1.210677  151.4695       2.955018  146.9434       4.400828  155.1857       3.987701  -3.367599      2.421354  
1 1 1 24 2  3  o 37.33388 1.018901  13.99376       0.7571545 14.48859       1.032862  13.41895       1.113202  1.434628       2.037802  
1 1 1 24 2  4  o 48.12029 0.9365645 22.32522       0.8716580 26.45534       1.474115  20.10476       1.080865  6.588722       1.873129  
1 1 1 24 2  5  o 56.41872 1.168734  31.84128       1.317318  31.34884       1.814970  32.38950       1.914990  -0.9188118     2.337468  
1 1 1 24 2  6  o 75.93188 1.061999  0.000000       0.000000  ?              ?         57.68650       1.612792  ?              ?         
1 1 1 24 2  7  o 101.6725 1.419307  102.1907       2.863889  115.0612       4.395885  92.69941       3.774958  10.96626       2.838614  
1 1 1 24 2  8  o 56.82204 1.547292  29.25174       1.589548  25.63237       1.839527  39.92019       3.158203  -12.48642      3.094584  
1 1 1 24 2  9  o 77.52298 1.664945  61.31566       2.386421  62.90810       2.892189  57.91873       4.224142  3.351982       3.329891  
1 1 1 24 2  10 o 13.50172 3.841083  0.9344150      1.584781  0.8910488      2.145648  0.9864710      2.350816  -0.6122179     7.682167  
1 1 1 24 2  11 o 39.90170 1.522329  16.04536       1.213084  16.39957       1.682303  15.66169       1.750869  0.9353256      3.044657  
1 1 1 24 2  12 o 24.09443 2.125385  5.855399       1.007598  4.528146       1.365051  7.444225       1.493517  -6.017759      4.250770  
1 1 1 24 2  13 o 93.05260 1.972061  87.46021       3.670109  87.46021       3.670109  ?              ?         ?              ?         
1 1 1 24 2  14 o 37.56099 1.567625  14.35887       1.166766  14.66296       1.558228  13.97078       1.760303  0.9880028      3.135249  
1 1 1 24 2  15 o 45.89513 1.471834  21.32339       1.347897  20.07816       1.832154  22.79249       1.990050  -2.894070      2.943669  
1 1 1 24 2  16 o 9.082148 2.840167  -0.2491197     1.015747  -0.4585238     1.390013  -0.9167355E-02 1.487951  -0.9689026     5.680334  
1 1 1 24 2  17 o 30.96197 2.159777  9.920389       1.317775  7.822732       1.762121  12.58209       1.984945  -7.503922      4.319555  
1 1 1 24 2  18 o 31.46412 2.207712  10.84557       1.385378  11.53670       1.941723  10.12896       1.977201  2.289968       4.415423  
1 1 1 24 2  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 2  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 3  0  o 44.82555 1.248846  20.19246       1.114302  20.29770       1.620584  20.09808       1.534647  0.000000       0.000000  
1 1 1 24 3  1  o 104.2497 1.145279  108.7462       2.386912  109.9331       3.432752  107.6352       3.321218  1.098885       2.290558  
1 1 1 24 3  2  o 132.1675 1.442143  177.9609       3.712721  190.4849       4.839921  160.0536       5.787352  11.54633       2.884287  
1 1 1 24 3  3  o 73.53753 0.9163641 54.28099       1.335904  55.48231       1.786269  52.75627       2.012386  1.858826       1.832728  
1 1 1 24 3  4  o 80.06560 0.9321885 64.16564       1.486877  64.35149       2.017047  63.94447       2.200422  0.2588272      1.864377  
1 1 1 24 3  5  o 31.83587 1.199002  10.02652       0.6177183 10.35428       1.370837  9.943004       0.6919516 0.6227055      2.398004  
1 1 1 24 3  6  o 37.36878 1.145917  13.76641       0.8376642 14.98311       1.355296  13.01430       1.065561  2.623405       2.291834  
1 1 1 24 3  7  o 51.61341 0.9958943 26.74693       1.019071  27.32228       1.362710  26.01691       1.534990  1.270546       1.991789  
1 1 1 24 3  8  o 81.94003 1.582055  67.04225       2.431333  66.47951       2.956720  68.21737       4.272666  -0.9725571     3.164109  
1 1 1 24 3  9  o 75.51375 1.635058  55.56937       2.192174  53.65558       2.545609  61.06174       4.312454  -4.724937      3.270115  
1 1 1 24 3  10 o 19.30074 4.223817  3.262643       1.764858  1.971396       2.145121  5.967659       3.104789  -8.408942      8.447635  
1 1 1 24 3  11 o 50.94437 1.411284  24.75484       1.399273  20.16275       1.753173  32.81393       2.322539  -12.33340      2.822567  
1 1 1 24 3  12 o 39.86075 1.550924  16.15782       1.213115  16.77880       1.588139  15.28792       1.879682  1.926769       3.101849  
1 1 1 24 3  13 o 20.24464 3.342008  4.217315       1.353155  4.217315       1.353155  ?              ?         ?              ?         
1 1 1 24 3  14 o 37.46053 1.699392  14.63237       1.237611  17.72773       1.704431  11.18031       1.799966  8.772358       3.398784  
1 1 1 24 3  15 o 19.40633 2.750422  3.860773       1.119346  1.130390       1.470067  7.627707       1.726710  -15.36361      5.500845  
1 1 1 24 3  16 o 22.17451 2.657461  5.425706       1.125848  5.934662       1.502166  4.773392       1.700616  3.164614       5.314922  
1 1 1 24 3  17 o 11.07222 3.124453  0.8837538      1.051369  1.233566       1.350486  0.3455380      1.675140  0.9802217      6.248906  
1 1 1 24 3  18 o 11.95828 3.366009  1.406894       1.211123  1.558514       1.674373  1.240515       1.753971  0.4854975      6.732018  
1 1 1 24 3  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 3  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 4  0  o 60.73766 1.755488  36.57813       1.714975  38.02848       3.815374  36.21090       1.919852  0.000000       0.000000  
1 1 1 24 4  1  o 111.3340 1.135964  122.8701       2.478189  118.3869       3.173234  129.8796       3.967810  -5.138733      2.271928  
1 1 1 24 4  2  o 62.92836 0.8148050 39.54576       1.024336  37.09587       1.417378  42.22430       1.482044  -4.073479      1.629610  
1 1 1 24 4  3  o 57.55348 0.8178310 33.14761       0.9410294 32.07724       1.329971  34.22071       1.331663  -1.862118      1.635662  
1 1 1 24 4  4  f 18.26563 1.602027  3.326606       0.5604777 3.399704       0.9440646 3.286818       0.6965079 0.2981758      3.204053  
1 1 1 24 4  5  o 84.71088 1.039232  71.00369       1.554047  73.57571       3.044988  70.09781       1.807117  2.014755       2.078464  
1 1 1 24 4  6  o 50.96510 1.324791  0.000000       0.000000  ?              ?         25.99574       1.350362  ?              ?         
1 1 1 24 4  7  o 57.89867 1.108062  32.55514       1.246492  37.74091       2.076189  29.63244       1.558663  6.981930       2.216124  
1 1 1 24 4  8  o 90.17678 1.187436  82.33848       2.118576  91.48241       2.909553  72.01919       3.090901  10.80112       2.374871  
1 1 1 24 4  9  o 36.88676 2.155522  13.67367       1.290780  13.63985       1.450218  13.80262       2.831616  -0.3860855E-01 4.311043  
1 1 1 24 4  10 o 13.42002 3.848375  0.9050307      1.553967  1.117814       1.904988  0.4818348      2.686548  -0.8094730     7.696750  
1 1 1 24 4  11 o 12.06904 2.990393  1.309448       0.9475764 1.956804       1.179597  0.1317311      1.591047  3.273302       5.980785  
1 1 1 24 4  12 o 23.11428 2.243033  5.419375       1.025738  5.302536       1.348681  5.579690       1.579805  -0.5332222     4.486066  
1 1 1 24 4  13 f 42.25968 1.441648  17.92893       1.202153  17.33410       1.565293  18.78432       1.877062  -1.633469      2.883295  
1 1 1 24 4  14 o 74.62793 1.348433  55.88885       1.996120  53.30274       2.634388  59.37534       3.058796  -3.948036      2.696865  
1 1 1 24 4  15 o 8.589834 2.716267  -0.6716719     1.004927  0.2406063      1.345114  -1.824072      1.511809  2.109869       5.432535  
1 1 1 24 4  16 o 15.36249 3.252395  2.694247       1.091593  3.145023       1.509136  2.199610       1.580851  2.441465       6.504791  
1 1 1 24 4  17 o 21.74811 2.911119  5.379393       1.196537  5.816813       1.535206  4.702475       1.909789  3.353115       5.822239  
1 1 1 24 4  18 o 13.18570 4.035369  1.301431       1.993127  2.250648       2.739358  0.2336728      2.905377  2.067470       8.070738  
1 1 1 24 4  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 4  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 5  0  o 197.6473 2.999035  393.3450       11.16445  389.6733       19.28077  395.1971       13.69375  0.000000       0.000000  
1 1 1 24 5  1  o 137.3749 1.432003  188.9044       3.932009  186.5648       5.452066  191.4404       5.676101  -1.766495      2.864006  
1 1 1 24 5  2  o 96.73912 1.040689  92.56879       1.974270  88.43174       2.528181  99.03448       3.160604  -5.463280      2.081379  
1 1 1 24 5  3  o 44.69032 0.9738699 20.62452       0.7822320 18.50863       1.434283  21.52032       0.9332420 -3.381878      1.947740  
1 1 1 24 5  4  o 16.21324 1.795538  2.438133       0.5449495 3.681514       0.9479336 1.824366       0.6660048 5.901503       3.591075  
1 1 1 24 5  5  o 46.54831 0.9994423 21.64599       0.8750586 21.80521       1.525761  21.56795       1.068200  0.2408905      1.998885  
1 1 1 24 5  6  o 59.30900 1.436126  35.55032       1.557125  36.01181       1.863868  34.48401       2.833189  1.333313       2.872252  
1 1 1 24 5  7  o 53.23853 1.109981  27.04581       1.120376  24.50300       1.355029  32.54081       1.991940  -7.523335      2.219961  
1 1 1 24 5  8  o 69.72539 1.302282  48.66996       1.816043  48.66996       1.816043  ?              ?         ?              ?         
1 1 1 24 5  9  o 30.46827 1.931010  9.490523       1.110797  9.806296       1.374964  8.897181       1.884766  1.554577       3.862021  
1 1 1 24 5  10 o 26.29780 3.416194  7.210178       1.668295  7.152151       2.057540  7.321542       2.850350  0.4117985      6.832389  
1 1 1 24 5  11 o 26.84861 2.247653  7.314555       1.205141  7.353855       1.754565  7.279454       1.658172  0.1158199      4.495306  
1 1 1 24 5  12 o 9.967699 2.897745  0.2892435      0.9030397 0.3593851E-02  1.135878  0.7799178      1.488715  -2.622085      5.795491  
1 1 1 24 5  13 o 15.72573 2.901722  2.362408       0.9631959 1.188689       1.222326  4.285144       1.564461  -8.451638      5.803445  
1 1 1 24 5  14 o 16.15034 3.064300  2.481897       1.071662  1.113877       1.364557  4.683706       1.731153  -9.152541      6.128599  
1 1 1 24 5  15 o 19.32947 2.835304  4.207743       1.065703  5.057331       1.417127  3.101876       1.616799  5.410278       5.670608  
1 1 1 24 5  16 o 30.70212 1.956429  9.676638       1.183553  9.064023       1.528564  10.59375       1.870255  -2.238289      3.912858  
1 1 1 24 5  17 o 21.65280 2.834107  5.403025       1.165065  6.557053       1.565324  3.969682       1.744501  6.478436       5.668215  
1 1 1 24 5  18 o 13.04245 4.056041  1.034232       2.029173  0.3496764      2.679473  1.954760       3.107158  -2.181609      8.112082  
1 1 1 24 5  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 5  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 6  0  o 42.22742 1.334699  18.13868       1.102412  16.82433       1.689780  19.11265       1.454609  0.000000       0.000000  
1 1 1 24 6  1  o 111.4571 1.155566  124.5042       2.546331  125.4106       3.362740  123.2861       3.898475  0.9687729      2.311132  
1 1 1 24 6  2  o 67.98589 0.9693758 45.43008       1.242087  48.68439       2.188444  43.88359       1.508619  3.513824       1.938752  
1 1 1 24 6  3  o 96.93904 0.9739954 94.43485       1.840695  92.23769       2.935511  95.85851       2.362945  -1.882439      1.947991  
1 1 1 24 6  4  o 32.73092 1.008672  9.828266       0.6268228 13.77449       1.125002  8.051646       0.7548487 8.731440       2.017343  
1 1 1 24 6  5  o 80.93819 1.034627  65.04908       1.541972  66.91100       2.811815  64.24833       1.843973  1.613739       2.069255  
1 1 1 24 6  6  o 89.85371 1.480461  80.82135       2.660498  80.82135       2.660498  ?              ?         ?              ?         
1 1 1 24 6  7  o 46.10085 1.014192  21.30148       0.9339392 22.26108       1.310988  20.31264       1.330814  2.113987       2.028385  
1 1 1 24 6  8  o 26.90912 1.588265  7.237862       0.8451574 7.450530       1.304634  7.084077       1.109421  0.6658649      3.176529  
1 1 1 24 6  9  o 29.13751 1.215385  8.552409       0.7018608 8.838656       0.9410046 8.193501       1.053688  1.115988       2.430769  
1 1 1 24 6  10 f 46.74784 2.608531  22.04131       2.438864  22.04131       2.438864  ?              ?         ?              ?         
1 1 1 24 6  11 o 64.31810 1.687735  41.77757       2.165080  42.60065       2.971690  40.84637       3.160826  1.397331       3.375470  
1 1 1 24 6  12 o 22.03371 2.256967  4.893730       0.9629415 4.742768       1.210119  5.154335       1.589965  -0.8226910     4.513934  
1 1 1 24 6  13 f 25.50121 2.114905  6.968259       1.010292  7.781539       1.276499  5.604653       1.652892  4.408369       4.229811  
1 1 1 24 6  14 o 34.89548 1.704703  12.41369       1.152818  12.48369       1.463215  12.29911       1.871927  0.4125748      3.409406  
1 1 1 24 6  15 o 17.82719 3.046137  3.521858       1.046783  3.485096       1.314347  3.585620       1.730982  0.3984833E-01  6.092274  
1 1 1 24 6  16 o 28.60500 3.140737  0.000000       0.000000  ?              ?         8.610226       1.796816  ?              ?         
1 1 1 24 6  17 o 24.70675 2.515431  6.328120       1.216430  5.257358       1.541367  8.096213       1.980670  -5.244219      5.030863  
1 1 1 24 6  18 o 13.75851 4.106489  1.793110       1.938450  1.067901       2.615644  2.676714       2.887191  -2.233500      8.212977  
1 1 1 24 6  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 6  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 7  0  o 10.98559 3.663985  1.794331       0.9220309 1.449259       1.431140  2.039201       1.205578  0.000000       0.000000  
1 1 1 24 7  1  o 105.7688 1.089999  111.7786       2.285758  113.3809       3.480211  110.5630       3.031205  1.319450       2.179999  
1 1 1 24 7  2  o 70.75421 0.9361964 50.81097       1.235282  48.08183       2.154457  52.14753       1.507723  -2.888725      1.872393  
1 1 1 24 7  3  o 44.70206 0.8345518 19.67349       0.7171172 21.13186       1.211533  18.88699       0.8897181 2.503555       1.669104  
1 1 1 24 7  4  o 19.66285 1.770644  3.431433       0.6307867 4.981291       1.257743  2.910603       0.7291115 5.237446       3.541288  
1 1 1 24 7  5  o 66.31828 0.8747339 44.06283       1.157092  43.26714       1.691275  44.76299       1.586497  -1.130745      1.749468  
1 1 1 24 7  6  o 61.80641 1.309893  38.23200       1.619196  38.23200       1.619196  ?              ?         ?              ?         
1 1 1 24 7  7  o 107.5324 1.391327  113.4487       2.817891  108.9524       3.416539  123.0147       4.983409  -6.455788      2.782654  
1 1 1 24 7  8  o 71.31622 1.115006  51.73116       1.545068  54.62895       1.996424  47.40347       2.439763  5.091164       2.230011  
1 1 1 24 7  9  o 59.74287 0.9608071 35.91400       1.140200  37.36209       1.544384  34.17898       1.690474  2.673157       1.921614  
1 1 1 24 7  10 o 26.69561 2.014014  7.935963       0.8016948 8.373689       0.8926756 6.110966       1.822735  4.393084       4.028028  
1 1 1 24 7  11 o 26.55046 2.611813  7.243364       1.339857  7.399485       1.700768  6.987970       2.175314  0.9043674      5.223627  
1 1 1 24 7  12 o 12.55581 3.077113  1.475723       0.9079821 1.469960       1.112638  1.487212       1.571002  -0.8208628     6.154227  
1 1 1 24 7  13 o 29.84056 1.795822  8.738516       1.021169  8.071412       1.245848  10.10427       1.782604  -3.225096      3.591645  
1 1 1 24 7  14 o 9.599453 2.875521  -0.4793611     0.9735381 -1.375204      1.206517  1.192325       1.648143  -5.424219      5.751042  
1 1 1 24 7  15 o 13.08582 2.930062  1.772547       0.9953181 2.893811       1.268648  -0.2249633E-01 1.605183  6.223400       5.860125  
1 1 1 24 7  16 f 37.62986 1.791597  14.81865       1.291485  15.35208       1.628884  13.91568       2.119282  2.224087       3.583193  
1 1 1 24 7  17 o 14.16503 3.108539  2.374748       1.049381  3.211391       1.356343  1.127145       1.656295  4.970031       6.217079  
1 1 1 24 7  18 o 15.36869 4.242727  3.064827       1.884210  2.545597       2.552145  3.686923       2.793536  -1.768909      8.485454  
1 1 1 24 7  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 7  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 8  0  o 148.0213 2.290989  215.9755       6.266375  229.9710       11.41947  209.9454       7.495753  0.000000       0.000000  
1 1 1 24 8  1  o 106.1289 1.181561  112.7130       2.504930  111.9995       3.453535  113.5050       3.638729  -0.7034683     2.363122  
1 1 1 24 8  2  f 84.72624 0.9018651 72.28447       1.496414  69.50785       2.345609  74.19016       1.943227  -2.772957      1.803730  
1 1 1 24 8  3  o 68.44900 0.8394920 46.96196       1.119215  46.51255       1.795948  47.24733       1.431090  -0.5453949     1.678984  
1 1 1 24 8  4  o 99.20522 1.048351  98.48659       2.057510  98.67514       3.151488  98.34651       2.716291  0.1516418      2.096703  
1 1 1 24 8  5  o 116.9904 1.183129  136.4383       2.731655  140.7056       4.250421  133.4356       3.565497  3.080429       2.366258  
1 1 1 24 8  6  o 77.08144 0.9504321 59.46905       1.465039  59.41490       2.087540  59.52161       2.056564  -0.7023621E-01 1.900864  
1 1 1 24 8  7  o 71.12296 1.081289  49.22871       1.471775  55.46728       2.535083  46.05691       1.807599  6.583961       2.162578  
1 1 1 24 8  8  o 33.28583 1.695906  10.91023       0.9339527 10.74311       1.053237  11.52520       2.020413  -1.085781      3.391812  
1 1 1 24 8  9  o 27.69813 1.491715  8.170349       0.7767012 9.776157       1.012609  5.875393       1.210548  7.060253       2.983431  
1 1 1 24 8  10 o 11.77448 2.334937  1.500521       0.6017599 1.975302       0.7701091 0.7561049      0.9643033 3.891495       4.669874  
1 1 1 24 8  11 o 23.62266 2.640944  5.419162       1.046432  5.084871       1.192796  6.536067       2.180278  -2.385336      5.281888  
1 1 1 24 8  12 o 33.67677 1.630676  11.34131       1.053091  11.05402       1.307077  11.87282       1.777832  -1.110203      3.261352  
1 1 1 24 8  13 o 15.93159 3.046475  2.501920       0.9566267 1.915015       1.162768  3.731272       1.682856  -4.999549      6.092950  
1 1 1 24 8  14 o 9.941608 2.959687  0.2185436      0.9543599 0.4965711E-01  1.173805  0.5479162      1.639239  -2.291333      5.919373  
1 1 1 24 8  15 o 18.86585 3.056422  3.946308       1.091215  3.935400       1.355155  3.966424       1.840285  0.3511524      6.112844  
1 1 1 24 8  16 o 8.727699 2.804589  -0.5848150     1.034279  -0.3862839     1.278947  -0.9600551     1.758300  -0.8070898     5.609178  
1 1 1 24 8  17 o 11.74010 3.182936  1.349221       1.054719  1.688511       1.305576  0.7117599      1.789546  1.226199       6.365871  
1 1 1 24 8  18 o 13.45638 3.838748  0.8996325      1.842578  -2.169430      2.512226  4.472709       2.710672  -7.986375      7.677495  
1 1 1 24 8  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 8  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 9  0  o 6.735667 3.045090  0.6342527E-01  0.9275343 -0.9497157     1.571055  0.6055163      1.149192  0.000000       0.000000  
1 1 1 24 9  1  o 45.42345 0.8609818 20.84656       0.7739195 23.73366       1.077564  17.77070       1.112234  6.564556       1.721964  
1 1 1 24 9  2  o 63.42122 0.8154359 39.91130       1.001902  41.56126       1.649971  38.94758       1.260999  2.051723       1.630872  
1 1 1 24 9  3  o 74.23432 1.007920  53.02096       1.381958  60.68676       2.565565  49.88757       1.640257  7.246277       2.015841  
1 1 1 24 9  4  o 120.6500 1.161534  146.2061       2.730064  143.6572       4.369191  147.8387       3.496722  -1.764870      2.323067  
1 1 1 24 9  5  o 17.32181 1.950254  2.741844       0.6225308 3.725630       1.192651  2.373431       0.7298455 3.872730       3.900508  
1 1 1 24 9  6  o 101.3763 1.275770  99.75972       2.448243  112.6698       4.320644  93.65421       2.971288  9.317513       2.551540  
1 1 1 24 9  7  o 92.33074 1.098338  86.17312       1.866994  83.31637       3.352738  87.45712       2.247742  -2.293335      2.196676  
1 1 1 24 9  8  o 44.68974 1.408548  19.49739       1.053833  19.06574       1.192119  21.04089       2.254253  -2.121258      2.817097  
1 1 1 24 9  9  o 38.59283 1.153827  15.02082       0.8564938 15.25983       1.077710  14.61103       1.411128  0.8675003      2.307654  
1 1 1 24 9  10 o 27.56221 1.469321  7.730552       0.7988613 9.026826       1.116730  6.371961       1.143258  4.819925       2.938641  
1 1 1 24 9  11 o 26.11401 1.357901  6.934945       0.6491483 7.052250       0.7788165 6.667979       1.174907  0.7941036      2.715801  
1 1 1 24 9  12 o 21.19155 2.511333  4.980266       0.9314837 5.449372       1.128209  3.975745       1.650948  4.010679       5.022667  
1 1 1 24 9  13 o 39.94728 1.535921  15.64507       1.142814  14.77477       1.367629  17.65898       2.080443  -3.381287      3.071843  
1 1 1 24 9  14 f 19.96267 4.169975  4.931708       1.738526  5.619772       1.947820  2.236213       3.855259  5.384481       8.339951  
1 1 1 24 9  15 o 10.86268 2.817615  -0.8114257     0.8973228 -2.148200      1.044378  2.958142       1.753778  -10.78908      5.635230  
1 1 1 24 9  16 o 19.64389 2.955440  4.032559       1.035734  3.612049       1.216802  5.138568       1.973383  -2.909212      5.910879  
1 1 1 24 9  17 o 17.15660 2.929102  3.609604       1.065755  4.775907       1.414272  2.076942       1.621252  7.455524       5.858204  
1 1 1 24 9  18 o 12.94093 3.585962  0.2711178      1.703907  4.557625       2.471076  -3.614410      2.352661  9.479558       7.171924  
1 1 1 24 9  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 9  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 10 0  o 86.41322 1.520248  74.15120       2.483818  77.12211       4.305276  72.66903       3.040921  0.000000       0.000000  
1 1 1 24 10 1  o 24.28552 1.238681  5.864965       0.5995814 5.333833       0.8109316 6.505467       0.8905177 -2.409416      2.477362  
1 1 1 24 10 2  o 44.27877 0.8649961 19.54502       0.7580159 19.13003       0.9973339 20.11266       1.166405  -1.105316      1.729992  
1 1 1 24 10 3  o 56.61816 0.7781610 32.06940       0.8810802 32.33496       1.256329  31.81239       1.235991  0.4609985      1.556322  
1 1 1 24 10 4  o 99.56192 1.289656  97.90359       2.484300  104.5985       4.126815  94.09844       3.111193  5.230492       2.579312  
1 1 1 24 10 5  o 149.3405 1.916427  223.6504       5.721873  230.8359       8.223252  216.9062       7.966745  4.646927       3.832854  
1 1 1 24 10 6  o 67.91769 0.8572910 46.39540       1.139380  45.01272       1.794527  47.32923       1.474775  -1.715500      1.714582  
1 1 1 24 10 7  f 63.56976 0.9625722 39.95463       1.121404  41.72154       2.069414  39.22007       1.334295  1.934834       1.925144  
1 1 1 24 10 8  o 27.86398 2.204958  8.503436       0.9358402 8.926736       1.045939  6.804368       2.095504  3.943623       4.409915  
1 1 1 24 10 9  o 9.538010 2.603439  0.4969635      0.7751063 1.186088       0.9020190 -1.448171      1.515450  2.917172       5.206877  
1 1 1 24 10 10 o 55.70061 1.069098  30.99018       1.188328  28.66250       1.620882  33.69521       1.747334  -4.503841      2.138196  
1 1 1 24 10 11 o 20.28421 1.767899  4.090107       0.6611012 3.986563       0.7893273 4.333433       1.210010  -0.7675438     3.535799  
1 1 1 24 10 12 o 10.13900 2.619599  0.5935643      0.7686218 -0.3557931     1.063251  1.632727       1.112405  -4.868989      5.239199  
1 1 1 24 10 13 o 23.41201 2.212274  4.838742       0.9556208 3.599493       1.119990  8.155870       1.832383  -9.387768      4.424547  
1 1 1 24 10 14 o 15.91178 4.210212  2.446118       1.652515  2.685804       1.874438  1.609882       3.501183  -0.2500401     8.420424  
1 1 1 24 10 15 f 20.46488 3.068061  4.383573       1.193295  3.421320       1.498830  6.049396       1.972070  -5.880215      6.136122  
1 1 1 24 10 16 f 27.33910 2.246362  8.347093       1.083518  9.025934       1.299329  6.797310       1.963226  4.624643       4.492724  
1 1 1 24 10 17 o 15.60036 3.299828  2.791753       1.089643  2.132857       1.369424  3.928853       1.798989  -4.273422      6.599655  
1 1 1 24 10 18 o 18.14885 4.185464  4.886015       1.826602  6.181423       2.528203  3.471408       2.641963  5.202459       8.370929  
1 1 1 24 10 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 11 0  o 128.9462 1.900490  169.5663       4.363718  160.4579       8.223059  173.1368       5.148447  0.000000       0.000000  
1 1 1 24 11 1  o 9.964601 2.326793  0.8821852      0.5740255 1.415783       0.8009920 0.3187985      0.8230466 3.492538       4.653585  
1 1 1 24 11 2  o 32.49670 1.048313  10.66440       0.6745647 12.14852       0.9419404 9.101895       0.9664900 4.688381       2.096626  
1 1 1 24 11 3  o 69.22168 0.8658420 47.99347       1.196406  48.73610       1.649164  47.16839       1.738299  1.134865       1.731684  
1 1 1 24 11 4  o 124.3246 1.451328  155.9734       3.579340  143.9764       5.281291  166.1656       4.867851  -8.943848      2.902656  
1 1 1 24 11 5  o 13.84491 2.201959  1.999448       0.5937533 1.955396       0.8105150 2.050468       0.8722697 -0.3246841     4.403919  
1 1 1 24 11 6  o 56.54691 1.030025  30.54588       1.091027  36.17752       1.984215  28.10535       1.306210  7.109955       2.060049  
1 1 1 24 11 7  o 41.31288 1.153939  17.24571       0.9087419 16.61542       1.523785  17.59361       1.132094  -1.207172      2.307879  
1 1 1 24 11 8  o 48.21872 1.391418  21.74854       1.109428  20.62586       1.241095  26.21349       2.475054  -5.684330      2.782836  
1 1 1 24 11 9  o 16.45186 2.690382  3.205779       0.8272681 3.747938       0.9658941 1.713139       1.602668  5.665822       5.380764  
1 1 1 24 11 10 o 46.83500 1.650573  0.000000       0.000000  ?              ?         22.02371       1.546091  ?              ?         
1 1 1 24 11 11 o 11.61147 2.910479  1.132904       0.6623738 1.115204       0.7158560 1.238256       1.746480  -2.367638      5.820958  
1 1 1 24 11 12 o 18.97650 1.795742  3.494176       0.6156395 3.288621       0.7194950 4.056032       1.189535  -1.869038      3.591484  
1 1 1 24 11 13 o 23.23115 1.733249  5.519622       0.7963306 5.310496       1.206506  5.681051       1.060023  -0.8513393     3.466498  
1 1 1 24 11 14 o 10.51698 2.754268  0.9694090      0.7966294 -0.8326182     1.719038  1.462239       0.8989871 -2.463442      5.508536  
1 1 1 24 11 15 o 17.30375 3.532947  3.233550       1.206150  2.954900       1.433472  3.909131       2.232023  -2.095230      7.065893  
1 1 1 24 11 16 o 30.43935 2.014246  9.196001       1.121202  8.517467       1.319276  10.96056       2.127492  -3.362890      4.028491  
1 1 1 24 11 17 o 16.77064 3.131908  3.585882       1.105848  4.356560       1.422969  2.410657       1.757194  5.318833       6.263817  
1 1 1 24 11 18 o 16.75835 3.869411  3.843403       1.865074  6.637961       2.457025  0.4391107E-01  2.864941  10.23791       7.738822  
1 1 1 24 11 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 12 0  o 37.51118 1.527032  14.52277       0.9840401 13.62680       1.929230  14.83785       1.144055  0.000000       0.000000  
1 1 1 24 12 1  o 54.76754 0.7932261 29.92606       0.8676162 28.26074       1.190130  31.81499       1.267513  -3.242928      1.586452  
1 1 1 24 12 2  o 84.93179 0.9570253 72.22580       1.608537  72.41475       2.127674  71.97374       2.457419  0.2697372      1.914051  
1 1 1 24 12 3  o 28.51030 1.303435  8.091748       0.7294627 7.892052       0.9397399 8.394491       1.157071  -0.8718014     2.606870  
1 1 1 24 12 4  o 97.15446 1.244359  95.21750       2.390246  89.41714       3.600946  99.78618       3.195834  -5.353493      2.488718  
1 1 1 24 12 5  o 109.4383 1.330883  120.3463       2.858629  118.0783       4.475600  121.9090       3.715187  -1.786880      2.661766  
1 1 1 24 12 6  o 112.1437 1.144219  126.3323       2.549892  129.5233       3.442489  122.4534       3.795482  3.169609       2.288438  
1 1 1 24 12 7  o 137.8840 1.525740  190.5117       3.960433  191.8901       6.891263  189.8319       4.839466  0.5641022      3.051481  
1 1 1 24 12 8  o 30.26717 1.128957  9.153450       0.6706650 9.032434       0.8659732 9.334817       1.060142  -0.4850006     2.257914  
1 1 1 24 12 9  f 52.28224 1.158487  27.45891       1.210065  28.24076       1.688912  26.63422       1.734582  1.541374       2.316975  
1 1 1 24 12 10 o 27.80785 1.493286  7.629052       0.8209860 6.789508       1.067008  8.847309       1.285334  -3.665586      2.986572  
1 1 1 24 12 11 o 22.45449 1.560387  4.925136       0.6521627 4.664282       0.7802358 5.529902       1.188012  -1.845154      3.120774  
1 1 1 24 12 12 o 42.43530 1.422123  18.08043       0.9226706 18.01680       1.017181  18.37593       2.191901  -0.1359634     2.844246  
1 1 1 24 12 13 o 51.77526 1.311940  25.82699       1.043888  25.15462       1.146374  29.09104       2.525804  -3.437107      2.623881  
1 1 1 24 12 14 o 22.63971 1.862415  5.282904       0.8361835 5.092187       1.252823  5.436115       1.122900  -0.8255005     3.724830  
1 1 1 24 12 15 o 23.72534 1.692945  5.468064       0.7762073 7.085889       1.323633  4.620103       0.9582736 4.983349       3.385890  
1 1 1 24 12 16 o 6.911845 2.231168  -0.5486274     0.6850969 -0.6964369     0.9342027 -0.3766403     1.007715  -0.7977552     4.462336  
1 1 1 24 12 17 o 14.50767 3.370224  2.196170       0.9035315 1.964635       0.9841551 3.438143       2.279348  -3.026909      6.740448  
1 1 1 24 12 18 o 33.40173 2.195268  11.76844       1.466515  11.76844       1.466515  ?              ?         ?              ?         
1 1 1 24 12 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 13 0  o 27.14801 2.131254  7.853059       0.9377747 7.065183       1.906599  8.104492       1.077065  0.000000       0.000000  
1 1 1 24 13 1  o 41.53545 0.9920325 17.28009       0.8061950 17.32820       1.038424  17.20709       1.279095  0.1535378      1.984065  
1 1 1 24 13 2  f 20.98341 1.518237  4.436635       0.6335817 4.850732       0.8819375 3.994991       0.9107989 2.040535       3.036474  
1 1 1 24 13 3  o 65.66985 0.8273970 43.07373       1.085525  44.86632       1.580814  41.47424       1.493253  2.580223       1.654794  
1 1 1 24 13 4  o 75.68683 0.9804963 57.26312       1.483095  54.41063       2.057855  60.34599       2.139342  -3.918175      1.960993  
1 1 1 24 13 5  o 27.45938 1.334040  7.615530       0.7192113 7.216823       1.113639  7.900810       0.9420061 -1.254332      2.668079  
1 1 1 24 13 6  o 37.30404 0.9499453 13.88754       0.7063249 13.41457       0.9538483 14.46176       1.050991  -1.399078      1.899891  
1 1 1 24 13 7  o 69.99930 1.062769  46.73325       1.408732  56.42010       2.512438  42.29133       1.701333  10.03646       2.125539  
1 1 1 24 13 8  o 70.53314 0.9111535 49.19184       1.258410  46.85801       1.605873  52.90540       2.025682  -4.258736      1.822307  
1 1 1 24 13 9  o 21.43806 1.904742  4.264207       0.7560112 3.720164       0.8904371 5.669152       1.430922  -4.443872      3.809484  
1 1 1 24 13 10 o 23.75940 1.808206  5.443117       0.8304120 4.768771       1.026663  6.719049       1.412214  -4.028605      3.616412  
1 1 1 24 13 11 o 34.43855 1.187726  11.68615       0.7124358 11.44731       0.8212082 12.41288       1.432444  -1.305485      2.375452  
1 1 1 24 13 12 o 23.94436 1.503288  5.482668       0.6067356 5.227642       0.6850255 6.410983       1.306960  -2.298061      3.006575  
1 1 1 24 13 13 o 22.72591 1.745490  5.218002       0.5982432 5.195600       0.6572685 5.326195       1.444413  -0.9176254E-02 3.490980  
1 1 1 24 13 14 o 31.62824 1.347222  10.28323       0.8279209 10.77397       1.067834  9.543633       1.310916  2.037699       2.694444  
1 1 1 24 13 15 o 25.87758 2.102640  7.092917       0.8992550 7.163456       1.022861  6.852828       1.887080  1.249317       4.205279  
1 1 1 24 13 16 o 30.49201 1.633752  9.434723       0.9963276 9.434723       0.9963276 ?              ?         ?              ?         
1 1 1 24 13 17 o 16.20755 2.079454  2.861656       0.6513813 3.720917       0.9654053 2.143565       0.8825457 4.988559       4.158907  
1 1 1 24 13 18 o 13.09881 5.462002  2.050287       2.378683  2.050287       2.378683  ?              ?         ?              ?         
1 1 1 24 13 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 14 0  o 175.4943 2.506142  313.9343       7.805952  299.0439       14.81101  319.6611       9.185178  0.000000       0.000000  
1 1 1 24 14 1  o 45.11427 0.9663551 19.99805       0.8559092 18.55795       1.094155  22.26883       1.373945  -4.103672      1.932710  
1 1 1 24 14 2  o 102.8706 1.075699  106.0944       2.200971  107.4664       2.971662  104.4271       3.275804  1.488358       2.151398  
1 1 1 24 14 3  o 57.14263 0.8240725 32.67427       0.9416868 32.01358       1.327918  33.34263       1.335608  -1.162701      1.648145  
1 1 1 24 14 4  o 123.2937 1.238551  151.8944       3.012761  150.0787       3.938051  154.4569       4.678314  -1.741379      2.477102  
1 1 1 24 14 5  o 97.94557 0.9823540 96.03995       1.924241  97.45381       2.732965  94.65001       2.709758  1.430321       1.964708  
1 1 1 24 14 6  o 27.33532 1.218663  7.469275       0.6652250 6.947297       0.9156218 8.052814       0.9681115 -2.018541      2.437325  
1 1 1 24 14 7  o 56.75555 1.424627  0.000000       0.000000  ?              ?         32.27229       1.617110  ?              ?         
1 1 1 24 14 8  o 49.07843 1.260224  25.07232       1.022414  25.81864       1.166061  22.59066       2.126325  3.386154       2.520449  
1 1 1 24 14 9  o 31.97630 0.9892594 10.18585       0.6305500 11.23447       0.9371188 9.318335       0.8523598 2.987534       1.978519  
1 1 1 24 14 10 o 29.58173 1.429345  8.133389       0.7938531 7.000625       0.9459532 10.83106       1.459804  -6.387228      2.858689  
1 1 1 24 14 11 o 10.16903 2.486207  1.012411       0.6165878 1.311412       0.7063636 0.5530510E-01  1.263780  1.977965       4.972413  
1 1 1 24 14 12 f 25.82675 1.643889  7.340052       0.6596889 7.731861       0.7426189 5.873836       1.436573  3.812698       3.287779  
1 1 1 24 14 13 o 22.51743 1.543222  4.890069       0.5828783 4.687951       0.6575340 5.631603       1.259452  -1.891054      3.086443  
1 1 1 24 14 14 o 37.23571 1.254277  14.11185       0.8983101 14.30491       1.130262  13.78074       1.480169  0.8284149      2.508554  
1 1 1 24 14 15 o 49.84245 1.396011  26.15034       1.202256  27.03335       1.401142  23.68534       2.341033  3.813919       2.792021  
1 1 1 24 14 16 o 16.49147 2.399017  2.984653       0.7605661 2.740068       1.011627  3.302644       1.153486  -1.517634      4.798034  
1 1 1 24 14 17 o 22.80896 1.979874  5.443600       0.8360420 8.199757       1.301204  3.505833       1.091049  10.24716       3.959749  
1 1 1 24 14 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 14 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 15 0  o 88.10295 1.491428  76.95060       2.267425  79.60420       4.585499  76.09178       2.608663  0.000000       0.000000  
1 1 1 24 15 1  o 79.18162 0.8829446 62.73689       1.398147  62.11906       1.962074  63.37424       1.992841  -0.7916565     1.765889  
1 1 1 24 15 2  o 60.99391 0.8534167 37.14378       1.039644  35.62992       1.425427  38.86440       1.519650  -2.648647      1.706833  
1 1 1 24 15 3  o 42.16495 1.197870  17.69380       0.9939322 18.41552       1.565006  17.20590       1.286758  1.422100       2.395741  
1 1 1 24 15 4  o 92.36895 1.030907  85.56193       1.882447  86.34589       2.486699  84.50967       2.880971  1.010574       2.061814  
1 1 1 24 15 5  o 83.89664 1.508027  74.46748       2.025133  77.31013       2.288460  64.20406       4.348399  7.954224       3.016054  
1 1 1 24 15 6  o 36.69835 1.004610  13.31360       0.7318982 12.04975       0.9660780 15.01623       1.121301  -4.031773      2.009219  
1 1 1 24 15 7  o 33.56544 1.146668  11.31043       0.7662449 11.12796       1.134391  11.46353       1.039132  -0.5073586     2.293336  
1 1 1 24 15 8  o 34.14687 1.319360  11.98862       0.8672975 12.88640       1.112262  10.59600       1.385285  3.386917       2.638719  
1 1 1 24 15 9  o 49.43229 0.8652628 24.37612       0.8450408 25.20389       1.310263  23.78661       1.105736  1.414940       1.730526  
1 1 1 24 15 10 o 89.78340 1.153460  81.26998       1.923499  81.73637       2.327349  80.26479       3.416693  0.9775772      2.306920  
1 1 1 24 15 11 o 24.47450 1.654012  5.924304       0.6787579 5.802389       0.7690474 6.353977       1.443758  -0.9307919     3.308024  
1 1 1 24 15 12 o 17.60200 2.296667  3.373609       0.6251366 3.452813       0.6988832 3.056608       1.398175  1.758549       4.593333  
1 1 1 24 15 13 o 56.24274 1.290619  32.09540       1.201946  32.18309       1.362455  31.78761       2.552489  0.6995735      2.581237  
1 1 1 24 15 14 o 28.84103 1.393252  8.282970       0.6753981 8.146416       0.7668239 8.755387       1.426280  -0.8047771     2.786504  
1 1 1 24 15 15 o 17.33458 2.294338  3.202761       0.7315449 3.167159       0.8932071 3.275299       1.274957  0.3383789      4.588676  
1 1 1 24 15 16 o 27.61731 1.615653  8.360620       0.8417709 10.11501       1.112181  6.007856       1.287956  7.588982       3.231305  
1 1 1 24 15 17 o 18.67221 2.365165  3.937823       0.8569671 3.710649       1.264157  4.130986       1.165692  -1.602833      4.730331  
1 1 1 24 15 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 15 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 16 0  o 40.68199 1.553605  17.10800       1.099844  15.89393       2.112663  17.55936       1.288170  0.000000       0.000000  
1 1 1 24 16 1  o 99.84904 1.072833  99.87222       2.126885  100.2864       2.844968  99.34742       3.202394  0.4841232      2.145666  
1 1 1 24 16 2  o 32.39302 1.238363  10.38409       0.7852869 9.928144       1.002253  11.10907       1.263811  -1.810616      2.476726  
1 1 1 24 16 3  o 53.78395 0.8601174 28.96456       0.9245636 29.34388       1.288739  28.56227       1.327169  0.7279625      1.720235  
1 1 1 24 16 4  o 50.04691 0.9815373 24.87456       0.9732535 26.51683       1.500322  23.68138       1.278834  2.822578       1.963075  
1 1 1 24 16 5  o 35.25666 1.340926  12.89588       0.8425258 13.46451       1.000263  11.50725       1.563121  2.818169       2.681852  
1 1 1 24 16 6  o 12.36436 2.540509  1.198532       0.6961932 0.4224305      0.8530504 2.746470       1.204737  -7.565814      5.081018  
1 1 1 24 16 7  o 64.02214 0.9336694 40.73879       1.186471  43.66543       1.814956  38.55475       1.567877  3.972664       1.867339  
1 1 1 24 16 8  o 26.75280 1.498017  7.179745       0.8015229 7.179745       0.8015229 ?              ?         ?              ?         
1 1 1 24 16 9  o 38.55317 1.104497  14.78518       0.8210374 15.41534       1.368047  14.43044       1.026444  1.237015       2.208993  
1 1 1 24 16 10 o 50.74603 0.8782178 25.16939       0.8714055 28.88926       1.422533  22.93512       1.102467  5.829411       1.756436  
1 1 1 24 16 11 o 40.33408 1.243679  16.61491       0.8587992 16.82495       0.9898238 15.97536       1.727225  1.213730       2.487358  
1 1 1 24 16 12 o 23.68720 1.804648  5.872425       0.6739697 5.975239       0.7543034 5.465401       1.500832  1.340666       3.609295  
1 1 1 24 16 13 o 44.62310 1.218470  20.40277       0.9604485 20.72693       1.126114  19.53769       1.839607  1.550755       2.436939  
1 1 1 24 16 14 o 32.51950 1.358220  10.08533       0.8246064 9.042979       0.9812371 12.59115       1.521396  -5.235580      2.716441  
1 1 1 24 16 15 o 49.47969 1.158737  24.61369       1.107098  23.95155       1.386647  25.77785       1.838641  -1.636833      2.317475  
1 1 1 24 16 16 o 9.340136 2.700443  0.5399848      0.7998927 0.3252132      1.084028  0.7967012      1.185164  -1.260053      5.400886  
1 1 1 24 16 17 o 24.28957 1.885069  6.347013       0.9128923 7.039673       1.317736  5.707802       1.265874  2.666292       3.770139  
1 1 1 24 16 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 16 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 17 0  o 45.57330 1.561501  21.16351       1.350630  20.18992       2.250655  21.71146       1.688455  0.000000       0.000000  
1 1 1 24 17 1  o 8.157187 2.406848  0.9925433E-01  0.6593565 0.3325870      0.9385671 -0.1281131     0.9264920 1.063108       4.813696  
1 1 1 24 17 2  o 45.18414 1.032265  20.27596       0.9191277 21.38362       1.444162  19.52182       1.191624  2.049252       2.064531  
1 1 1 24 17 3  o 38.29292 1.011222  14.67926       0.7742372 14.19756       1.085882  15.17737       1.104221  -1.278488      2.022444  
1 1 1 24 17 4  o 36.11431 1.098848  12.97038       0.7820646 12.52719       1.014670  13.61899       1.227483  -1.498543      2.197697  
1 1 1 24 17 5  o 67.71899 0.8910695 46.08506       1.202355  48.48544       1.659801  43.43467       1.744102  3.734077       1.782139  
1 1 1 24 17 6  o 49.10259 0.9112795 24.24601       0.8896476 25.18775       1.208966  23.13374       1.313875  2.098156       1.822559  
1 1 1 24 17 7  f 27.57466 1.684850  7.429163       0.8804569 6.977124       1.070121  8.376370       1.549057  -2.462807      3.369700  
1 1 1 24 17 8  o 65.62901 1.167964  43.30765       1.454061  43.44320       1.793781  43.04790       2.483096  0.3842239      2.335927  
1 1 1 24 17 9  o 33.83823 1.150801  11.48654       0.7737318 13.35514       1.120823  9.785375       1.069430  5.267738       2.301602  
1 1 1 24 17 10 o 76.21544 1.050613  55.85790       1.459432  52.57719       1.715225  64.46291       2.777874  -7.628990      2.101226  
1 1 1 24 17 11 f 24.20890 1.685899  5.061636       0.6780435 4.458376       0.7522130 7.676086       1.565953  -6.374809      3.371799  
1 1 1 24 17 12 o 26.01371 1.778028  7.083989       0.8379859 7.366743       1.005414  6.440659       1.516554  1.969875       3.556056  
1 1 1 24 17 13 o 34.99734 1.372928  12.14133       0.9162762 11.50797       1.123538  13.39908       1.583284  -2.523037      2.745856  
1 1 1 24 17 14 o 9.083821 2.590368  -0.4545206     0.7452969 -1.290987      0.8814807 1.642746       1.395775  -7.115112      5.180736  
1 1 1 24 17 15 o 14.92677 2.601397  2.480542       0.7382384 2.511904       0.8970464 2.414727       1.299507  0.6043510      5.202795  
1 1 1 24 17 16 o 12.48266 2.695940  1.850007       0.7865791 2.455136       1.019567  0.9603018      1.236274  4.217403       5.391880  
1 1 1 24 17 17 o 16.96079 2.822846  3.464501       0.9428200 3.957696       1.383650  3.037029       1.288162  2.401626       5.645693  
1 1 1 24 17 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 18 0  o 21.96481 3.007022  4.931360       1.130401  6.780011       1.997899  4.060911       1.370938  0.000000       0.000000  
1 1 1 24 18 1  o 39.40420 1.042028  15.50913       0.8201364 14.71376       1.126179  16.40729       1.196730  -2.145519      2.084057  
1 1 1 24 18 2  f 103.8537 1.117931  107.9876       2.299685  108.4624       3.507264  107.6294       3.045826  0.3754578      2.235863  
1 1 1 24 18 3  o 78.46301 0.9910699 61.34870       1.528513  60.02578       1.976223  63.31847       2.411454  -2.073975      1.982140  
1 1 1 24 18 4  o 18.76674 1.973343  3.778632       0.6840136 4.838257       0.9328104 2.546168       1.006015  6.368544       3.946686  
1 1 1 24 18 5  o 72.81146 0.9009820 52.73038       1.302438  50.27432       1.724245  55.99380       1.987540  -3.911957      1.801964  
1 1 1 24 18 6  o 71.44966 0.8974979 50.97431       1.277241  49.34888       1.718585  52.97979       1.908959  -2.526558      1.794996  
1 1 1 24 18 7  o 39.58599 1.060153  15.79476       0.8207083 16.09123       1.060722  15.35255       1.295473  0.9574699      2.120305  
1 1 1 24 18 8  o 84.13536 1.208753  71.09019       1.962476  71.06944       2.470074  71.12570       3.231673  0.6327057E-01  2.417505  
1 1 1 24 18 9  o 40.67322 1.159729  16.81404       0.9308576 18.14645       1.252159  15.16804       1.391739  3.682163       2.319459  
1 1 1 24 18 10 o 60.32012 0.8565507 36.47902       1.027567  41.96326       1.486285  31.45732       1.422228  8.698559       1.713101  
1 1 1 24 18 11 o 47.15210 0.9228842 22.04788       0.8476130 21.08929       1.072067  23.64621       1.384336  -2.649269      1.845768  
1 1 1 24 18 12 o 24.27458 1.776701  6.801527       0.7174042 7.742551       0.8506221 4.482998       1.335188  6.890665       3.553403  
1 1 1 24 18 13 o 12.44695 2.739439  1.546799       0.6655467 1.473788       0.7545179 1.802771       1.412763  -1.487777      5.478877  
1 1 1 24 18 14 o 10.86924 2.682634  1.116590       0.6159614 1.095388       0.6871554 1.203299       1.389617  -1.425118      5.365267  
1 1 1 24 18 15 o 19.80339 1.821650  3.613119       0.5902722 3.310079       0.6548390 4.926491       1.363258  -3.560862      3.643301  
1 1 1 24 18 16 o 10.84356 2.914627  1.157472       0.8539456 1.063493       1.081785  1.312860       1.391023  -1.022818      5.829253  
1 1 1 24 18 17 o 14.75375 2.743517  2.771590       0.9342957 4.168243       1.256438  1.044087       1.397354  8.358952       5.487035  
1 1 1 24 18 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 19 0  o 10.07228 3.714680  1.512196       0.9951954 0.5233302      1.996683  1.839058       1.147949  0.000000       0.000000  
1 1 1 24 19 1  o 35.39503 1.386373  12.48873       0.9248812 12.79783       1.612440  12.33717       1.129086  0.6135597      2.772747  
1 1 1 24 19 2  o 40.17334 1.037179  16.16080       0.8326533 15.98635       1.151712  16.35182       1.205208  -0.4515228     2.074357  
1 1 1 24 19 3  o 17.90656 2.206952  3.233135       0.7683842 3.640014       1.191687  2.943601       1.005262  2.173822       4.413905  
1 1 1 24 19 4  o 57.14665 0.9120659 32.72628       1.041553  33.23391       1.450398  32.18576       1.496646  0.9198265      1.824132  
1 1 1 24 19 5  o 39.01899 1.108693  15.26836       0.8446810 15.27838       1.083360  15.25283       1.348964  0.5529022E-01  2.217385  
1 1 1 24 19 6  o 51.18263 0.9401302 26.39329       0.9527162 27.31756       1.273906  25.22023       1.435148  2.063152       1.880260  
1 1 1 24 19 7  o 26.25602 1.365532  6.959007       0.7061275 7.095696       0.9266811 6.769752       1.090407  0.6439838      2.731065  
1 1 1 24 19 8  o 36.10522 1.515804  14.02444       0.9743254 15.37183       1.175320  11.06404       1.742146  6.059231       3.031607  
1 1 1 24 19 9  o 11.55968 2.481010  1.392445       0.6238622 1.543506       0.8062215 1.167000       0.9849141 1.066571       4.962020  
1 1 1 24 19 10 o 29.34384 1.471483  9.202724       0.7767869 9.994045       0.9403341 7.502473       1.378358  4.357590       2.942965  
1 1 1 24 19 11 o 21.15823 1.799481  4.110263       0.7193471 3.231905       0.8619170 6.126381       1.305833  -6.670652      3.598961  
1 1 1 24 19 12 o 39.16077 1.207508  15.41452       0.9457386 15.41452       0.9457386 ?              ?         ?              ?         
1 1 1 24 19 13 o 43.76096 1.741070  19.12444       1.035284  18.94688       1.110685  20.30058       2.858573  -0.7508736     3.482139  
1 1 1 24 19 14 o 17.29005 3.127183  3.152189       0.6942837 3.130931       0.7238113 3.396903       2.455816  0.4241638      6.254366  
1 1 1 24 19 15 f 15.59531 2.061425  2.145092       0.5837389 1.406939       0.6800915 4.210626       1.137654  -8.628841      4.122851  
1 1 1 24 19 16 o 8.080949 2.457928  -0.3676170     0.8301555 0.8787677      1.089973  -2.089374      1.281078  3.614441       4.915857  
1 1 1 24 19 17 o 11.21381 5.469548  0.000000       0.000000  ?              ?         -2.242905      4.000094  ?              ?         
1 1 1 24 19 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 20 0  o 21.88787 2.772845  5.033998       1.182291  5.033998       1.182291  5.033998       1.182291  0.000000       0.000000  
1 1 1 24 20 1  o 14.14193 2.596905  2.125792       0.7562997 1.519846       1.108127  2.654172       1.034775  -3.539515      5.193810  
1 1 1 24 20 2  o 31.36800 1.391040  10.18997       0.8441283 8.202340       1.284729  11.69991       1.119758  -5.589655      2.782080  
1 1 1 24 20 3  o 15.68879 2.272619  2.546293       0.6876065 2.165063       0.9264481 3.013854       1.025999  -2.657693      4.545238  
1 1 1 24 20 4  o 34.27311 1.317636  11.61113       0.8674883 11.17393       1.075956  12.42321       1.466402  -1.783875      2.635273  
1 1 1 24 20 5  o 28.42612 1.319389  8.058875       0.7434756 7.706122       0.9793125 8.538786       1.142263  -1.444845      2.638778  
1 1 1 24 20 6  o 36.50100 1.221574  12.54313       0.8497037 10.83477       1.029365  16.19668       1.505352  -7.285454      2.443148  
1 1 1 24 20 7  o 25.05153 1.505049  6.285423       0.7520316 5.746481       1.023499  6.917790       1.108666  -2.324160      3.010099  
1 1 1 24 20 8  o 48.06757 1.200360  22.56942       0.9745526 22.02279       1.106169  24.46517       2.059987  -2.397263      2.400720  
1 1 1 24 20 9  o 22.54256 1.515278  5.216451       0.6617085 5.487281       0.8503751 4.800770       1.053518  1.575258       3.030556  
1 1 1 24 20 10 o 31.28068 1.198631  10.10077       0.7253962 10.99044       0.9414201 8.800636       1.138057  3.547749       2.397262  
1 1 1 24 20 11 o 10.69117 2.855554  0.9090209      0.8169471 0.8559929      1.037577  0.9955168      1.325152  -1.026346      5.711108  
1 1 1 24 20 12 o 60.43746 0.9654086 36.72812       1.163729  35.91350       1.580721  37.69211       1.719552  -1.433819      1.930817  
1 1 1 24 20 13 o 8.461099 2.553941  0.6027135E-01  0.6934527 -0.8666830E-01 0.8184138 0.4342826      1.305707  -2.755989      5.107883  
1 1 1 24 20 14 o 9.282784 2.569092  0.6636923      0.6410542 0.7738194      0.7381094 0.3255894      1.293296  -0.4531517     5.138183  
1 1 1 24 20 15 o 11.15839 2.685818  1.275631       0.6413248 1.200304       0.7331690 1.521053       1.323381  -1.456052      5.371636  
1 1 1 24 20 16 o 9.019877 2.769897  0.1275449      0.9562556 0.6991763      1.303745  -0.5380557     1.406830  1.660250       5.539794  
1 1 1 24 20 17 o 15.92187 4.626668  0.000000       0.000000  ?              ?         3.384347       1.560607  ?              ?         
1 1 1 24 20 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 21 0  o 48.96371 1.500394  24.31064       1.311875  23.81472       2.466539  24.50627       1.549165  0.000000       0.000000  
1 1 1 24 21 1  o 106.3907 1.073903  113.2473       2.282354  117.1400       3.327638  109.7894       3.136323  3.440910       2.147806  
1 1 1 24 21 2  o 23.34461 1.764125  5.425610       0.8144916 5.856265       1.267193  5.122446       1.063203  1.546654       3.528250  
1 1 1 24 21 3  o 12.07026 2.715559  1.444680       0.7533799 1.031938       1.094278  1.816609       1.038768  -2.267411      5.431117  
1 1 1 24 21 4  o 32.43133 1.222097  10.52790       0.7798612 10.39068       1.012621  10.72794       1.222595  -0.4965439     2.444195  
1 1 1 24 21 5  o 71.75356 1.026650  51.15569       1.415075  49.95074       1.760373  53.35620       2.378946  -2.310112      2.053299  
1 1 1 24 21 6  o 68.90839 0.9286898 47.30914       1.269188  45.44750       1.675626  49.81464       1.943915  -3.142548      1.857380  
1 1 1 24 21 7  o 22.55810 1.745913  5.219392       0.7743410 6.118523       1.074234  4.246902       1.117197  4.157274       3.491826  
1 1 1 24 21 8  o 34.34906 1.590884  12.47717       0.9981920 13.47243       1.218491  10.44647       1.740516  4.514217       3.181767  
1 1 1 24 21 9  o 15.67676 2.208718  2.671100       0.6499634 2.946357       0.8183352 2.200738       1.069740  2.723158       4.417436  
1 1 1 24 21 10 o 11.29315 2.555678  1.254322       0.6431456 1.025908       0.8236918 1.611078       1.029411  -2.167113      5.111357  
1 1 1 24 21 11 o 15.27922 2.503741  2.524189       0.7480514 2.493239       1.117487  2.549318       1.006937  -0.2413816     5.007482  
1 1 1 24 21 12 o 23.75647 1.663113  5.772838       0.7311110 5.777159       0.8816801 5.763326       1.308089  0.2287788      3.326225  
1 1 1 24 21 13 o 21.35698 1.474050  4.648325       0.6125739 4.586414       0.7789758 4.748653       0.9916399 -0.2621231     2.948100  
1 1 1 24 21 14 f 22.19981 1.738568  4.599984       0.6683298 4.165382       0.7580363 6.117100       1.416294  -3.961863      3.477137  
1 1 1 24 21 15 o 11.53107 2.536658  1.594649       0.6396697 1.825891       0.7323759 0.8507709      1.313565  2.508213       5.073316  
1 1 1 24 21 16 f 15.48525 2.785262  2.750070       0.7500087 2.639273       0.8440817 3.165675       1.634789  -0.2084141     5.570524  
1 1 1 24 21 17 o 7.426633 3.468297  0.000000       0.000000  ?              ?         -0.6652617     1.267906  ?              ?         
1 1 1 24 21 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24 22 0  o 31.68164 2.148562  10.37395       1.230492  10.32997       2.213322  10.39363       1.480351  0.000000       0.000000  
1 1 1 24 22 1  o 27.25925 1.367737  7.467353       0.7426339 7.409773       1.098702  7.515790       1.007678  -0.2045879     2.735474  
1 1 1 24 22 2  f 40.57765 1.056319  16.51923       0.8558607 17.72609       1.217069  15.33858       1.203780  2.940681       2.112639  
1 1 1 24 22 3  o 23.56527 1.547380  5.540779       0.7257519 5.113664       0.9697773 6.084506       1.094183  -2.041834      3.094761  
1 1 1 24 22 4  o 42.31644 1.292152  17.84129       1.041311  17.50988       1.283435  18.47972       1.781343  -1.082310      2.584303  
1 1 1 24 22 5  o 59.00920 1.034852  34.62828       1.167683  33.91996       1.445348  35.95941       1.981366  -1.670204      2.069704  
1 1 1 24 22 6  o 27.07361 1.468932  7.473083       0.7842031 8.667391       1.090545  6.194218       1.128490  4.573648       2.937864  
1 1 1 24 22 7  o 40.79380 1.103974  16.63367       0.8819559 16.32046       1.132318  17.11679       1.406280  -0.9367752     2.207947  
1 1 1 24 22 8  o 30.49935 1.386221  9.268710       0.7801428 9.078656       0.9331187 9.710059       1.421962  -0.9174728     2.772443  
1 1 1 24 22 9  o 29.43346 1.286366  8.678751       0.7427531 8.418044       0.9547493 9.078421       1.182128  -1.063099      2.572732  
1 1 1 24 22 10 o 21.06787 1.695995  4.556565       0.6837435 4.664549       0.8573183 4.367836       1.133397  0.8023930      3.391991  
1 1 1 24 22 11 o 31.76760 1.392120  10.10169       0.8160631 9.891903       0.9762857 10.58818       1.486714  -0.9130592     2.784240  
1 1 1 24 22 12 o 35.52097 1.150511  12.77626       0.8144822 13.07826       1.114375  12.42991       1.193384  0.9385338      2.301021  
1 1 1 24 22 13 o 17.86686 2.278433  2.882390       0.6801465 2.447586       0.7633940 4.556170       1.497790  -4.924475      4.556867  
1 1 1 24 22 14 o 13.80084 2.215534  2.146910       0.5975702 2.460371       0.7991381 1.749321       0.9000100 2.586347       4.431068  
1 1 1 24 22 15 o 12.04918 3.004751  1.503501       0.7327195 1.461067       0.7960595 1.738769       1.874441  -1.399415      6.009502  
1 1 1 24 22 16 o 9.479458 2.770768  0.6552075      0.7451432 0.6045612      0.8461931 0.8300832      1.572390  -1.937530      5.541535  
1 1 1 24 22 17 o 12.29852 4.326213  0.000000       0.000000  ?              ?         1.924874       1.324165  ?              ?         
1 1 1 24 23 0  o 43.01803 1.636563  17.72191       1.233621  20.88582       2.487438  16.68989       1.420639  0.000000       0.000000  
1 1 1 24 23 1  f 24.61516 1.715117  5.824660       0.8200383 7.336495       1.375546  4.991109       1.021384  4.706100       3.430234  
1 1 1 24 23 2  o 20.52849 1.709312  4.232247       0.6943255 3.440145       0.9500365 5.140405       1.017255  -4.130100      3.418623  
1 1 1 24 23 3  o 36.47919 1.247946  13.41699       0.8695032 13.53816       1.082646  13.19682       1.459371  0.5151672      2.495892  
1 1 1 24 23 4  o 44.91143 1.532478  19.00675       1.042115  18.36205       1.137686  22.36756       2.597569  -4.233418      3.064956  
1 1 1 24 23 5  o 77.21063 0.9608303 59.65367       1.477310  58.43419       1.989571  61.15227       2.205544  -1.737450      1.921661  
1 1 1 24 23 6  o 13.56505 3.055389  1.831611       0.9858335 0.9202573      1.445671  2.623774       1.347825  -4.220080      6.110778  
1 1 1 24 23 7  o 10.47588 2.723288  0.8794572      0.7647160 1.274336       1.080848  0.4836664      1.082096  2.052844       5.446576  
1 1 1 24 23 8  o 16.87192 2.440037  3.200869       0.7384304 3.518341       0.8833241 2.464171       1.345589  3.500525       4.880074  
1 1 1 24 23 9  o 14.20272 2.209333  1.904496       0.5521222 1.612315       0.6377943 2.778204       1.102904  -3.736702      4.418666  
1 1 1 24 23 10 o 36.73505 1.056968  14.48259       0.6762014 15.59407       0.8007576 11.71999       1.262438  5.377541       2.113936  
1 1 1 24 23 11 o 48.67929 0.9822443 24.14270       0.8771613 24.55284       1.054194  23.21975       1.581402  1.514526       1.964489  
1 1 1 24 23 12 o 25.58842 1.274611  6.516256       0.5701603 6.375703       0.6586854 6.936277       1.138657  -0.8881760     2.549222  
1 1 1 24 23 13 o 18.46990 1.563199  3.284710       0.4790754 3.120694       0.5374361 3.919253       1.057096  -1.842400      3.126398  
1 1 1 24 23 14 o 19.63125 1.394388  4.496953       0.4419192 5.013280       0.5145348 3.045118       0.8628013 5.269297       2.788775  
1 1 1 24 23 15 o 13.00401 3.145004  1.592151       0.7895871 1.295084       0.8664843 3.046485       1.917193  -4.523883      6.290008  
1 1 1 24 23 16 o 10.91618 3.104682  1.169250       0.9876260 0.9698349      1.206927  1.573412       1.718226  -1.765719      6.209364  
1 1 1 24 23 17 o 7.810091 3.685581  0.000000       0.000000  ?              ?         -0.8675532     1.523945  ?              ?         
1 1 1 24 24 0  o 28.88209 2.121162  8.559961       1.093874  8.905859       2.023399  8.417123       1.300261  0.000000       0.000000  
1 1 1 24 24 1  o 13.87112 2.536838  1.998670       0.7278547 2.745280       1.061029  1.335035       1.000335  4.530622       5.073676  
1 1 1 24 24 2  o 23.80487 1.554927  5.608177       0.7298699 4.440519       0.9700270 7.131840       1.108078  -5.630539      3.109855  
1 1 1 24 24 3  f 33.21774 1.184907  11.13709       0.7781563 11.49051       1.034990  10.67754       1.180214  1.241772       2.369814  
1 1 1 24 24 4  o 9.252248 2.630350  0.4383539      0.7363296 0.6795462      0.9073450 -0.2686462E-01 1.260141  0.3673763      5.260701  
1 1 1 24 24 5  o 20.40160 1.840734  4.376554       0.7216420 5.196133       0.9635729 3.329695       1.089013  4.602715       3.681468  
1 1 1 24 24 6  o 40.22894 1.096852  16.22015       0.8729486 15.99238       1.149157  16.53091       1.342295  -0.6398544     2.193705  
1 1 1 24 24 7  o 8.159814 2.472270  0.9060095E-01  0.5395899 0.5520874E-01  0.5866026 0.2852304      1.375607  -3.547997      4.944540  
1 1 1 24 24 8  o 26.59298 1.403727  7.077041       0.6591792 6.990535       0.7672430 7.320889       1.288167  -0.4719543     2.807455  
1 1 1 24 24 9  o 24.24722 1.632398  5.876916       0.7845441 4.968705       1.041014  7.070877       1.193598  -4.281794      3.264795  
1 1 1 24 24 10 o 9.285330 2.551915  0.4568411      0.5279755 0.3276078      0.5765178 1.128764       1.314574  -4.310313      5.103829  
1 1 1 24 24 11 o 29.12489 1.217276  8.543175       0.6191216 8.501026       0.7175548 8.665966       1.224749  -0.1138229     2.434552  
1 1 1 24 24 12 o 23.39037 1.389854  4.755943       0.5549696 4.110763       0.6216601 7.288248       1.231602  -6.478775      2.779708  
1 1 1 24 24 13 o 14.95727 2.041601  2.374588       0.5090784 2.369866       0.5814647 2.390093       1.053558  0.5735550      4.083202  
1 1 1 24 24 14 o 9.990094 2.277663  0.6627052      0.4977942 0.2049116      0.5721399 2.088827       1.009824  -6.811344      4.555327  
1 1 1 24 24 15 o 7.582759 2.506826  -0.1047080     0.5465252 -0.5942787E-01 0.5708148 -0.6030444     1.893664  -3.501636      5.013653  
1 1 1 24 24 16 o 13.27284 3.048772  2.278652       0.8748558 2.341855       1.001037  2.074286       1.800053  1.209711       6.097544  
1 1 1 24 24 17 o 8.158904 3.819279  0.000000       0.000000  ?              ?         -0.4502271     1.551453  ?              ?         
1 1 1 24 25 0  o 116.9858 1.993080  138.3529       4.473576  136.2773       7.409985  139.5433       5.611650  0.000000       0.000000  
1 1 1 24 25 1  o 63.30243 0.9444500 40.09832       1.193136  39.02171       1.626031  41.35416       1.756171  -1.829243      1.888900  
1 1 1 24 25 2  o 31.44040 1.290079  9.888219       0.8058764 9.546208       1.071907  10.33285       1.222185  -1.229942      2.580158  
1 1 1 24 25 3  o 19.12666 2.246911  4.230167       0.7496814 5.115090       0.9345000 2.632362       1.255708  6.819194       4.493823  
1 1 1 24 25 4  f 11.38253 2.548051  1.278426       0.7083605 1.933022       0.9318963 0.3826005      1.090165  4.235956       5.096102  
1 1 1 24 25 5  o 20.97465 2.305350  4.590948       0.9269344 4.789690       1.220469  4.320045       1.424916  1.489077       4.610700  
1 1 1 24 25 6  o 33.83393 1.374883  11.32000       0.7087741 11.19258       0.7791342 11.93148       1.706747  -0.8736115     2.749766  
1 1 1 24 25 7  o 13.98462 2.390946  1.770468       0.5818204 1.460861       0.6600648 2.849052       1.231993  -4.514852      4.781891  
1 1 1 24 25 8  o 17.90735 2.259712  3.182307       0.6144581 3.077483       0.6773667 3.669306       1.460023  -0.9252243     4.519423  
1 1 1 24 25 9  o 14.66531 2.307324  2.329772       0.5757836 2.395378       0.6534954 2.102092       1.217400  1.397783       4.614648  
1 1 1 24 25 10 o 39.19596 1.194822  15.46691       0.9281720 15.01055       1.224871  16.08236       1.422442  -1.299461      2.389644  
1 1 1 24 25 11 o 45.39375 1.008625  20.89463       0.8707667 21.11954       1.079700  20.47617       1.472758  0.8347015      2.017250  
1 1 1 24 25 12 o 18.62798 1.966641  3.590150       0.5823292 3.534060       0.6564353 3.797346       1.261650  0.2753448E-01  3.933282  
1 1 1 24 25 13 o 26.80869 1.374471  7.575418       0.6311018 7.763797       0.7309901 7.023962       1.250692  1.744518       2.748943  
1 1 1 24 25 14 o 27.02978 1.365893  7.525251       0.5998057 7.498807       0.6749749 7.624535       1.307857  0.3146973      2.731787  
1 1 1 24 25 15 f 6.731530 2.304845  -0.2375612     0.4342245 -0.1877148     0.4471309 -1.063803      1.820419  -3.812123      4.609690  
1 1 1 24 25 16 o 9.998338 2.995906  0.7669227      1.037745  0.9329173      1.507245  0.6173148      1.430916  0.6607628      5.991812  
1 1 1 24 26 0  o 30.69294 2.239283  9.704007       1.145351  9.969203       2.342582  9.620698       1.312987  0.000000       0.000000  
1 1 1 24 26 1  o 39.15979 1.225713  15.51813       0.9353819 15.89616       1.203339  14.94099       1.486850  1.262009       2.451426  
1 1 1 24 26 2  o 31.08517 1.389521  9.893745       0.8365985 10.46893       1.076669  9.017293       1.329053  2.379053       2.779042  
1 1 1 24 26 3  o 56.80384 0.9778907 32.38281       1.106011  32.40292       1.495587  32.35854       1.643065  0.5787277E-01  1.955781  
1 1 1 24 26 4  o 28.41887 1.483080  8.125875       0.8417828 7.647303       1.156411  8.665277       1.227707  -1.775860      2.966160  
1 1 1 24 26 5  o 28.27053 1.296011  8.058576       0.6666958 8.055394       0.7929519 8.066247       1.231471  0.8118248E-01  2.592022  
1 1 1 24 26 6  o 10.24288 2.592973  0.7412100      0.6244784 0.4429167      0.7327753 1.532619       1.193574  -4.238880      5.185946  
1 1 1 24 26 7  o 13.32185 2.433596  2.215900       0.6225056 2.570960       0.6868751 0.5834442      1.472815  5.199921       4.867192  
1 1 1 24 26 8  o 12.86089 2.592105  1.863685       0.6151515 2.036593       0.6656864 0.8528211      1.609566  2.577623       5.184209  
1 1 1 24 26 9  o 49.32164 1.074807  24.43115       1.060225  24.43115       1.060225  ?              ?         ?              ?         
1 1 1 24 26 10 o 30.41338 1.216391  9.280447       0.6591739 9.186337       0.7716641 9.534500       1.267873  -0.4058151     2.432783  
1 1 1 24 26 11 o 14.42142 2.584485  2.267999       0.8132839 0.9867580      1.134088  3.624520       1.166929  -7.703863      5.168969  
1 1 1 24 26 12 o 34.25674 1.158858  11.87994       0.6984841 11.85133       0.8134581 11.96025       1.362775  0.7728195E-01  2.317715  
1 1 1 24 26 13 o 10.35441 2.417335  0.7094092      0.5283219 0.2985310      0.5964450 2.206171       1.138388  -6.742659      4.834669  
1 1 1 24 26 14 o 38.21584 1.188447  16.26774       0.7925385 18.03397       0.9512430 12.25901       1.433083  7.946041       2.376895  
1 1 1 24 26 15 o 15.48566 3.293717  3.196877       1.097689  3.080520       1.472633  3.342355       1.646632  -0.3776350     6.587434  
1 1 1 24 26 16 o 14.50985 4.852970  3.031249       1.657037  3.031249       1.657037  ?              ?         ?              ?         
1 1 1 24 27 0  o 56.04039 1.524690  32.11245       1.542780  30.64590       2.832548  32.73102       1.839586  0.000000       0.000000  
1 1 1 24 27 1  o 16.31828 2.498999  2.845099       0.7812470 2.945730       1.013053  2.697432       1.227186  0.8597651      4.997997  
1 1 1 24 27 2  o 33.90195 1.222486  11.69258       0.8183720 12.67310       1.104744  10.50018       1.218272  3.224041       2.444971  
1 1 1 24 27 3  o 53.76817 1.085308  28.95307       1.160957  30.12842       1.747255  28.02397       1.553461  1.922836       2.170616  
1 1 1 24 27 4  o 24.43555 1.562012  6.350645       0.6791358 6.779575       0.8118570 5.350911       1.239448  3.039721       3.124023  
1 1 1 24 27 5  o 13.71231 2.250455  2.359496       0.6077592 2.942004       0.7115971 0.7889644      1.168440  6.683297       4.500911  
1 1 1 24 27 6  o 33.67318 1.186093  10.83689       0.7070773 10.20553       0.8158899 12.74166       1.417143  -3.613520      2.372186  
1 1 1 24 27 7  o 28.34933 1.366399  8.167311       0.6650680 8.206069       0.7661440 8.048801       1.339678  0.4385509      2.732798  
1 1 1 24 27 8  o 9.324787 2.570932  0.5224864      0.6030957 0.3996948      0.6881506 0.9291478      1.252321  -3.046236      5.141864  
1 1 1 24 27 9  o 18.16288 2.166560  3.831835       0.6144757 4.120088       0.7013345 2.879528       1.274754  4.022465       4.333121  
1 1 1 24 27 10 o 11.02102 2.362665  1.409380       0.6062257 1.830778       0.6971245 0.1021791      1.227821  4.095015       4.725330  
1 1 1 24 27 11 o 18.88667 2.427136  4.045606       0.6715941 4.154855       0.7413614 3.545746       1.585793  2.628960       4.854272  
1 1 1 24 27 12 o 13.23656 2.462304  2.031379       0.6103277 2.176746       0.6879044 1.493717       1.322969  2.481873       4.924609  
1 1 1 24 27 13 f 7.156862 2.114470  0.2089473      0.5064518 0.5307978      0.5678610 -1.042366      1.119690  0.9607840      4.228940  
1 1 1 24 27 14 o 10.44540 2.607549  0.8843909      0.5787122 0.5926986      0.6488829 2.018461       1.279451  -4.841251      5.215099  
1 1 1 24 27 15 o 11.20438 3.142024  1.293749       1.040728  2.061409       1.642859  0.7791881      1.345037  2.789496       6.284047  
1 1 1 24 27 16 o 10.97067 3.259683  1.464217       1.234089  1.923835       1.661372  0.8984230      1.843305  1.483244       6.519367  
1 1 1 24 28 0  o 23.06435 4.602377  5.758424       1.852522  3.535450       2.217164  10.89926       3.371688  0.000000       0.000000  
1 1 1 24 28 1  o 31.18670 1.269363  9.818564       0.7906032 10.18917       1.103667  9.427952       1.133076  1.227047       2.538726  
1 1 1 24 28 2  o 13.45872 2.746619  1.966927       0.7700219 2.162931       0.9480758 1.587025       1.319916  1.525901       5.493238  
1 1 1 24 28 3  o 8.145990 2.448261  0.1476591      0.6532218 0.5073690      0.7264317 -1.371958      1.493089  0.3092947      4.896522  
1 1 1 24 28 4  f 26.37993 1.564236  7.068977       0.8202916 7.208141       1.107574  6.899903       1.220809  0.6188278      3.128471  
1 1 1 24 28 5  o 38.82750 1.105035  14.76022       0.7839450 14.17169       0.9265785 16.24270       1.470593  -2.538723      2.210070  
1 1 1 24 28 6  o 32.81655 1.233156  10.97424       0.7235431 11.11055       0.8535296 10.62615       1.363980  0.8675613      2.466313  
1 1 1 24 28 7  o 39.43997 1.096406  15.14800       0.7730734 14.53373       0.9004070 16.87083       1.507918  -2.809601      2.192812  
1 1 1 24 28 8  o 24.01017 1.761513  5.676646       0.6802194 5.523373       0.7580098 6.310528       1.541510  -1.262650      3.523026  
1 1 1 24 28 9  o 18.63340 2.005788  3.488211       0.6439586 3.326001       0.7467535 3.958736       1.271835  -1.103031      4.011575  
1 1 1 24 28 10 o 8.798313 2.537017  0.4603572      0.6277290 0.5604531      0.7114162 0.1084127      1.333991  -0.9672804     5.074034  
1 1 1 24 28 11 o 14.87045 2.373295  2.185163       0.6188521 1.914705       0.7130764 3.010496       1.245664  -3.068237      4.746591  
1 1 1 24 28 12 o 9.855474 2.814757  0.4502635      0.7500141 0.1155750      0.8566694 1.548933       1.552124  -4.668783      5.629514  
1 1 1 24 28 13 o 15.40862 2.517545  2.506897       0.6349182 2.372992       0.7040852 3.089739       1.468935  -0.8001785     5.035089  
1 1 1 24 28 14 o 18.75844 3.128240  3.863915       1.090723  2.726160       1.287513  6.756059       2.052755  -8.202110      6.256480  
1 1 1 24 28 15 o 10.71313 3.180900  0.8071927      1.159661  2.011405       1.819162  -0.1714516E-01 1.505125  3.641121       6.361801  
1 1 1 24 29 0  o 44.92448 1.720419  20.10911       1.365980  21.40212       2.652655  19.64251       1.593498  0.000000       0.000000  
1 1 1 24 29 1  o 16.21996 2.496027  2.793108       0.8150032 3.912560       1.169875  1.737462       1.136046  6.660026       4.992053  
1 1 1 24 29 2  o 39.62031 1.104248  15.97265       0.8257673 16.33342       1.018774  15.28164       1.409955  1.410423       2.208497  
1 1 1 24 29 3  o 16.48893 2.532861  2.649193       0.6680276 2.508808       0.7388763 3.277701       1.563393  -1.559427      5.065722  
1 1 1 24 29 4  o 10.64479 2.653978  1.062624       0.7201946 1.395946       0.9047942 0.4862805      1.189759  1.840706       5.307957  
1 1 1 24 29 5  f 8.568319 2.568126  0.1537493E-01  0.7626686 -0.2983666     0.9995563 0.4525342      1.179889  -2.106366      5.136253  
1 1 1 24 29 6  o 43.66850 1.077638  18.67210       0.8570247 17.94529       1.010788  20.53084       1.616443  -2.811119      2.155275  
1 1 1 24 29 7  o 12.42266 2.534086  1.676788       0.6196594 1.757838       0.7171461 1.437983       1.230988  0.7806206      5.068171  
1 1 1 24 29 8  o 15.39324 2.389261  2.384434       0.6532220 2.159634       0.7623993 3.005069       1.266787  -2.279126      4.778521  
1 1 1 24 29 9  o 10.42069 2.625307  1.070636       0.6739210 1.260088       0.7962697 0.5922875      1.265268  0.8766413      5.250614  
1 1 1 24 29 10 o 38.83347 1.145477  14.99590       0.7878924 14.65225       0.9164857 15.96923       1.542412  -1.418240      2.290953  
1 1 1 24 29 11 o 33.21657 1.308478  11.43779       0.7749721 11.61824       0.9144012 10.97770       1.460103  1.306309       2.616957  
1 1 1 24 29 12 o 16.69117 2.444479  3.335477       0.7376650 3.623162       0.8852959 2.682120       1.334151  3.683179       4.888959  
1 1 1 24 29 13 o 8.693695 2.492785  0.4695552      0.6234547 0.2825628      0.7417570 0.9195843      1.150721  -2.577690      4.985570  
1 1 1 24 29 14 o 11.41293 3.053937  1.399367       0.7762806 1.370773       0.8392954 1.568621       2.041967  -1.233396      6.107874  
1 1 1 24 29 15 o 10.64247 3.155054  1.094987       1.111569  1.984361       1.787800  0.5345097      1.419240  2.747613       6.310108  
1 1 1 24 30 0  o 15.36865 4.703800  2.998549       1.260601  2.998549       1.260601  2.998549       1.260601  0.000000       0.000000  
1 1 1 24 30 1  o 28.18175 1.506596  8.108027       0.8401002 9.440012       1.187096  6.771610       1.189069  4.734907       3.013192  
1 1 1 24 30 2  o 23.15482 1.571359  5.332175       0.6747127 5.157374       0.8082440 5.734031       1.225478  -1.107168      3.142718  
1 1 1 24 30 3  o 17.73143 2.173265  3.192449       0.7115551 3.011606       0.8660523 3.568112       1.248225  -1.078306      4.346529  
1 1 1 24 30 4  o 22.84268 1.880991  5.081708       0.7423202 4.849347       0.8481641 5.842302       1.534524  -1.896435      3.761982  
1 1 1 24 30 5  o 15.39951 2.364740  2.147634       0.6378270 1.691675       0.7323688 3.579576       1.297865  -5.635756      4.729480  
1 1 1 24 30 6  o 13.05515 2.806577  1.762886       0.7870049 1.450436       1.010541  2.244508       1.254635  -2.534024      5.613154  
1 1 1 24 30 7  o 9.848385 2.636822  0.6870822      0.6321085 0.5396826      0.7274795 1.141291       1.277029  -3.005654      5.273644  
1 1 1 24 30 8  o 10.53714 2.661190  1.075572       0.6853089 1.223383       0.8157598 0.7210578      1.263354  0.4779034      5.322380  
1 1 1 24 30 9  o 8.564273 2.532117  0.1021709      0.6345788 -0.1281240     0.7287444 0.8245479      1.290669  -3.972463      5.064234  
1 1 1 24 30 10 o 16.85481 2.164891  2.483171       0.6486992 1.829094       0.7451290 4.531007       1.318452  -7.740946      4.329783  
1 1 1 24 30 11 o 18.00740 2.064858  3.069221       0.6760308 2.559079       0.7831229 4.561210       1.339267  -4.855066      4.129715  
1 1 1 24 30 12 o 10.91026 2.831145  1.167720       0.7262942 1.057657       0.8360963 1.506148       1.466117  -1.906566      5.662289  
1 1 1 24 30 13 o 8.625248 2.571286  0.4306636      0.7400752 0.6333692      0.8910143 -0.2029637E-01 1.328987  0.1177263      5.142572  
1 1 1 24 30 14 o 16.68687 2.661184  2.854857       0.8038151 2.024013       0.9346741 5.214555       1.575174  -7.586180      5.322368  
1 1 1 24 30 15 o 13.57109 3.326247  2.837167       1.168026  1.893094       1.852989  3.459597       1.504581  -3.764711      6.652494  
1 1 1 24 31 0  o 9.973634 3.542828  1.473105       1.074239  -0.8926035     2.109287  2.301609       1.248252  0.000000       0.000000  
1 1 1 24 31 1  o 11.95875 2.685015  1.509499       0.6795143 1.651388       0.7810267 1.067609       1.378314  0.9355831      5.370031  
1 1 1 24 31 2  o 12.38879 2.036721  1.812643       0.6646283 3.127774       0.8069767 -0.9605669     1.171839  10.30532       4.073442  
1 1 1 24 31 3  o 12.88318 2.298547  1.818629       0.7317440 3.036944       0.9373637 -0.8213754E-01 1.170827  8.677045       4.597095  
1 1 1 24 31 4  o 47.92242 1.039888  22.89587       0.9619824 22.24041       1.203559  24.05533       1.600751  -1.792629      2.079775  
1 1 1 24 31 5  o 15.73864 2.856422  2.017280       0.8024653 1.348598       0.9033278 4.520020       1.747606  -8.797614      5.712844  
1 1 1 24 31 6  o 30.27304 1.790626  10.93710       0.8288837 12.16386       0.9478931 6.951154       1.708621  8.946638       3.581252  
1 1 1 24 31 7  o 27.18854 1.566277  7.775339       0.7492489 8.047485       0.8818939 7.069231       1.420532  2.052982       3.132554  
1 1 1 24 31 8  o 33.46439 1.489927  11.37462       0.9764383 11.07468       1.252293  11.83977       1.559487  -0.9778328     2.979853  
1 1 1 24 31 9  o 60.50008 1.034919  37.55968       1.179834  38.67832       1.456612  35.42575       2.011821  2.909050       2.069837  
1 1 1 24 31 10 o 15.38243 2.482168  2.840972       0.6918676 3.088691       0.8058403 2.146306       1.349454  3.638983       4.964337  
1 1 1 24 31 11 o 11.17726 2.520576  1.497209       0.6605551 1.837113       0.7677587 0.5286147      1.296037  3.175542       5.041152  
1 1 1 24 31 12 o 8.613309 2.565018  0.4403695      0.6958379 0.6591628      0.7821519 -0.3900498     1.523782  -0.1177006     5.130037  
1 1 1 24 31 13 o 11.23742 2.636544  0.9181439      0.7373716 -0.3635961E-02 0.8873661 2.974705       1.325440  -8.043922      5.273088  
1 1 1 24 31 14 o 11.06683 3.077139  0.7624211      1.195824  3.026128       1.695798  -1.476641      1.686542  6.715578       6.154278  
1 1 1 24 32 0  f 19.82550 3.894033  4.671082       1.225814  5.364481       2.324197  4.403876       1.442798  0.000000       0.000000  
1 1 1 24 32 1  o 34.51420 1.213876  12.14723       0.7942198 12.40866       0.9842167 11.65919       1.344742  1.189201       2.427752  
1 1 1 24 32 2  o 11.68849 2.829122  1.313176       0.7205860 1.299309       0.8285474 1.356230       1.459905  -1.124528      5.658243  
1 1 1 24 32 3  o 12.45356 2.776639  1.603397       0.6949949 1.627417       0.7881273 1.519401       1.473802  -0.3242207     5.553277  
1 1 1 24 32 4  o 13.79517 2.569737  2.023233       0.6711374 1.966504       0.7952434 2.163642       1.251099  -0.5445747     5.139474  
1 1 1 24 32 5  o 15.59327 2.837849  2.387696       0.6982148 2.262777       0.7581332 3.085572       1.791934  -1.955437      5.675697  
1 1 1 24 32 6  o 14.00423 2.515793  2.506423       0.6790373 2.911005       0.7538786 0.7668942      1.563198  5.738592       5.031587  
1 1 1 24 32 7  o 25.59869 1.805470  6.987090       0.8875713 7.793242       1.153509  5.817093       1.389647  4.012339       3.610939  
1 1 1 24 32 8  o 20.70900 2.221442  4.621841       0.8431752 4.711718       1.042449  4.451791       1.433904  1.276026       4.442884  
1 1 1 24 32 9  o 10.24559 2.907824  0.7255646      0.9185452 0.4110429      1.307913  1.031674       1.290304  -1.228688      5.815647  
1 1 1 24 32 10 o 25.86623 1.730578  7.434487       0.8335789 8.494530       1.060609  5.721672       1.348183  5.666887       3.461156  
1 1 1 24 32 11 o 10.30862 2.815605  1.003228       0.7616855 1.016311       0.8857310 0.9660848      1.492400  -0.8850927     5.631209  
1 1 1 24 32 12 f 10.46983 2.850332  1.160686       0.8527770 1.469923       1.031791  0.4940892      1.514878  1.419692       5.700664  
1 1 1 24 32 13 o 12.87076 3.010963  1.967998       0.9083764 3.086118       1.463504  1.267295       1.158556  4.591720       6.021927  
1 1 1 24 32 14 o 9.650145 3.024890  0.5484167      1.159410  0.1616347E-01  1.540535  1.243712       1.760748  -1.951060      6.049781  
1 1 1 24 33 0  o 6.908606 3.095945  0.1460779      0.8141853 -0.1732021     0.9694126 0.9105356      1.500028  0.000000       0.000000  
1 1 1 24 33 1  o 14.22208 2.457275  1.945898       0.6583645 1.463994       0.7866810 3.072393       1.202771  -5.102697      4.914551  
1 1 1 24 33 2  o 26.47993 1.645057  6.372459       0.7735401 5.563832       0.8851749 8.985479       1.591206  -6.124226      3.290114  
1 1 1 24 33 3  o 30.53769 1.548898  9.385461       0.9372174 8.670527       1.228305  10.38169       1.449951  -2.703577      3.097795  
1 1 1 24 33 4  o 40.32037 1.799628  17.17444       1.001628  17.37852       1.083756  15.97900       2.623010  2.449539       3.599255  
1 1 1 24 33 5  o 9.126897 2.713118  0.3366845      0.6835756 0.3384202      0.7562226 0.3289301      1.598368  -2.594044      5.426236  
1 1 1 24 33 6  o 22.25322 1.842654  5.370681       0.7586080 5.910543       0.9437174 4.384750       1.275334  3.641649       3.685309  
1 1 1 24 33 7  o 43.46178 1.226135  19.35407       0.9467998 19.52963       1.112253  18.89210       1.804224  1.062939       2.452269  
1 1 1 24 33 8  o 26.23788 1.967771  6.896646       0.8150641 6.709151       0.9036887 7.714365       1.887239  -1.140797      3.935542  
1 1 1 24 33 9  f 42.09306 1.416446  17.92802       0.9733055 17.63627       1.093665  19.03898       2.134159  -0.8091316     2.832892  
1 1 1 24 33 10 o 9.400492 2.632939  0.3593638      0.6836352 -0.8402496E-01 0.7974552 1.588594       1.327793  -5.114180      5.265878  
1 1 1 24 33 11 o 10.73687 2.992344  0.9576769      0.8925023 0.5711427      1.077388  1.803075       1.593341  -3.373743      5.984688  
1 1 1 24 33 12 f 17.82213 2.644901  3.814075       0.8566942 3.815776       1.023768  3.810100       1.564736  1.605099       5.289802  
1 1 1 24 33 13 o 15.57135 3.165411  3.282089       0.9888422 3.236009       1.168192  3.398558       1.857216  1.106311       6.330823  
1 1 1 24 34 0  o 13.14704 3.535894  2.173645       0.8476254 1.620779       1.026327  3.359795       1.503301  0.000000       0.000000  
1 1 1 24 34 1  o 37.67979 1.207483  14.39007       0.8504795 14.43850       1.034616  14.28916       1.493503  0.3528671      2.414966  
1 1 1 24 34 2  o 13.59546 2.649868  1.906354       0.7118669 1.643801       0.8701986 2.437507       1.237715  -2.530924      5.299737  
1 1 1 24 34 3  o 11.22778 2.887003  0.8840367      0.7256361 0.5758922      0.8198176 1.998768       1.559284  -5.032155      5.774006  
1 1 1 24 34 4  o 14.05676 2.754280  1.982629       0.7279891 1.696778       0.8460978 2.797480       1.428533  -3.231857      5.508560  
1 1 1 24 34 5  o 11.36358 2.780113  1.202000       0.7101451 1.025448       0.8373025 1.654488       1.340450  -2.494977      5.560225  
1 1 1 24 34 6  o 17.90910 2.368390  4.382887       0.7347626 5.585198       0.8797627 1.610218       1.335999  10.97909       4.736779  
1 1 1 24 34 7  o 31.24745 1.576890  10.15832       0.9046199 10.34613       1.089766  9.742099       1.622325  1.300365       3.153780  
1 1 1 24 34 8  o 13.40261 2.901260  1.411933       0.7551401 0.8055694      0.8465453 3.773719       1.670721  -8.279385      5.802519  
1 1 1 24 34 9  o 15.96459 3.060933  3.366394       0.8065501 3.527484       0.8501695 1.916282       2.550778  4.703902       6.121867  
1 1 1 24 34 10 o 9.187218 2.739744  0.1215078      0.7006371 -0.2172878     0.7792451 1.551158       1.600737  -5.465980      5.479489  
1 1 1 24 34 11 o 19.97946 3.049661  5.772070       0.9170181 6.117523       0.9965543 3.863385       2.342470  8.182349       6.099322  
1 1 1 24 34 12 o 14.44172 3.255713  2.608635       0.9599494 3.369211       1.936518  2.360854       1.105310  1.431531       6.511426  
1 1 1 24 34 13 o 13.96453 2.824570  2.889603       0.8289637 3.154776       0.9266239 1.826785       1.855107  4.786018       5.649140  
1 1 1 24 35 0  o 45.31873 1.402685  20.52288       1.229843  19.49310       1.547345  22.28930       2.026568  0.000000       0.000000  
1 1 1 24 35 1  o 18.44162 1.667258  3.507849       0.6122054 3.907150       0.8706135 3.117278       0.8610443 2.135561       3.334516  
1 1 1 24 35 2  o 22.25797 2.430428  5.635710       0.8232020 5.860181       0.9283704 4.809940       1.780619  3.424328       4.860855  
1 1 1 24 35 3  o 19.13934 2.097183  3.874390       0.7198079 3.870843       0.8675310 3.882227       1.289562  0.5799522      4.194365  
1 1 1 24 35 4  o 37.79640 1.289840  14.61475       0.9370977 14.81737       1.178476  14.26631       1.545406  0.9068909      2.579680  
1 1 1 24 35 5  o 21.62784 2.145360  5.513047       0.7572421 6.207158       0.9015746 3.850646       1.395261  6.116970       4.290720  
1 1 1 24 35 6  o 27.01808 1.692687  7.706994       0.8615368 8.059207       1.070044  7.057881       1.452641  2.124674       3.385374  
1 1 1 24 35 7  o 22.68202 2.389283  5.969508       0.8281714 6.193463       0.9373285 5.172462       1.768284  3.661264       4.778566  
1 1 1 24 35 8  o 18.81272 2.282703  3.720007       0.7400984 3.472850       0.8569343 4.445546       1.468222  -1.314934      4.565407  
1 1 1 24 35 9  o 11.74219 2.736265  1.705059       0.7468433 2.003639       0.8315554 0.4595184      1.698399  2.970550       5.472531  
1 1 1 24 35 10 o 19.68793 2.391324  4.600933       0.7882621 4.775233       0.9216728 4.126179       1.521116  3.123592       4.782648  
1 1 1 24 35 11 o 16.87829 3.168934  3.785281       1.050657  3.804104       1.274527  3.745363       1.856025  1.543600       6.337868  
1 1 1 24 35 12 o 9.872717 2.879285  0.2551773      0.9558930 -0.8968551     1.179775  2.456738       1.630918  -6.208851      5.758570  
1 1 1 24 36 0  o 6.935600 3.094210  0.3676522      0.8615661 0.3505778      1.085363  0.3967406      1.416646  0.000000       0.000000  
1 1 1 24 36 1  o 10.50420 2.523350  1.120730       0.6330587 1.068303       0.8754441 1.178193       0.9165290 -0.4102564     5.046700  
1 1 1 24 36 2  o 39.05883 1.261677  15.68070       0.9095590 15.93782       1.098850  15.12116       1.620983  1.300781       2.523354  
1 1 1 24 36 3  o 17.77518 2.497442  3.760211       0.7953264 4.287127       0.9620374 2.622569       1.413593  5.228045       4.994884  
1 1 1 24 36 4  o 28.94360 1.818096  8.445100       1.037503  6.901835       1.352406  10.65239       1.617399  -6.295128      3.636191  
1 1 1 24 36 5  o 7.014107 2.328635  -0.7854649     0.7157854 -0.7989219     0.8292058 -0.7461195     1.417872  -2.340846      4.657270  
1 1 1 24 36 6  o 31.43467 1.547208  10.57466       0.9288055 11.49324       1.187102  9.124728       1.491439  4.043358       3.094415  
1 1 1 24 36 7  o 13.37485 2.465170  2.447275       0.7991735 3.266436       0.9091655 -0.3370239     1.676163  8.279019       4.930340  
1 1 1 24 36 8  o 13.32985 2.623023  2.311632       0.7269084 2.637574       0.8066062 0.9024576      1.677158  4.778069       5.246046  
1 1 1 24 36 9  o 9.487176 2.796041  0.5388598      0.7251185 0.4018634      0.8089902 1.098690       1.635372  -3.159738      5.592083  
1 1 1 24 36 10 o 12.23079 2.691164  1.983255       0.8359995 2.657367       0.9858218 0.2571697      1.577478  5.509590       5.382328  
1 1 1 24 36 11 o 23.93697 2.026992  6.394410       0.9689634 6.856409       1.389029  5.956489       1.352349  1.805050       4.053985  
1 1 1 24 36 12 o 7.933690 2.526833  -0.1962595     0.8487375 -0.8667308     1.113153  0.7347738      1.311739  -2.776147      5.053667  
1 1 1 24 37 0  o 5.468938 2.679716  -0.7299505     0.8959784 -0.7566502     1.112152  -0.6805755     1.512393  0.000000       0.000000  
1 1 1 24 37 1  o 9.802876 2.526664  0.8852172      0.6460042 0.7513566      0.9542003 0.9984890      0.8777557 -0.5461235     5.053329  
1 1 1 24 37 2  o 32.75455 1.571065  10.99449       0.9068218 11.11971       1.762869  10.94943       1.057457  -0.1797180     3.142130  
1 1 1 24 37 3  o 18.35072 2.324751  3.772502       0.7715952 3.969339       0.9445809 3.377760       1.337651  2.359564       4.649502  
1 1 1 24 37 4  o 19.47082 2.245222  3.697651       0.8014570 3.147299       0.9356431 5.214242       1.553189  -4.493502      4.490444  
1 1 1 24 37 5  o 40.98367 1.630334  17.48592       1.327922  18.53394       2.014351  16.68040       1.765993  2.005779       3.260669  
1 1 1 24 37 6  o 15.91974 2.650250  2.876644       0.7710067 2.756739       0.9126848 3.175449       1.440776  -0.3740292     5.300501  
1 1 1 24 37 7  o 9.345848 2.681757  0.6572329      0.7397603 0.6590085      0.8896551 0.6532546      1.331691  -1.001595      5.363513  
1 1 1 24 37 8  o 13.12346 2.689570  2.270714       0.7704327 2.665396       0.8844236 1.028816       1.568844  4.504266       5.379139  
1 1 1 24 37 9  o 8.912210 2.777894  -0.6327751E-01 0.8243400 -0.4572921     0.9423614 1.220830       1.701226  -4.523765      5.555789  
1 1 1 24 37 10 o 12.45423 2.898851  1.965757       0.9137450 2.768942       1.211797  0.9072251      1.391150  4.663876       5.797702  
1 1 1 24 37 11 o 7.617483 2.474226  -0.2616088     0.8675393 0.3492587E-01  1.202052  -0.5839807     1.253326  0.6788025      4.948453  
1 1 1 24 38 0  o 20.90857 2.930566  5.076191       1.082294  5.054779       1.448727  5.103236       1.628122  0.000000       0.000000  
1 1 1 24 38 1  o 10.74439 2.552473  1.243497       0.6746597 1.650336       0.8971276 0.7139188      1.023549  2.644438       5.104947  
1 1 1 24 38 2  o 7.774570 2.363133  -0.4127153E-01 0.6988252 -0.7944872     1.053725  0.5501283      0.9337013 -2.016131      4.726267  
1 1 1 24 38 3  o 16.62532 2.646578  3.219766       0.8292846 3.275078       1.027990  3.116694       1.403296  1.081718       5.293156  
1 1 1 24 38 4  o 22.80136 2.646600  6.036821       1.016957  6.152613       1.190314  5.723864       1.956889  2.614145       5.293200  
1 1 1 24 38 5  o 8.550914 2.486646  0.2714936      0.7612867 0.9838527      0.9007127 -1.510151      1.424450  2.574669       4.973292  
1 1 1 24 38 6  o 18.87442 2.252699  3.929685       0.7497031 3.838496       0.8897666 4.152885       1.392038  0.3314667      4.505397  
1 1 1 24 38 7  o 18.49130 2.846371  3.473210       1.023440  2.050274       1.224382  6.772939       1.864504  -11.11223      5.692742  
1 1 1 24 38 8  o 12.47156 3.369235  1.939136       1.160634  1.956217       1.511905  1.914626       1.811077  -0.3784180E-02 6.738470  
1 1 1 24 38 9  o 11.82662 2.877222  1.772277       0.8384550 2.048753       1.048326  1.281433       1.396816  1.981091       5.754444  
1 1 1 24 38 10 o 17.83817 2.778033  4.316429       1.009839  5.704317       1.379901  2.716006       1.481795  8.382237       5.556066  
1 1 1 24 39 0  o 6.682120 3.061083  0.1626638      0.9047332 -0.1259704     1.149383  0.6327944      1.466899  0.000000       0.000000  
1 1 1 24 39 1  o 15.98581 2.508943  2.975385       0.7702432 3.092047       0.9965554 2.802288       1.213897  1.268027       5.017887  
1 1 1 24 39 2  o 18.12220 2.148430  3.590278       0.7603731 3.262374       1.033492  3.977232       1.122698  -2.105165      4.296859  
1 1 1 24 39 3  o 28.31876 1.615813  8.176410       0.8336297 7.848390       0.9851342 9.003675       1.564472  -1.427225      3.231625  
1 1 1 24 39 4  o 29.06557 1.594865  8.675848       0.8626251 8.321907       1.036326  9.474321       1.556541  -1.391603      3.189729  
1 1 1 24 39 5  o 25.89467 1.927181  6.997346       0.8494031 6.765112       0.9693683 7.765274       1.762730  -0.7763252     3.854362  
1 1 1 24 39 6  o 13.58950 2.946619  2.294084       0.8243064 2.338344       0.9511796 2.160575       1.651991  1.014085       5.893238  
1 1 1 24 39 7  o 23.99127 2.455196  6.710533       1.005117  6.759917       1.184881  6.583804       1.898094  2.223343       4.910392  
1 1 1 24 39 8  o 19.01019 3.379368  5.128764       1.269902  4.357596       2.201507  5.513312       1.554609  -4.490650      6.758737  
1 1 1 24 39 9  o 24.38726 2.135944  6.869867       1.036690  7.649214       1.480270  6.119661       1.452332  3.064600       4.271889  
1 1 1 24 40 0  o 8.028658 3.461645  0.8592600      1.002680  0.7436031      1.284036  1.039989       1.605112  0.000000       0.000000  
1 1 1 24 40 1  o 11.89782 2.713413  1.595114       0.7462437 1.139378       1.001105  2.165005       1.119486  -3.079321      5.426827  
1 1 1 24 40 2  o 8.956611 2.558024  0.5695936      0.7214363 0.8983648      1.011514  0.2291939      1.029247  1.467262       5.116047  
1 1 1 24 40 3  o 19.17778 1.996603  4.002688       0.7647464 4.028225       1.057285  3.974669       1.107491  0.2178211      3.993206  
1 1 1 24 40 4  o 17.97024 2.853168  3.868065       0.8744011 3.856244       0.9918330 3.909304       1.852563  1.880177       5.706336  
1 1 1 24 40 5  o 23.40339 3.424422  7.546152       0.9794893 7.646030       1.034572  6.682412       3.042403  7.232145       6.848844  
1 1 1 24 40 6  o 27.25209 2.157324  9.015414       0.9485964 9.738575       1.099051  6.903211       1.878315  6.612913       4.314648  
1 1 1 24 40 7  o 9.638620 2.835379  0.7566976      0.9109713 1.116768       1.100233  -0.2831858E-01 1.624539  1.025662       5.670758  
1 1 1 24 40 8  o 7.690693 2.531470  -0.5309631     0.9548851 -0.6552209E-01 1.247997  -1.188230      1.483038  0.6456099      5.062940  
1 1 1 24 41 0  o 15.95859 3.479993  3.718577       1.039394  4.616390       1.374481  2.519428       1.588482  0.000000       0.000000  
1 1 1 24 41 1  f 10.70903 2.689614  1.249234       0.7938402 0.2341662      1.272388  1.896164       1.015783  -3.709208      5.379227  
1 1 1 24 41 2  o 12.12337 2.710246  1.767663       0.7391391 2.021992       1.066112  1.532266       1.025663  1.493266       5.420492  
1 1 1 24 41 3  f 13.48742 2.644044  2.126656       0.7442928 1.539928       0.9662737 2.982646       1.167122  -4.273038      5.288088  
1 1 1 24 41 4  o 14.24221 2.955291  2.694723       0.8518420 2.864826       0.9596935 2.062959       1.849503  2.979045       5.910581  
1 1 1 24 41 5  o 15.36652 2.707430  3.291906       0.9160864 4.182851       1.117427  1.465716       1.599803  7.966517       5.414859  
1 1 1 24 41 6  f 40.60217 1.613475  18.64459       1.216750  21.53136       1.554354  14.07629       1.955336  9.780220       3.226950  
1 1 1 24 41 7  o 20.11250 2.567294  5.365932       0.9444922 6.627734       1.226620  3.528292       1.480282  8.616461       5.134587  
1 1 1 24 42 0  o 28.26521 3.486156  10.78429       1.260280  11.72398       1.433960  7.594693       2.641868  0.000000       0.000000  
1 1 1 24 42 1  o 16.70505 2.335418  3.270267       0.7504284 3.194596       1.104379  3.335176       1.022838  -0.6267662     4.670835  
1 1 1 24 42 2  o 10.05044 2.851722  0.9178634      0.9093485 0.2206684      1.372731  1.463049       1.213894  -2.199380      5.703445  
1 1 1 24 42 3  o 17.53337 2.378352  3.903275       0.8127635 5.808642       1.119131  1.776702       1.182311  11.25482       4.756705  
1 1 1 24 42 4  o 29.18369 1.832969  9.172676       0.9741640 8.973285       1.158613  9.653681       1.799532  -0.3593636E-01 3.665939  
1 1 1 24 42 5  o 26.50209 2.103560  8.261975       1.050636  9.466552       1.363876  6.503917       1.647684  6.199581       4.207121  
1 1 1 24 42 6  o 17.10359 3.091959  3.878208       1.026042  3.305225       1.270190  4.954183       1.740599  -2.797978      6.183919  
1 1 1 24 43 0  o 11.91334 4.315223  2.485068       1.200024  2.211335       1.417483  3.177603       2.254627  0.000000       0.000000  
1 1 1 24 43 1  o 31.06172 1.594014  10.19663       0.9621736 9.782278       1.215352  10.89244       1.574928  -1.227701      3.188029  
1 1 1 24 43 2  o 18.05391 2.335964  3.793586       0.8141800 3.747622       1.071368  3.856416       1.252608  0.4384804      4.671929  
1 1 1 24 43 3  o 28.19188 1.615609  8.587522       0.9098150 8.164913       1.249995  9.063644       1.326781  -1.454304      3.231218  
1 1 1 24 43 4  o 18.19535 2.821120  4.682702       1.017751  5.696556       1.299339  3.073162       1.637139  8.003468       5.642241  
1 1 1 24 43 5  o 9.122169 2.845216  0.4861447      0.9995258 0.3940908      1.310214  0.6143014      1.545938  -0.7296200     5.690432  
1 1 1 24 44 0  f 6.489592 3.105226  -0.5714671     1.288524  0.8951180      1.534393  -4.079714      2.373166  0.000000       0.000000  
1 1 1 24 44 1  o 8.637039 2.690482  0.3305151      0.9226939 -0.3497595     1.485227  0.7580867      1.177485  -1.018796      5.380964  
1 1 1 24 44 2  o 10.67514 3.048957  1.358677       1.032160  0.7697486      1.481230  1.914558       1.439071  -2.118946      6.097915  
1 1 1 24 44 3  o 7.401958 2.537761  -1.561827      1.144031  -2.010915      1.530292  -0.9928269     1.722522  -1.254895      5.075522  
1 1 1 25 0  1  o 88.89812 1.586577  80.65009       2.715869  73.64595       4.365088  85.07394       3.469098  0.000000       0.000000  
1 1 1 25 0  2  o 160.9296 2.487959  256.2023       7.391666  250.3028       8.845098  269.8607       13.45854  0.000000       0.000000  
1 1 1 25 0  3  o 62.30951 1.484699  39.34897       1.728710  37.96188       3.001089  40.03776       2.114810  0.000000       0.000000  
1 1 1 25 0  4  o 127.6446 1.659179  163.1039       4.227363  159.6087       5.812404  167.0289       6.159470  0.000000       0.000000  
1 1 1 25 0  5  o 80.87259 1.519084  64.83443       2.288436  63.49657       2.761954  67.76414       4.087184  0.000000       0.000000  
1 1 1 25 0  6  o 29.92192 4.300527  11.84880       1.894479  14.62978       2.336965  6.518018       3.235551  0.000000       0.000000  
1 1 1 25 0  7  f 122.6468 1.854831  150.1532       3.850083  149.4617       4.396204  152.4293       7.975800  0.000000       0.000000  
1 1 1 25 0  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 0  9  f 12.38470 4.247316  1.722341       1.672585  -1.836077      2.649822  4.079059       2.156463  0.000000       0.000000  
1 1 1 25 0  10 o 10.22315 6.262580  1.041033       2.397323  1.041033       2.397323  1.041033       2.397323  0.000000       0.000000  
1 1 1 25 0  11 o 20.75742 5.346115  5.149069       1.914827  5.149069       1.914827  5.149069       1.914827  0.000000       0.000000  
1 1 1 25 0  12 o 62.60287 1.858947  39.32177       2.302401  42.67972       3.516370  36.80177       3.046184  0.000000       0.000000  
1 1 1 25 0  13 o 62.91595 1.921774  40.62540       2.382926  35.26167       3.447200  45.53401       3.297703  0.000000       0.000000  
1 1 1 25 0  14 o 13.13720 6.933716  2.747060       2.403211  2.747060       2.403211  2.747060       2.403211  0.000000       0.000000  
1 1 1 25 0  15 o 45.27607 2.119405  20.59228       1.828005  23.05874       3.108243  19.28809       2.260208  0.000000       0.000000  
1 1 1 25 0  16 o 11.85715 4.809854  1.809433       1.549541  3.470188       3.166631  1.286570       1.776800  0.000000       0.000000  
1 1 1 25 0  17 o 18.11401 5.204064  5.134820       1.746203  5.637693       3.381042  4.951889       2.039228  0.000000       0.000000  
1 1 1 25 0  18 o 13.85767 7.243239  3.714690       2.602810  3.714690       2.602810  3.714690       2.602810  0.000000       0.000000  
1 1 1 25 0  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 0  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 1  0  o 98.01662 1.909879  96.24880       3.740828  96.24880       3.740828  96.24880       3.740828  0.000000       0.000000  
1 1 1 25 1  1  o 46.25033 0.9754050 21.44439       0.8932336 21.68206       1.186016  21.13290       1.357781  0.5982361      1.950810  
1 1 1 25 1  2  o 26.23735 1.936524  6.902476       1.015986  6.807261       1.419801  7.002398       1.454470  -0.3699875     3.873048  
1 1 1 25 1  3  o 66.38700 0.9908451 44.73473       1.273224  46.81670       1.630419  41.48061       2.038353  4.030731       1.981690  
1 1 1 25 1  4  o 53.59006 0.9386890 28.55791       0.9980068 27.38114       1.318725  30.13537       1.526821  -2.563511      1.877378  
1 1 1 25 1  5  o 27.91309 1.437263  7.816237       0.7996796 7.026125       1.123291  8.628178       1.138702  -2.868971      2.874525  
1 1 1 25 1  6  o 95.72572 1.136711  91.52241       2.173448  97.63086       3.163122  86.05888       2.991493  6.037384       2.273422  
1 1 1 25 1  7  o 64.76416 0.8617974 41.56240       1.079793  43.60903       1.787330  40.38608       1.355025  2.472248       1.723595  
1 1 1 25 1  8  o 109.5586 1.523197  120.2237       3.331205  116.1069       4.544982  125.0024       4.896728  -4.026863      3.046394  
1 1 1 25 1  9  o 47.70676 1.467421  22.92420       1.392405  25.82726       1.977231  20.06808       1.961185  6.034363       2.934841  
1 1 1 25 1  10 o 14.88228 3.965271  1.702380       1.609791  1.207664       2.164377  2.314878       2.408284  -2.377645      7.930542  
1 1 1 25 1  11 o 16.65137 3.585494  2.878769       1.321140  2.196057       1.850918  3.587859       1.886334  -3.261811      7.170989  
1 1 1 25 1  12 o 38.61315 1.550907  14.98230       1.191094  12.91864       1.625870  17.37278       1.749882  -5.738453      3.101814  
1 1 1 25 1  13 o 34.19975 1.675273  11.92973       1.142027  11.13081       1.643156  12.67628       1.588377  -2.278732      3.350546  
1 1 1 25 1  14 o 66.56242 2.060580  45.52781       2.741414  45.44151       3.808979  45.62054       3.948685  -0.6819916E-01 4.121159  
1 1 1 25 1  15 o 35.36433 1.690979  12.57782       1.180864  10.11472       1.570783  15.77905       1.790741  -7.903755      3.381958  
1 1 1 25 1  16 o 10.73850 3.131349  0.5288544      1.100442  -0.7846265E-02 1.504691  1.146000       1.613523  -2.274552      6.262697  
1 1 1 25 1  17 o 36.10592 1.921603  13.91205       1.377641  15.35969       1.920040  12.37599       1.977801  4.196495       3.843207  
1 1 1 25 1  18 o 23.48660 4.046661  7.867848       1.921064  9.289715       2.592006  6.134899       2.861537  6.888258       8.093322  
1 1 1 25 1  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 1  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 2  0  o 59.03759 1.590076  34.94704       1.874471  34.94704       1.874471  34.94704       1.874471  0.000000       0.000000  
1 1 1 25 2  1  o 19.70404 2.239023  3.872379       0.8732818 3.731126       1.146281  4.067764       1.348144  -0.8418484     4.478046  
1 1 1 25 2  2  o 103.7446 1.000122  107.7157       2.075138  107.4008       2.934718  108.0306       2.934659  -0.3035355     2.000244  
1 1 1 25 2  3  o 71.07922 0.9222106 50.24284       1.287248  52.18841       2.039827  48.95531       1.659390  2.263847       1.844421  
1 1 1 25 2  4  o 89.54662 0.9869041 80.30908       1.755714  80.71947       2.354362  79.79493       2.635216  0.5250702      1.973808  
1 1 1 25 2  5  o 13.03415 2.472812  1.657847       0.6712628 2.504241       1.046371  1.065918       0.8750536 4.882555       4.945625  
1 1 1 25 2  6  o 32.12932 1.202565  10.59442       0.7491568 9.106824       1.163851  11.64683       0.9789216 -3.960613      2.405130  
1 1 1 25 2  7  o 66.53822 1.341107  44.32251       1.784698  44.32251       1.784698  ?              ?         ?              ?         
1 1 1 25 2  8  o 66.45641 1.737171  44.28138       2.308923  44.28138       2.308923  ?              ?         ?              ?         
1 1 1 25 2  9  o 62.13825 1.343892  38.80456       1.667277  41.28548       2.352653  36.30145       2.363153  4.011456       2.687783  
1 1 1 25 2  10 o 25.13361 2.724010  6.112655       1.304073  7.563241       2.301679  5.426863       1.582592  4.054962       5.448020  
1 1 1 25 2  11 o 12.28379 3.288678  0.8965256      1.095844  0.2901170      1.363954  2.000733       1.840528  -4.576964      6.577356  
1 1 1 25 2  12 o 15.45258 3.081711  2.513120       1.000129  1.993256       1.353274  3.138802       1.484627  -3.182001      6.163421  
1 1 1 25 2  13 o 51.12827 1.867972  26.41467       1.910124  26.41467       1.910124  ?              ?         ?              ?         
1 1 1 25 2  14 o 14.63599 4.074251  1.506819       1.792277  0.4611995      2.476489  2.656800       2.597137  -3.504298      8.148501  
1 1 1 25 2  15 o 8.730488 2.727876  -0.2647766     0.9359756 -0.1029241     1.261654  -0.4628855     1.395831  0.9686470E-01  5.455752  
1 1 1 25 2  16 o 12.40528 3.312414  1.421713       1.139531  1.802731       1.485382  0.8767147      1.776490  1.402908       6.624828  
1 1 1 25 2  17 o 14.93556 3.461331  2.671649       1.203141  2.103752       1.627861  3.355341       1.786129  -2.901984      6.922662  
1 1 1 25 2  18 o 15.84312 4.183774  3.571944       1.794589  4.085279       2.545976  3.065046       2.529966  1.718045       8.367548  
1 1 1 25 2  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 2  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 3  0  o 69.88767 1.646253  48.94974       2.298220  48.94974       2.298220  48.94974       2.298220  0.000000       0.000000  
1 1 1 25 3  1  o 92.62848 1.226678  85.89956       2.228490  85.89156       2.882006  85.91148       3.514359  0.1062012E-01  2.453356  
1 1 1 25 3  2  f 87.41989 0.9124916 76.40842       1.594592  74.46238       2.212446  78.51209       2.300306  -2.313957      1.824983  
1 1 1 25 3  3  o 55.36019 0.8512307 30.66430       0.9424105 30.82897       1.342699  30.50441       1.323057  0.2926254      1.702461  
1 1 1 25 3  4  o 18.11505 2.032941  3.433139       0.6973049 4.292198       0.9715359 2.520420       1.001419  5.153225       4.065882  
1 1 1 25 3  5  o 53.06691 0.8904498 27.79014       0.9308643 30.37614       1.473047  26.07090       1.201077  4.048241       1.780900  
1 1 1 25 3  6  o 31.05975 1.149992  9.374710       0.6877899 10.69652       1.170092  8.676889       0.8501728 3.237856       2.299983  
1 1 1 25 3  7  f 11.66339 4.434820  0.000000       0.000000  ?              ?         0.9696701      1.431677  ?              ?         
1 1 1 25 3  8  o 59.67408 1.869451  0.000000       0.000000  ?              ?         35.72095       2.231155  ?              ?         
1 1 1 25 3  9  o 114.3462 1.616245  130.6734       3.685076  143.4157       5.463071  120.0351       4.991735  10.16721       3.232491  
1 1 1 25 3  10 o 61.84927 1.321755  37.80323       1.612131  34.87536       2.082121  42.18590       2.547410  -5.848251      2.643510  
1 1 1 25 3  11 o 15.11394 3.121589  2.356375       1.013884  1.801671       1.379948  3.007084       1.494604  -3.317576      6.243177  
1 1 1 25 3  12 o 23.59039 2.266937  5.505436       1.046457  4.184877       1.358474  7.432604       1.641089  -6.781681      4.533874  
1 1 1 25 3  13 o 22.85339 3.600106  0.000000       0.000000  ?              ?         5.427904       1.645492  ?              ?         
1 1 1 25 3  14 o 14.38048 3.958437  0.3375684      1.652469  -1.247787      1.970677  4.092461       3.032850  -9.539944      7.916875  
1 1 1 25 3  15 o 18.60575 3.103752  3.775184       1.335078  6.646756       1.884486  0.8815696      1.891705  12.95332       6.207505  
1 1 1 25 3  16 o 19.97959 2.818866  4.317298       1.102847  3.410060       1.466574  5.498002       1.673068  -5.310730      5.637732  
1 1 1 25 3  17 o 21.28877 2.808644  5.315286       1.146775  6.162708       1.547842  4.284091       1.707448  5.003693       5.617287  
1 1 1 25 3  18 o 16.49455 3.973651  3.242788       1.916540  -0.2927945     2.669200  7.005393       2.753562  -10.81103      7.947302  
1 1 1 25 3  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 3  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 4  0  o 86.39136 1.535352  75.19754       2.530233  73.64278       4.239986  76.05743       3.153238  0.000000       0.000000  
1 1 1 25 4  1  o 156.4793 1.707743  244.8594       5.025741  243.7670       6.133452  247.0913       8.767488  -0.9375305     3.415487  
1 1 1 25 4  2  o 36.59626 1.178566  13.40877       0.8616921 12.59628       1.209824  14.24532       1.227604  -2.252399      2.357132  
1 1 1 25 4  3  o 29.32963 1.314059  8.727959       0.7597986 9.524231       1.023728  7.751417       1.133703  3.026608       2.628117  
1 1 1 25 4  4  f 62.44778 0.8614735 39.00520       1.047861  39.10610       1.686476  38.94175       1.337330  0.1218643      1.722947  
1 1 1 25 4  5  o 28.89089 1.177627  8.356269       0.6777283 8.376936       1.004991  8.339032       0.9178329 0.6211090E-01  2.355255  
1 1 1 25 4  6  o 30.17465 1.418301  9.164951       0.7930288 9.015260       1.413757  9.233676       0.9579281 -0.3852692     2.836602  
1 1 1 25 4  7  o 63.34565 1.122806  39.15475       1.318967  37.53201       1.576162  42.94603       2.409179  -4.230667      2.245612  
1 1 1 25 4  8  o 97.79889 1.250186  96.37173       2.402922  98.48894       3.139902  93.37907       3.733038  2.659760       2.500372  
1 1 1 25 4  9  o 58.54640 1.629340  25.52656       1.556727  20.13948       1.704182  52.67728       3.825866  -27.51516      3.258681  
1 1 1 25 4  10 o 57.75990 1.360723  33.75771       1.561403  37.07485       2.167376  30.17860       2.251332  5.981277       2.721445  
1 1 1 25 4  11 o 28.55826 2.027321  8.430737       1.134352  9.726121       1.546611  6.922623       1.668778  4.937000       4.054641  
1 1 1 25 4  12 o 15.49916 3.011104  2.380970       0.9820219 1.482773       1.262075  3.759232       1.563382  -6.282496      6.022208  
1 1 1 25 4  13 o 50.74871 2.073525  0.000000       0.000000  ?              ?         26.09227       2.104574  ?              ?         
1 1 1 25 4  14 o 11.00693 3.590903  -1.407954      1.764988  -1.262766      2.180549  -1.683804      3.005640  -1.644056      7.181806  
1 1 1 25 4  15 o 25.98065 2.606560  7.125483       1.352664  6.794902       1.924976  7.447933       1.901157  -1.274370      5.213121  
1 1 1 25 4  16 o 22.16044 2.866242  5.574188       1.213617  6.550503       1.637973  4.385862       1.807089  5.410675       5.732484  
1 1 1 25 4  17 o 11.46223 3.227280  1.176461       1.109797  1.307204       1.470320  1.003346       1.691879  0.2222958      6.454559  
1 1 1 25 4  18 o 13.26286 3.967628  1.617632       1.887254  0.9791753E-01  2.643368  3.197709       2.695353  -3.745492      7.935256  
1 1 1 25 4  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 5  0  o 69.17537 1.385250  47.53455       1.816522  49.48833       3.129485  46.54177       2.230796  0.000000       0.000000  
1 1 1 25 5  1  o 22.10393 2.344966  6.117245       0.8240280 7.702886       1.003463  2.833817       1.443985  11.26345       4.689931  
1 1 1 25 5  2  o 118.2294 1.201670  139.8487       2.811162  140.6521       4.306945  139.2523       3.710554  0.5707626      2.403341  
1 1 1 25 5  3  o 67.16982 0.8646279 45.30373       1.147351  44.10865       1.753374  46.19866       1.517306  -1.562126      1.729256  
1 1 1 25 5  4  o 17.18857 1.775164  2.893872       0.5892097 3.223689       0.9913113 2.713705       0.7326759 1.468414       3.550328  
1 1 1 25 5  5  o 47.05527 0.8803158 22.09883       0.8231424 22.67025       1.243314  21.65293       1.098321  1.076607       1.760632  
1 1 1 25 5  6  o 32.91502 1.221470  10.58416       0.7411960 11.53657       1.366618  10.18726       0.8822213 2.027613       2.442940  
1 1 1 25 5  7  o 39.94891 1.355586  15.49216       0.9927644 14.78382       1.174599  17.26359       1.857511  -3.059525      2.711172  
1 1 1 25 5  8  o 99.84863 1.264204  100.2510       2.503071  97.89806       3.771042  102.1040       3.346599  -2.140923      2.528408  
1 1 1 25 5  9  o 93.79604 1.732535  87.99657       2.993534  87.08753       3.583864  90.09457       5.444540  -1.346016      3.465070  
1 1 1 25 5  10 o 60.87508 1.308172  36.95156       1.573345  35.47598       2.052701  39.05301       2.449649  -2.884560      2.616345  
1 1 1 25 5  11 o 72.83571 1.307182  53.55672       1.895595  55.94641       2.598359  50.83779       2.771568  3.534416       2.614363  
1 1 1 25 5  12 o 39.71040 1.516553  16.24531       1.181633  18.53129       1.607062  13.55496       1.743417  6.301529       3.033105  
1 1 1 25 5  13 o 22.83986 2.262219  5.365647       1.029975  5.215904       1.393412  5.546011       1.529256  -0.6563416     4.524439  
1 1 1 25 5  14 o 20.12301 4.342745  4.780704       1.824912  5.146471       2.110747  3.697887       3.631710  2.553474       8.685491  
1 1 1 25 5  15 o 18.77925 3.470658  4.032009       1.319705  4.301798       1.780666  3.703232       1.965716  1.554768       6.941315  
1 1 1 25 5  16 o 39.01312 1.652713  15.57080       1.277997  14.85908       1.682766  16.54077       1.964484  -1.970287      3.305425  
1 1 1 25 5  17 o 12.73703 3.008280  1.425288       1.154693  3.472938       1.540820  -1.197833      1.743947  8.357212       6.016560  
1 1 1 25 5  18 o 11.63923 3.712922  0.4540439      1.820548  0.4415396      2.435261  0.4698858      2.741071  -0.4444065     7.425844  
1 1 1 25 5  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 6  0  o 11.43412 3.844813  1.782851       0.9532531 2.490297       1.655764  1.432117       1.165847  0.000000       0.000000  
1 1 1 25 6  1  o 72.01691 1.130150  50.91140       1.461256  49.68411       1.711985  54.20515       2.804604  -3.103203      2.260300  
1 1 1 25 6  2  f 64.06493 1.003223  41.59584       1.147650  39.92574       2.166137  42.24760       1.353179  -1.836143      2.006445  
1 1 1 25 6  3  o 35.73892 1.020102  12.57495       0.7115334 13.71786       1.159480  11.88455       0.9011705 2.556454       2.040205  
1 1 1 25 6  4  o 51.31349 0.9644009 26.56829       0.8720949 25.89926       1.687475  26.81210       1.018679  -0.9102211     1.928802  
1 1 1 25 6  5  o 56.54266 0.9875760 32.36377       1.080053  30.52032       1.740963  33.51715       1.377086  -2.662399      1.975152  
1 1 1 25 6  6  o 75.50613 1.102440  57.47286       1.640627  54.66011       2.510870  59.56845       2.167262  -3.264984      2.204881  
1 1 1 25 6  7  o 14.99784 2.996304  2.039590       0.8446747 1.685145       0.9743702 3.111502       1.694452  -4.470722      5.992607  
1 1 1 25 6  8  o 89.52699 1.521698  80.32193       2.394184  80.85331       4.687712  80.13441       2.784784  0.2182922      3.043397  
1 1 1 25 6  9  o 112.0812 1.711794  126.0693       3.837198  126.0693       3.837198  ?              ?         ?              ?         
1 1 1 25 6  10 o 36.61432 1.748396  13.40875       1.203812  13.18429       1.465151  13.87508       2.111872  -0.8267670     3.496793  
1 1 1 25 6  11 o 14.46278 3.157414  2.168437       0.9812066 2.220349       1.221436  2.073982       1.647578  0.2878571E-01  6.314828  
1 1 1 25 6  12 o 20.60012 2.447711  4.393829       0.9502536 4.267252       1.192290  4.614237       1.573318  -0.3303394     4.895422  
1 1 1 25 6  13 o 39.76307 1.498826  15.30324       1.148962  13.51143       1.415687  18.76115       1.966651  -6.423981      2.997652  
1 1 1 25 6  14 o 37.23537 3.090632  14.01618       2.076040  13.03777       2.423751  16.71131       4.022703  -3.708645      6.181264  
1 1 1 25 6  15 o 30.44178 2.399966  9.648807       1.452293  11.24892       2.141666  8.286635       1.976025  4.748236       4.799932  
1 1 1 25 6  16 o 40.66801 1.720003  16.69045       1.347528  15.65697       1.671527  18.60895       2.277426  -3.210392      3.440006  
1 1 1 25 6  17 o 15.24333 3.369223  2.773711       1.134210  2.225587       1.477196  3.560966       1.770339  -3.151600      6.738446  
1 1 1 25 6  18 o 10.68566 3.494931  -0.5356045     1.765998  0.4548500      2.592988  -1.392503      2.411836  1.932148       6.989862  
1 1 1 25 6  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 7  0  o 47.17242 1.411350  22.38339       1.266079  22.41368       2.135122  22.36696       1.572341  0.000000       0.000000  
1 1 1 25 7  1  o 114.2920 1.163880  129.3515       2.609561  137.8933       4.170013  123.8532       3.345633  6.113106       2.327760  
1 1 1 25 7  2  o 127.1986 1.256157  161.4640       3.146989  165.1714       4.922479  158.9013       4.092584  2.432190       2.512315  
1 1 1 25 7  3  o 101.2437 1.017386  102.6483       2.002109  102.3970       3.236175  102.8041       2.548332  -0.2236786     2.034771  
1 1 1 25 7  4  f 50.79892 0.9987431 0.000000       0.000000  ?              ?         25.81757       1.014701  ?              ?         
1 1 1 25 7  5  o 57.60098 1.031722  32.74284       1.165640  35.54995       1.869679  30.95804       1.490839  3.972118       2.063444  
1 1 1 25 7  6  o 73.77351 1.028551  54.55410       1.438795  54.29532       2.460718  54.68854       1.773562  -0.2949677     2.057102  
1 1 1 25 7  7  o 45.54661 0.8578002 20.60074       0.7409715 21.29357       1.278455  20.25028       0.9092648 1.128139       1.715600  
1 1 1 25 7  8  o 103.0284 1.313734  105.5169       2.659610  111.5498       4.220942  101.5445       3.425060  4.787392       2.627467  
1 1 1 25 7  9  o 9.375668 2.430942  0.6228654      0.6691412 1.239278       0.8063183 -0.7407691     1.199278  3.296985       4.861884  
1 1 1 25 7  10 o 37.28147 1.681652  14.25454       1.178074  14.75285       1.452282  13.29570       2.014543  2.051468       3.363304  
1 1 1 25 7  11 f 54.90994 1.319177  30.19464       1.417424  29.64483       1.817327  31.04856       2.264827  -1.202438      2.638353  
1 1 1 25 7  12 o 32.28994 1.714309  10.14275       1.056162  9.210949       1.287408  12.06068       1.847014  -4.236385      3.428617  
1 1 1 25 7  13 o 25.19702 2.152525  5.825713       1.022663  4.451946       1.224268  8.997375       1.860216  -8.728930      4.305049  
1 1 1 25 7  14 o 12.12961 3.343780  0.7616280      1.280382  -0.7443103     1.838143  2.180976       1.784515  -4.788504      6.687560  
1 1 1 25 7  15 o 12.74119 3.530622  1.269474       1.274384  1.047413       1.608737  1.643586       2.088099  -1.934549      7.061245  
1 1 1 25 7  16 o 43.13488 1.592882  19.35024       1.333559  20.12472       1.714336  18.16349       2.122135  2.527733       3.185765  
1 1 1 25 7  17 f 19.40824 3.120507  4.390959       1.191688  3.091851       1.553478  6.248534       1.857614  -7.196138      6.241015  
1 1 1 25 7  18 o 12.95052 3.905769  1.622740       1.816022  2.338044       2.484806  0.8025858      2.660693  1.730812       7.811538  
1 1 1 25 7  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 8  0  o 93.05584 1.590474  86.22872       2.794277  88.70931       4.845888  84.99308       3.420141  0.000000       0.000000  
1 1 1 25 8  1  o 144.0098 1.343145  205.5612       3.706235  215.1642       6.272240  200.4095       4.594039  5.052673       2.686290  
1 1 1 25 8  2  o 84.28760 0.9583445 71.28792       1.605171  69.36584       2.392224  72.86201       2.164874  -2.080940      1.916689  
1 1 1 25 8  3  o 77.46119 0.9955381 60.44888       1.418735  59.05679       2.558044  61.06733       1.704994  -1.325256      1.991076  
1 1 1 25 8  4  o 34.68171 1.179203  11.73383       0.7260030 12.71927       1.424845  11.38827       0.8437458 1.895912       2.358405  
1 1 1 25 8  5  o 42.65205 1.170504  18.29232       0.9916586 15.78759       1.399062  20.82123       1.405797  -5.900532      2.341009  
1 1 1 25 8  6  o 62.30563 1.080959  38.65370       1.333354  40.38454       2.055146  37.39557       1.752179  2.384453       2.161918  
1 1 1 25 8  7  o 46.02801 0.8592827 21.01467       0.7527396 21.84832       1.290918  20.58519       0.9265656 1.353786       1.718565  
1 1 1 25 8  8  o 15.65919 3.095314  2.393851       0.8928487 2.248964       1.018592  2.874401       1.855048  -2.076171      6.190629  
1 1 1 25 8  9  o 48.97096 1.177713  24.15511       1.149233  25.52843       1.590218  22.65371       1.662728  2.943123       2.355427  
1 1 1 25 8  10 o 10.34064 2.520557  0.9966179      0.6362559 1.183573       0.8415027 0.7470886      0.9721812 1.046375       5.041114  
1 1 1 25 8  11 o 39.76096 1.541893  16.05779       1.203986  16.57724       1.575944  15.32958       1.865943  1.626789       3.083787  
1 1 1 25 8  12 o 24.60059 2.205788  6.087728       1.018016  5.875799       1.232112  6.543641       1.807162  -1.127707      4.411576  
1 1 1 25 8  13 o 31.18705 1.844517  9.174282       1.080567  7.905980       1.288538  12.17994       1.983606  -6.580526      3.689034  
1 1 1 25 8  14 o 27.31272 2.153429  7.801264       1.112793  7.970861       1.378457  7.483943       1.885527  1.184673       4.306858  
1 1 1 25 8  15 o 20.60652 2.706809  4.326690       1.006740  3.763975       1.198768  5.673324       1.854452  -3.893934      5.413618  
1 1 1 25 8  16 o 15.30579 3.348949  2.761648       1.129579  3.131594       1.356945  1.926712       2.038543  2.673899       6.697899  
1 1 1 25 8  17 o 11.33103 2.856896  0.8191469      1.068503  2.769431       1.398168  -1.919048      1.656696  7.438217       5.713792  
1 1 1 25 8  18 o 21.14919 4.335691  6.622791       1.945112  5.569544       2.612872  7.932050       2.913171  -3.884163      8.671382  
1 1 1 25 8  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 9  0  o 74.39382 1.327186  55.11596       1.718666  56.26598       3.418561  54.72697       1.988197  0.000000       0.000000  
1 1 1 25 9  1  o 54.97408 1.012856  30.02378       1.075624  41.99677       1.612418  20.42358       1.443830  19.61589       2.025711  
1 1 1 25 9  2  o 59.54228 0.8852469 34.79235       1.036283  39.12192       1.657459  32.01372       1.327809  5.959442       1.770494  
1 1 1 25 9  3  f 15.31634 2.103991  2.290725       0.6227360 3.042459       1.008000  1.826711       0.7919422 4.183198       4.207981  
1 1 1 25 9  4  o 68.89510 1.003657  47.09594       1.242536  48.46099       2.362309  46.57383       1.460957  1.338737       2.007315  
1 1 1 25 9  5  o 88.93317 1.486587  79.18547       2.644138  79.18547       2.644138  ?              ?         ?              ?         
1 1 1 25 9  6  o 62.43254 0.9587142 39.73046       1.104982  37.16525       1.957145  40.93076       1.338767  -3.042740      1.917428  
1 1 1 25 9  7  o 45.41429 0.8699431 20.03131       0.7566722 22.77227       1.303081  18.63691       0.9294215 4.532375       1.739886  
1 1 1 25 9  8  o 45.71636 1.158086  20.59682       1.049159  18.29791       1.375524  23.79460       1.622297  -5.991463      2.316172  
1 1 1 25 9  9  o 13.08789 2.568837  1.750838       0.7222695 2.467980       1.046837  1.099294       0.9978120 4.394664       5.137674  
1 1 1 25 9  10 o 12.83763 2.632703  1.725425       0.7130208 1.815496       0.9446557 1.606167       1.086985  0.5757208      5.265405  
1 1 1 25 9  11 o 21.94054 1.535800  5.382061       0.6038333 6.735568       0.7740294 3.277611       0.9651545 7.915983       3.071599  
1 1 1 25 9  12 o 13.53295 3.218757  1.662698       0.9590684 1.337758       1.139396  2.452538       1.776408  -3.586268      6.437514  
1 1 1 25 9  13 o 34.35279 1.840328  12.72710       1.185149  14.81128       1.524168  9.539986       1.884794  7.807568       3.680656  
1 1 1 25 9  14 o 22.76443 2.531204  5.511305       1.086187  5.497284       1.374941  5.534581       1.771567  0.5460663      5.062409  
1 1 1 25 9  15 o 23.32360 2.757339  7.075874       1.079834  9.088069       1.338415  3.323662       1.827676  12.85793       5.514677  
1 1 1 25 9  16 o 17.82998 3.086984  3.558605       1.036258  3.446687       1.252506  3.801424       1.844895  -0.3526058     6.173969  
1 1 1 25 9  17 o 12.25068 3.226853  1.542256       1.042763  1.066518       1.325214  2.315682       1.689706  -3.052567      6.453706  
1 1 1 25 9  18 o 14.96255 3.975870  2.942406       1.736766  4.920882       2.505914  1.113617       2.409253  5.960481       7.951740  
1 1 1 25 9  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 10 0  o 32.73406 1.601129  10.40106       0.9016675 11.85335       1.844207  9.944853       1.033632  0.000000       0.000000  
1 1 1 25 10 1  o 142.9386 1.279300  204.6058       3.656956  206.2944       5.210389  202.9664       5.133895  1.160934       2.558600  
1 1 1 25 10 2  o 97.80650 1.351245  95.74392       2.643210  95.74392       2.643210  ?              ?         ?              ?         
1 1 1 25 10 3  o 14.59005 2.047813  2.169497       0.5846943 1.613632       0.7983323 2.812655       0.8587328 -4.308468      4.095625  
1 1 1 25 10 4  o 58.65954 1.071310  0.000000       0.000000  ?              ?         34.42953       1.256851  ?              ?         
1 1 1 25 10 5  o 58.64973 0.9377584 34.36875       1.098901  32.96204       1.513880  35.93548       1.597664  -2.531715      1.875517  
1 1 1 25 10 6  o 23.51167 1.599301  5.461166       0.6764469 5.749233       1.290200  5.351962       0.7943844 0.8046417      3.198603  
1 1 1 25 10 7  o 38.52444 0.9688239 15.05591       0.7221438 14.08462       1.160237  15.67013       0.9226425 -2.072594      1.937648  
1 1 1 25 10 8  o 51.15106 1.132085  26.23047       1.157629  25.97032       1.609918  26.50899       1.665781  -0.5215721     2.264169  
1 1 1 25 10 9  o 65.95978 1.112748  43.55061       1.464158  45.11492       2.163678  42.22915       1.988641  2.167953       2.225495  
1 1 1 25 10 10 o 42.18680 1.093514  17.82484       0.9131850 17.59415       1.204486  18.13669       1.400427  -0.6191864     2.187029  
1 1 1 25 10 11 o 42.02079 1.019921  17.66864       0.8320242 17.47146       1.053836  17.99496       1.355694  -0.5789375     2.039841  
1 1 1 25 10 12 o 18.54768 1.582473  3.019197       0.5461249 2.116153       0.6493908 5.200827       1.009351  -8.203613      3.164946  
1 1 1 25 10 13 o 19.95497 2.977437  3.670846       1.060014  2.758104       1.231715  6.277198       2.081387  -8.050704      5.954875  
1 1 1 25 10 14 o 24.65802 2.327738  5.549728       1.040707  4.591169       1.202366  8.412799       2.077989  -7.155479      4.655475  
1 1 1 25 10 15 o 13.92739 3.233340  1.263646       1.049465  0.1756681      1.230118  4.173392       2.011704  -9.713011      6.466680  
1 1 1 25 10 16 f 10.65388 3.194732  0.4474461      1.020626  0.3538125      1.162610  0.7620947      2.131234  -2.968259      6.389464  
1 1 1 25 10 17 o 13.76146 3.911198  1.994582       1.768260  3.213851       2.266082  0.9636781E-01  2.827472  3.691542       7.822396  
1 1 1 25 10 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 10 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 11 0  o 106.1046 1.649748  111.3765       3.005551  115.8581       6.133892  109.9606       3.447811  0.000000       0.000000  
1 1 1 25 11 1  o 45.27425 0.9022427 20.27583       0.8038619 19.26550       1.036492  21.80079       1.273397  -2.792713      1.804485  
1 1 1 25 11 2  o 27.44002 1.248858  7.513413       0.6782164 7.357274       0.8924549 7.726849       1.043429  -0.6669807     2.497717  
1 1 1 25 11 3  o 84.23642 0.9594405 70.79291       1.592174  69.72372       2.072094  72.33416       2.487835  -1.535446      1.918881  
1 1 1 25 11 4  o 46.96482 0.9030564 22.18476       0.8420222 21.05118       1.250329  23.12552       1.139035  -2.212193      1.806113  
1 1 1 25 11 5  o 37.14510 1.065741  13.86199       0.7891555 12.86536       1.132421  14.80295       1.100339  -2.609646      2.131482  
1 1 1 25 11 6  o 38.38134 1.034630  14.75789       0.7941563 14.57510       1.123874  14.94018       1.122341  -0.4756927     2.069259  
1 1 1 25 11 7  o 81.62556 0.9830467 66.18053       1.588410  70.55981       2.457813  63.03962       2.081498  4.582329       1.966093  
1 1 1 25 11 8  o 23.43724 1.797720  5.334293       0.8095886 4.858835       0.9958912 6.260762       1.390179  -2.928610      3.595441  
1 1 1 25 11 9  o 64.01826 1.224243  41.14008       1.544121  41.02634       2.016063  41.30147       2.401624  -0.1660500     2.448485  
1 1 1 25 11 10 o 33.93929 1.249932  11.70032       0.7891067 11.91679       0.9592645 11.24724       1.387815  1.049393       2.499864  
1 1 1 25 11 11 o 32.04138 1.197670  10.17461       0.7487543 9.647383       0.9484707 11.04661       1.219795  -2.130291      2.395340  
1 1 1 25 11 12 o 32.01639 1.172158  9.987720       0.6906340 9.486121       0.8190094 11.22223       1.284868  -2.596796      2.344315  
1 1 1 25 11 13 o 26.08732 1.593029  6.759466       0.8199697 7.905995       1.296025  5.994207       1.058827  3.578119       3.186058  
1 1 1 25 11 14 o 12.44018 3.168513  1.174248       0.9766477 0.5719360      1.182700  2.465457       1.731659  -5.254560      6.337027  
1 1 1 25 11 15 o 12.14181 3.207610  1.387467       1.017061  1.529328       1.236273  1.090393       1.789024  0.3733921E-01  6.415220  
1 1 1 25 11 16 f 13.46734 3.212385  2.056591       1.024009  2.218369       1.323659  1.815447       1.616049  0.8403873      6.424769  
1 1 1 25 11 17 o 17.30811 4.010765  4.165167       1.734068  5.481615       2.273060  2.332347       2.682065  6.007991       8.021530  
1 1 1 25 11 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 11 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 12 0  o 15.21321 3.428536  2.414718       0.8386548 4.329899       1.710534  1.808655       0.9622452 0.000000       0.000000  
1 1 1 25 12 1  o 90.51779 0.9894319 82.31757       1.777218  84.68855       2.389147  79.38023       2.659221  2.941399       1.978864  
1 1 1 25 12 2  o 94.30547 1.002717  89.25900       1.885486  92.92886       2.602260  85.20310       2.735703  4.100838       2.005434  
1 1 1 25 12 3  o 50.56823 0.8796586 25.73411       0.8842250 22.82425       1.264548  28.51802       1.236877  -5.630680      1.759317  
1 1 1 25 12 4  o 97.42534 0.9659441 95.01979       1.882141  94.78874       2.663175  95.25035       2.660326  -0.2370071     1.931888  
1 1 1 25 12 5  o 82.94355 0.9425470 69.03129       1.551633  67.62305       2.330564  70.15247       2.079514  -1.536484      1.885094  
1 1 1 25 12 6  o 33.79524 0.9709828 11.41195       0.6550202 10.46163       0.9038387 12.46315       0.9506065 -2.958366      1.941966  
1 1 1 25 12 7  o 23.76247 1.317201  5.665404       0.6259110 5.794636       0.8880676 5.537846       0.8823042 0.5398064      2.634402  
1 1 1 25 12 8  o 22.52581 1.347498  5.120941       0.5989370 5.244555       0.7906884 4.954526       0.9174204 0.6597118      2.694996  
1 1 1 25 12 9  o 16.20636 2.657248  2.638625       0.7738413 2.460214       0.9061242 3.119378       1.487433  -1.779729      5.314495  
1 1 1 25 12 10 o 35.21967 1.241296  11.94140       0.8163041 11.07812       0.9757833 13.95417       1.489957  -4.001450      2.482592  
1 1 1 25 12 11 o 33.57960 1.350907  11.60195       0.8769948 12.36981       1.128650  10.43187       1.393242  2.949375       2.701814  
1 1 1 25 12 12 o 22.91325 2.296313  5.151755       0.6964858 5.028209       0.7464678 5.982728       1.935934  -1.169071      4.592626  
1 1 1 25 12 13 o 10.16236 2.546490  0.7389567      0.5041692 0.6024653      0.5484081 1.484032       1.281301  -4.243494      5.092979  
1 1 1 25 12 14 o 15.25770 2.688253  2.775674       0.8908519 1.028261       1.511682  3.705420       1.102668  -7.346032      5.376507  
1 1 1 25 12 15 o 11.89659 3.166583  1.304501       1.041251  1.775028       1.246062  0.2155273      1.895640  1.873301       6.333166  
1 1 1 25 12 16 o 14.18367 2.970833  2.436502       0.8429039 2.602540       0.9505454 1.825428       1.823545  2.174583       5.941665  
1 1 1 25 12 17 o 9.413549 3.866930  0.6051062      1.167818  0.6051062      1.167818  ?              ?         ?              ?         
1 1 1 25 12 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 12 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 13 0  o 33.90581 1.632242  11.13302       0.9506394 12.75436       1.952132  10.62900       1.088416  0.000000       0.000000  
1 1 1 25 13 1  o 59.06995 0.8209185 34.89806       0.9695761 35.87895       1.389420  33.96703       1.353655  1.617298       1.641837  
1 1 1 25 13 2  o 33.11347 1.090754  11.05027       0.7153470 12.81589       1.011448  9.283211       1.011859  5.334229       2.181509  
1 1 1 25 13 3  o 52.20741 1.078655  27.64850       1.110987  24.33355       1.646588  30.41879       1.505253  -5.833954      2.157310  
1 1 1 25 13 4  o 50.80254 0.9217688 25.95300       0.9275072 26.75061       1.239865  24.93947       1.397651  1.789112       1.843538  
1 1 1 25 13 5  o 64.29977 0.8189735 41.39439       1.052988  41.69839       1.477794  41.08086       1.500771  0.4812622      1.637947  
1 1 1 25 13 6  o 8.320509 2.338914  0.2179399      0.6233629 -0.4128745     0.9034722 0.7910840      0.8611838 -2.691918      4.677829  
1 1 1 25 13 7  o 74.30420 0.8568313 55.29775       1.273292  55.70771       1.808252  54.89455       1.793256  0.5461884      1.713663  
1 1 1 25 13 8  o 30.22109 1.104893  9.277527       0.6595313 10.42073       0.9057987 7.987553       0.9621898 4.031685       2.209786  
1 1 1 25 13 9  o 27.20198 1.921872  8.132255       0.8139175 8.587912       0.9172050 6.444059       1.765464  4.098122       3.843745  
1 1 1 25 13 10 o 54.73599 1.047560  31.11046       1.037234  32.65636       1.245322  27.60885       1.874236  4.693771       2.095120  
1 1 1 25 13 11 o 30.92215 1.413588  9.289094       0.8446838 8.326282       1.045705  11.09684       1.432871  -4.379480      2.827177  
1 1 1 25 13 12 o 47.64032 1.053023  21.88570       0.8440194 21.11732       0.9541779 24.64896       1.809482  -3.521439      2.106047  
1 1 1 25 13 13 o 25.40628 1.747885  5.913892       0.6364387 5.643307       0.6845694 7.637701       1.727868  -3.479160      3.495769  
1 1 1 25 13 14 o 12.95975 3.443968  1.433079       1.165613  1.141859       1.442519  1.980935       1.978538  -2.582971      6.887937  
1 1 1 25 13 15 o 17.07560 2.141451  3.283370       0.6844528 4.561332       0.9492865 1.899647       0.9877860 7.970122       4.282902  
1 1 1 25 13 16 o 20.64095 1.608197  4.284667       0.6415318 6.181304       1.006408  2.986493       0.8326235 7.575718       3.216394  
1 1 1 25 13 17 o 27.51474 2.490803  8.077574       1.370676  8.077574       1.370676  ?              ?         ?              ?         
1 1 1 25 13 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 13 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 14 0  o 93.01180 1.533629  87.56572       2.512180  85.05190       4.848125  88.48845       2.937280  0.000000       0.000000  
1 1 1 25 14 1  o 66.62761 0.8914059 44.26100       1.174304  43.34525       1.540917  45.52961       1.813648  -1.629921      1.782812  
1 1 1 25 14 2  o 78.86207 0.8797598 62.10384       1.385966  65.46810       2.019260  59.10715       1.905763  4.028946       1.759520  
1 1 1 25 14 3  o 41.56873 1.147522  17.39963       0.9414666 16.70757       1.437890  17.91895       1.245589  -1.466789      2.295044  
1 1 1 25 14 4  o 62.37987 0.9082432 39.06611       1.123875  38.08520       1.689792  39.84422       1.505008  -1.418652      1.816486  
1 1 1 25 14 5  o 52.11210 0.9141293 27.24587       0.9346046 27.45041       1.211893  26.94569       1.468119  0.4990692      1.828259  
1 1 1 25 14 6  o 80.21703 0.8783423 64.40260       1.408334  63.38509       1.952634  65.50577       2.033178  -1.317131      1.756685  
1 1 1 25 14 7  o 14.97695 2.332335  2.387269       0.6948516 2.951192       0.9415871 1.712939       1.029643  4.241314       4.664670  
1 1 1 25 14 8  o 25.85349 1.384136  6.721719       0.7117693 6.724696       0.9579828 6.718052       1.063445  0.2787781E-01  2.768272  
1 1 1 25 14 9  o 48.53794 1.327871  24.34278       1.071338  24.89279       1.222239  22.51878       2.225772  2.588928       2.655742  
1 1 1 25 14 10 o 28.64605 1.383358  7.656446       0.6857515 7.110477       0.7798342 9.518446       1.440152  -4.075178      2.766715  
1 1 1 25 14 11 o 19.79780 1.983398  3.915909       0.7328627 3.769457       0.8821350 4.242188       1.316685  -1.033218      3.966795  
1 1 1 25 14 12 o 28.55369 1.451547  8.074398       0.6721128 7.947840       0.7526030 8.572945       1.493731  -0.8750572     2.903095  
1 1 1 25 14 13 o 15.28764 2.340789  2.664594       0.6017188 2.828717       0.6831774 2.096851       1.270646  2.789298       4.681578  
1 1 1 25 14 14 o 14.89755 2.875117  2.477724       0.8794085 2.388550       1.301203  2.552703       1.193153  -0.5181866     5.750235  
1 1 1 25 14 15 o 17.37136 2.180544  3.006870       0.7160941 2.479154       0.8773915 4.059715       1.239298  -4.472141      4.361088  
1 1 1 25 14 16 o 7.890339 2.569475  -0.6207137     0.8106592 -0.8411286     0.9418825 0.9138283E-02  1.592192  -3.305723      5.138949  
1 1 1 25 14 17 o 8.053534 2.430173  0.9979480E-01  0.6266033 0.7535363      1.198144  -0.1463220     0.7351512 3.302901       4.860346  
1 1 1 25 14 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 14 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 15 0  o 51.16721 1.424534  26.64495       1.263398  25.70057       2.481977  26.97523       1.467788  0.000000       0.000000  
1 1 1 25 15 1  o 88.87233 0.9885309 78.73010       1.737614  76.84215       2.280745  81.34192       2.682585  -2.514694      1.977062  
1 1 1 25 15 2  f 52.93354 0.9350250 27.54330       0.9731041 25.48368       1.247667  30.74189       1.554838  -4.953773      1.870050  
1 1 1 25 15 3  f 42.92139 0.9328551 18.44231       0.8006502 18.27969       1.120055  18.61224       1.144935  -0.3862114     1.865710  
1 1 1 25 15 4  f 97.52328 1.060991  95.57758       2.057418  92.37823       3.050088  98.24867       2.786941  -3.026619      2.121982  
1 1 1 25 15 5  o 65.06070 0.8313872 42.31804       1.080090  41.30365       1.479308  43.47624       1.580683  -1.664162      1.662774  
1 1 1 25 15 6  o 36.23709 0.9528049 13.14566       0.6902202 12.63667       0.9613317 13.68721       0.9916098 -1.447353      1.905610  
1 1 1 25 15 7  o 25.67309 1.228653  6.668995       0.6257797 7.201202       0.8563365 6.059087       0.9167182 2.231398       2.457306  
1 1 1 25 15 8  o 20.69500 1.728933  4.168207       0.6954131 4.966647       1.160579  3.720964       0.8686114 2.956322       3.457865  
1 1 1 25 15 9  o 9.010329 2.357829  0.5433330      0.6028808 -0.5439606E-01 0.8695405 1.096655       0.8366169 -3.068021      4.715657  
1 1 1 25 15 10 o 45.98439 1.099288  20.40699       0.8790464 19.58183       1.007994  23.02738       1.796275  -3.603092      2.198576  
1 1 1 25 15 11 o 26.84937 1.464450  6.831393       0.6667849 6.450447       0.7534388 8.207621       1.432060  -3.068483      2.928900  
1 1 1 25 15 12 o 39.90260 1.167062  16.02016       0.7983933 15.98390       0.9173133 16.13343       1.621383  -0.1118088E-01 2.334123  
1 1 1 25 15 13 o 34.44558 1.224946  11.75113       0.7235213 11.51322       0.8279340 12.51994       1.488336  -1.235058      2.449893  
1 1 1 25 15 14 o 28.39750 1.306920  6.342702       0.5796814 5.422653       0.6283093 11.60578       1.502755  -10.44870      2.613840  
1 1 1 25 15 15 o 16.16237 2.455861  2.768459       0.7502280 2.436149       0.9395713 3.353039       1.246179  -2.466099      4.911721  
1 1 1 25 15 16 o 15.31095 2.436280  2.845856       0.7412931 3.493003       0.9491568 1.833806       1.186963  5.586472       4.872560  
1 1 1 25 15 17 o 8.277570 2.552653  -0.4298430     0.8365489 1.026715       1.311699  -1.428451      1.086095  4.385109       5.105306  
1 1 1 25 15 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 16 0  o 11.25929 3.952821  1.780980       0.9974062 2.213645       1.821450  1.595682       1.192004  0.000000       0.000000  
1 1 1 25 16 1  o 52.53436 0.8682296 27.59719       0.9116016 28.42123       1.319689  26.84514       1.260730  1.497543       1.736459  
1 1 1 25 16 2  o 34.35504 1.260151  11.66743       0.8243235 12.35903       1.418117  11.31449       1.013052  1.493317       2.520302  
1 1 1 25 16 3  o 16.48132 2.076123  2.768719       0.6636971 2.222267       0.9044391 3.406331       0.9769706 -3.840040      4.152246  
1 1 1 25 16 4  o 45.64838 0.9674582 21.01352       0.8695422 21.73939       1.145200  20.02530       1.336218  1.889446       1.934916  
1 1 1 25 16 5  o 27.11591 1.235262  7.354723       0.6674055 7.160081       0.9006394 7.591787       0.9939526 -0.7881889     2.470525  
1 1 1 25 16 6  o 44.24205 0.8845680 19.58794       0.7800847 19.32885       1.057551  19.89717       1.155336  -0.6346283     1.769136  
1 1 1 25 16 7  o 34.58511 1.175986  12.09796       0.7780118 12.32411       0.9729823 11.69699       1.295580  0.9445229      2.351971  
1 1 1 25 16 8  o 44.47971 1.001023  19.77420       0.8864908 19.14594       1.190476  20.55619       1.328171  -1.570457      2.002047  
1 1 1 25 16 9  o 7.226686 2.255258  -0.2782483     0.6457562 0.4217944E-01  0.8309374 -0.7668785     1.026109  0.5800252      4.510515  
1 1 1 25 16 10 o 26.51997 1.551155  6.874603       0.7866585 6.334339       0.9633275 7.955998       1.362896  -2.943655      3.102310  
1 1 1 25 16 11 o 14.45157 2.599813  1.832529       0.6529425 1.461640       0.7344491 3.230836       1.426070  -5.484888      5.199627  
1 1 1 25 16 12 o 26.50150 2.186664  7.306437       0.7381840 7.326417       0.7861252 7.157449       2.146670  0.9422779      4.373329  
1 1 1 25 16 13 o 31.72345 1.346067  9.681479       0.7045547 9.298785       0.7898424 11.17196       1.558759  -2.665565      2.692133  
1 1 1 25 16 14 o 13.72425 2.419402  1.501037       0.5469707 1.126786       0.6011033 3.302654       1.318860  -6.962552      4.838804  
1 1 1 25 16 15 o 16.67756 2.613299  2.983200       0.8254392 2.570163       1.029650  3.726071       1.380869  -2.955155      5.226597  
1 1 1 25 16 16 o 11.33013 2.968853  1.372969       0.8896507 1.582598       1.093953  0.9635543      1.528812  0.8992634      5.937707  
1 1 1 25 16 17 o 10.25708 3.958179  0.000000       0.000000  ?              ?         1.082178       1.153027  ?              ?         
1 1 1 25 16 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 17 0  o 67.34773 1.408226  44.86757       1.658023  46.96192       3.292504  44.15602       1.919116  0.000000       0.000000  
1 1 1 25 17 1  o 50.42369 0.9941248 25.70893       0.9916306 27.61340       1.340491  23.40713       1.473711  4.178631       1.988250  
1 1 1 25 17 2  o 60.25161 0.9352056 36.27845       1.115619  36.91480       1.709711  35.80660       1.472236  0.9058228      1.870411  
1 1 1 25 17 3  o 32.10609 1.393362  10.36411       0.8929950 10.93214       1.250858  9.773700       1.275267  1.806295       2.786725  
1 1 1 25 17 4  o 40.78971 1.195335  16.54064       0.8924769 16.33443       1.062519  17.03471       1.644682  -0.8131409     2.390669  
1 1 1 25 17 5  o 78.38670 0.8922211 61.35502       1.393337  59.40817       1.877173  63.74356       2.079236  -2.750801      1.784442  
1 1 1 25 17 6  o 28.03540 1.208895  7.937517       0.6699294 8.230051       0.8919988 7.559000       1.014655  1.210972       2.417790  
1 1 1 25 17 7  o 17.74816 1.892131  3.370945       0.6233462 4.337389       0.8574364 2.287615       0.9078079 6.025032       3.784263  
1 1 1 25 17 8  o 24.95470 1.516527  6.119915       0.7325682 5.696418       0.9132973 6.883971       1.226730  -2.322721      3.033055  
1 1 1 25 17 9  o 23.33055 1.388712  5.473121       0.6357720 5.420826       0.8214142 5.551260       1.004079  -0.2432289     2.777425  
1 1 1 25 17 10 o 45.07430 0.8466390 20.38880       0.7625611 20.28871       1.055304  20.49817       1.103134  -0.2248459     1.693278  
1 1 1 25 17 11 o 20.68874 1.987346  3.943515       0.6621093 3.673532       0.7319387 5.159359       1.553267  -3.253216      3.974693  
1 1 1 25 17 12 o 31.89440 1.737370  8.244805       0.8982050 6.984293       0.9842924 14.51995       2.196153  -11.26623      3.474741  
1 1 1 25 17 13 o 14.44893 2.564514  1.962041       0.5962132 1.787634       0.6537036 2.824803       1.453934  -2.946617      5.129027  
1 1 1 25 17 14 o 12.67020 2.603522  1.664965       0.5757102 1.645556       0.6290451 1.765082       1.428666  -0.5715351     5.207045  
1 1 1 25 17 15 o 8.631649 2.575406  0.2427966      0.7807724 0.6785116      0.9623974 -0.5961530     1.335430  1.149030       5.150811  
1 1 1 25 17 16 o 12.57506 3.107579  1.753474       0.9251186 1.509999       1.137540  2.229053       1.589832  -1.981530      6.215159  
1 1 1 25 17 17 o 12.61099 4.400304  0.000000       0.000000  ?              ?         2.016369       1.367546  ?              ?         
1 1 1 25 17 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 18 0  f 27.71588 2.092842  7.649507       1.024600  8.711621       1.971406  7.256431       1.199303  0.000000       0.000000  
1 1 1 25 18 1  o 61.39263 1.066464  37.18113       1.231583  39.48739       2.173719  36.09077       1.494626  2.719646       2.132928  
1 1 1 25 18 2  o 58.78474 0.8886861 34.60142       1.044739  34.05366       1.467430  35.16445       1.487748  -0.9436150     1.777372  
1 1 1 25 18 3  o 43.56239 1.054103  19.28785       0.9003318 17.43307       1.378404  20.66794       1.189010  -3.726055      2.108206  
1 1 1 25 18 4  o 33.70639 1.337938  11.22954       0.8281068 10.97064       0.9858755 11.84992       1.526094  -1.249222      2.675875  
1 1 1 25 18 5  o 43.87148 0.9816797 18.68890       0.8332152 17.07898       1.035293  21.64901       1.403829  -5.174770      1.963359  
1 1 1 25 18 6  f 16.19010 2.124535  2.652596       0.6444403 2.396581       0.8072119 3.102573       1.070163  -2.050017      4.249071  
1 1 1 25 18 7  o 10.46345 2.527007  0.9997896      0.6545639 1.388944       0.9096033 0.5818287      0.9426683 2.375023       5.054014  
1 1 1 25 18 8  f 22.37005 1.430502  5.045482       0.6346043 5.071478       0.8456913 5.011977       0.9600857 0.1541348      2.861003  
1 1 1 25 18 9  o 24.99937 1.493537  6.729739       0.6800537 7.517054       0.8388272 5.219894       1.161622  4.675142       2.987074  
1 1 1 25 18 10 o 33.88656 1.166570  11.79705       0.7414494 12.25474       0.9134170 10.91291       1.269538  2.064465       2.333141  
1 1 1 25 18 11 o 14.20494 2.642589  1.906403       0.6683607 1.644469       0.7597222 2.803206       1.405747  -3.605474      5.285178  
1 1 1 25 18 12 o 21.02566 2.218096  4.999346       0.7579150 5.358985       0.8832099 3.994656       1.476206  3.909132       4.436192  
1 1 1 25 18 13 o 20.72683 2.229001  5.061779       0.7708425 5.794024       0.9292525 3.446185       1.380294  6.261744       4.458002  
1 1 1 25 18 14 o 7.681564 2.451914  -0.2969824     0.5850374 -0.3930430     0.6382158 0.2084469      1.463946  -4.210419      4.903828  
1 1 1 25 18 15 o 8.313057 2.583136  -0.1611670E-01 0.8174068 0.2812795      0.9989259 -0.6188068     1.422043  0.9265518E-01  5.166271  
1 1 1 25 18 16 o 9.973965 3.016501  0.5512247      1.051563  0.7812997      1.294282  0.1044006      1.803692  0.9922028E-02  6.033001  
1 1 1 25 18 17 o 24.74089 3.336306  0.000000       0.000000  ?              ?         7.024056       1.650864  ?              ?         
1 1 1 25 18 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 19 0  o 58.72071 1.452139  34.57822       1.703100  34.57822       1.703100  34.57822       1.703100  0.000000       0.000000  
1 1 1 25 19 1  o 49.05790 1.000820  23.96369       0.9749457 25.30387       1.485323  22.94920       1.292303  2.387051       2.001640  
1 1 1 25 19 2  o 20.06644 1.852482  3.985377       0.7307674 5.177566       1.107693  3.066634       0.9723973 5.242575       3.704963  
1 1 1 25 19 3  f 16.16715 2.215957  2.710662       0.6885394 2.434664       0.9309127 3.044020       1.023084  -1.853709      4.431914  
1 1 1 25 19 4  o 11.60991 2.523255  1.356469       0.7338935 2.145806       0.9220561 -0.7949885E-02 1.212272  5.320709       5.046509  
1 1 1 25 19 5  o 46.30953 0.9343323 21.31908       0.8542590 20.44011       1.112122  22.58409       1.334177  -2.294140      1.868665  
1 1 1 25 19 6  o 36.43887 1.106816  13.31662       0.8055526 12.38652       1.123553  14.30048       1.155568  -2.622524      2.213632  
1 1 1 25 19 7  o 44.52923 1.089729  19.33057       0.9441728 22.36397       1.565641  17.59688       1.183623  5.302811       2.179457  
1 1 1 25 19 8  o 11.19740 2.612152  1.229160       0.6882931 1.490135       0.9493106 0.9399129      0.9994075 1.607240       5.224304  
1 1 1 25 19 9  o 23.30796 1.478320  5.578001       0.6624636 5.826468       0.8403813 5.170187       1.076643  1.470673       2.956641  
1 1 1 25 19 10 o 24.77829 1.564309  6.006707       0.7006100 5.725787       0.8209728 6.759627       1.344037  -1.913136      3.128618  
1 1 1 25 19 11 o 11.36767 2.291952  1.402800       0.6003365 2.033510       0.7786599 0.4784243      0.9426638 4.905571       4.583903  
1 1 1 25 19 12 o 13.91982 2.897085  2.309256       0.7467189 2.554081       0.7882123 0.1658632      2.332203  3.725955       5.794169  
1 1 1 25 19 13 o 10.29660 2.928771  0.8394713      0.6757567 0.9852963      0.7057934 -0.7652243     2.341305  -1.076361      5.857543  
1 1 1 25 19 14 o 18.44368 2.388422  3.651457       0.6577247 3.641956       0.7252530 3.695467       1.560930  0.9075546      4.776845  
1 1 1 25 19 15 o 12.06097 2.684843  1.344924       0.6071481 1.073823       0.6766775 2.464480       1.375115  -4.361190      5.369685  
1 1 1 25 19 16 o 13.57587 3.144610  2.125668       0.9758199 1.505798       1.232830  3.165501       1.596741  -4.129837      6.289221  
1 1 1 25 19 17 o 11.18958 3.884284  0.000000       0.000000  ?              ?         1.518289       1.064447  ?              ?         
1 1 1 25 19 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 20 0  o 20.45385 3.233077  4.565526       1.019922  5.093011       2.023243  4.385814       1.180953  0.000000       0.000000  
1 1 1 25 20 1  o 43.13851 0.9781148 18.64130       0.8428264 18.49189       1.161013  18.80775       1.225470  -0.3610764     1.956230  
1 1 1 25 20 2  o 44.68637 1.076603  19.77377       0.9502674 21.57198       1.488256  18.53602       1.234735  3.373478       2.153205  
1 1 1 25 20 3  o 14.29091 2.366049  2.117254       0.7111531 3.153707       1.011940  1.105887       0.9996182 6.745392       4.732098  
1 1 1 25 20 4  o 35.38060 1.084259  12.61429       0.7593044 12.97716       1.012397  12.14772       1.147973  1.186668       2.168519  
1 1 1 25 20 5  o 64.37436 0.9490578 41.47450       1.196248  41.17747       1.539347  41.92739       1.900736  -0.5466080     1.898116  
1 1 1 25 20 6  o 92.57651 1.123114  85.92898       2.077281  83.72287       2.859690  88.39345       3.022503  -2.502327      2.246229  
1 1 1 25 20 7  o 48.73013 0.9978672 23.74149       0.9706239 22.03689       1.327468  25.69978       1.422827  -3.745975      1.995734  
1 1 1 25 20 8  o 38.61051 1.026197  14.96678       0.7781922 14.89049       1.008299  15.07917       1.223801  -0.2061768     2.052393  
1 1 1 25 20 9  o 20.72142 1.625356  4.407315       0.6546350 4.590359       0.8432169 4.129608       1.038613  1.174006       3.250711  
1 1 1 25 20 10 o 50.61948 1.002945  26.24450       0.9822484 27.86430       1.263410  23.76932       1.561765  4.107307       2.005891  
1 1 1 25 20 11 o 28.27641 1.294725  7.954387       0.7158023 7.473338       0.9090212 8.739478       1.161286  -2.154577      2.589450  
1 1 1 25 20 12 o 19.07711 1.499241  3.821707       0.5526854 4.652008       0.7546940 2.861378       0.8116398 4.716631       2.998482  
1 1 1 25 20 13 f 30.34112 1.400256  9.090714       0.7330529 8.809271       0.8396400 9.992935       1.503330  -1.624466      2.800512  
1 1 1 25 20 14 f 12.92294 2.691257  1.834292       0.6603013 1.844796       0.7428241 1.794737       1.441427  0.1161880      5.382513  
1 1 1 25 20 15 f 8.417515 2.600437  0.2213210      0.6689727 0.2967882      0.7332461 -0.1534172     1.633934  -1.905789      5.200874  
1 1 1 25 20 16 o 11.21960 3.557246  0.7719080      1.135105  0.7951434      1.193609  0.5521593      3.670704  -3.002432      7.114492  
1 1 1 25 20 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 21 0  o 19.34034 3.412776  4.350936       1.048813  4.458132       1.946107  4.307057       1.245101  0.000000       0.000000  
1 1 1 25 21 1  o 34.36204 1.219451  11.78095       0.8292089 11.37647       1.087940  12.34164       1.280904  -1.382385      2.438902  
1 1 1 25 21 2  o 41.84970 1.001336  17.50613       0.8352684 16.92828       1.128206  18.20706       1.242552  -1.516808      2.002672  
1 1 1 25 21 3  o 11.44332 2.557910  1.282602       0.6631887 0.9602251      0.9027544 1.660554       0.9774768 -2.373919      5.115819  
1 1 1 25 21 4  o 47.77372 1.006410  22.87370       0.9611218 22.33311       1.333767  23.45765       1.386212  -1.171410      2.012820  
1 1 1 25 21 5  o 41.76096 1.346850  16.85388       0.9478472 16.30168       1.072783  18.81902       2.023778  -2.879803      2.693700  
1 1 1 25 21 6  o 20.96537 1.925169  4.313174       0.7923929 5.674974       1.242542  3.379733       1.028722  5.421907       3.850339  
1 1 1 25 21 7  o 55.53053 0.9211421 31.08678       1.016734  32.52260       1.383824  29.40244       1.498808  2.824646       1.842284  
1 1 1 25 21 8  o 36.13626 1.063724  12.63429       0.7498000 11.00988       0.9416594 15.44841       1.239416  -6.083275      2.127448  
1 1 1 25 21 9  o 51.10710 0.9296551 26.30347       0.9377911 26.55195       1.233921  25.96367       1.442951  0.6173058      1.859310  
1 1 1 25 21 10 o 38.41751 1.032698  14.83973       0.7767438 14.76365       0.9999949 14.95545       1.233295  -0.1956062     2.065396  
1 1 1 25 21 11 o 34.91477 1.251745  12.66929       0.8504097 14.54852       1.140431  10.31548       1.276333  6.109577       2.503490  
1 1 1 25 21 12 o 32.69881 1.619327  10.56612       0.9845907 12.02512       1.799492  9.942693       1.176284  2.851131       3.238654  
1 1 1 25 21 13 o 9.530372 2.364576  0.8864624      0.5532196 0.9482701      0.7141480 0.7937148      0.8748187 0.1771221      4.729153  
1 1 1 25 21 14 o 13.60246 2.218106  2.642281       0.6671117 3.487919       0.7634075 -0.8972032E-01 1.372159  9.493850       4.436211  
1 1 1 25 21 15 o 15.30989 2.897452  2.481765       0.7639881 2.231930       0.8516276 3.511647       1.729090  -2.509022      5.794903  
1 1 1 25 21 16 o 11.48562 3.116337  1.400752       0.9409624 1.112524       1.127474  2.062254       1.708066  -2.475680      6.232674  
1 1 1 25 21 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 22 0  o 24.80921 2.242704  6.455379       1.001396  6.361692       1.742650  6.501567       1.223592  0.000000       0.000000  
1 1 1 25 22 1  o 26.55274 1.512456  7.047591       0.7927496 7.394274       1.236555  6.805674       1.032950  1.077126       3.024912  
1 1 1 25 22 2  o 38.66748 1.159469  15.15941       0.8714016 15.68546       1.119341  14.35013       1.388355  1.758675       2.318939  
1 1 1 25 22 3  o 49.71326 0.9693747 24.86090       0.9583341 25.60228       1.299607  23.97728       1.418802  1.646511       1.938749  
1 1 1 25 22 4  o 21.51002 1.770518  4.326107       0.7325488 3.386446       0.9006978 6.162215       1.259049  -6.383745      3.541036  
1 1 1 25 22 5  o 44.45950 1.067002  19.84960       0.9484992 19.62918       1.352902  20.06268       1.330149  -0.4905281     2.134004  
1 1 1 25 22 6  o 34.25423 1.315635  11.67755       0.8660558 12.28520       1.456977  11.34554       1.076976  1.305157       2.631270  
1 1 1 25 22 7  o 17.29373 2.468096  2.975728       0.8359437 1.799070       1.077935  4.751110       1.324076  -8.487395      4.936193  
1 1 1 25 22 8  o 21.84778 1.698755  5.149208       0.6944072 6.085845       0.8971919 3.749842       1.096643  5.410820       3.397509  
1 1 1 25 22 9  o 12.38139 2.525372  1.580819       0.6345901 1.467324       0.7815950 1.800357       1.087049  -1.276866      5.050744  
1 1 1 25 22 10 o 40.40770 1.052798  16.70020       0.8328012 17.90428       1.096936  15.06183       1.279560  3.563908       2.105595  
1 1 1 25 22 11 o 21.70752 1.659309  4.868859       0.7035828 5.091421       0.9156221 4.547963       1.099442  1.337673       3.318619  
1 1 1 25 22 12 o 21.81315 1.886536  4.914603       0.8021083 5.043055       1.292809  4.834209       1.022764  0.2885265      3.773072  
1 1 1 25 22 13 o 7.055259 2.153825  -0.1889670E-01 0.5457997 -0.6615082E-01 0.7080761 0.5028580E-01  0.8567582 -0.8969650     4.307651  
1 1 1 25 22 14 o 13.67937 2.682872  2.107851       0.6925970 2.041820       0.8006194 2.304217       1.380665  -0.3474045     5.365743  
1 1 1 25 22 15 o 12.20333 2.555346  1.999289       0.7421593 2.513133       0.8285248 -0.8710668E-01 1.669507  5.588201       5.110691  
1 1 1 25 22 16 o 9.060936 2.844384  0.1838155      0.9721298 0.1406335      1.178426  0.2757990      1.719910  -1.410829      5.688769  
1 1 1 25 22 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 23 0  o 77.75014 1.479573  59.85784       2.014202  62.70012       3.992647  58.88755       2.332806  0.000000       0.000000  
1 1 1 25 23 1  o 52.34384 0.9916520 27.06439       1.026022  24.94264       1.333850  30.13916       1.605703  -4.935371      1.983304  
1 1 1 25 23 2  o 12.20790 2.547280  1.546679       0.6651431 1.625308       0.9206954 1.460842       0.9619704 0.5156460      5.094559  
1 1 1 25 23 3  o 50.38017 1.079164  25.96943       1.043297  27.41299       1.324002  23.60489       1.694513  3.822948       2.158327  
1 1 1 25 23 4  o 23.67208 1.606431  5.862123       0.7318637 7.169608       0.9942259 4.315684       1.081267  6.044884       3.212862  
1 1 1 25 23 5  o 38.09344 1.016629  14.08615       0.7562296 12.49843       0.9524028 16.79505       1.244028  -5.600376      2.033257  
1 1 1 25 23 6  o 30.45256 1.351929  9.350775       0.8231998 9.120847       1.149882  9.592505       1.179026  -0.7677097     2.703858  
1 1 1 25 23 7  o 13.03652 2.689846  1.876184       0.8123205 2.603311       1.017221  0.5962710      1.349585  5.165742       5.379692  
1 1 1 25 23 8  o 11.03124 2.618930  1.122587       0.6656663 0.8573992      0.8336815 1.589048       1.105685  -2.700966      5.237859  
1 1 1 25 23 9  o 24.68449 1.528495  6.496653       0.7073956 7.333639       0.8977012 5.125486       1.148994  4.555508       3.056989  
1 1 1 25 23 10 o 31.64509 1.418830  11.00753       0.8203998 13.08737       1.041633  7.609368       1.331439  8.763552       2.837660  
1 1 1 25 23 11 o 44.62551 1.042421  20.10654       0.9297879 20.86693       1.312543  19.34062       1.317307  1.711613       2.084843  
1 1 1 25 23 12 o 35.59453 1.258503  12.94786       0.8894511 12.17149       1.314416  13.60367       1.208052  -2.060814      2.517005  
1 1 1 25 23 13 f 15.05829 2.093843  2.551109       0.6081112 3.288522       0.8280506 1.687791       0.8959560 5.509320       4.187686  
1 1 1 25 23 14 o 7.841784 2.273287  0.3489859      0.5694488 0.3822926      0.7814389 0.3112715      0.8315385 0.7335663E-02  4.546575  
1 1 1 25 23 15 o 13.54120 2.948078  2.274218       0.8129587 2.358112       0.9169402 1.965979       1.757604  1.472501       5.896156  
1 1 1 25 23 16 o 16.55431 3.014708  3.559835       1.002068  3.529140       1.352338  3.597211       1.492245  0.1635151      6.029417  
1 1 1 25 23 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25 24 0  f 9.160776 3.833610  0.9574739      1.203017  1.455599       1.752387  0.5134555      1.654478  0.000000       0.000000  
1 1 1 25 24 1  o 11.38039 2.541401  1.202719       0.7033554 2.012245       0.9939500 0.3907612      0.9954412 4.811252       5.082802  
1 1 1 25 24 2  o 29.07519 1.253614  8.474816       0.7272399 8.169232       0.9883858 8.835545       1.073869  -1.132885      2.507228  
1 1 1 25 24 3  o 15.49756 3.113286  1.929090       0.8082988 1.562413       0.8830969 3.822707       2.006839  -6.588243      6.226573  
1 1 1 25 24 4  o 30.64622 1.248297  9.512132       0.7567479 9.960972       1.013261  8.946011       1.137968  1.676504       2.496595  
1 1 1 25 24 5  o 26.10704 1.680928  7.226906       0.8296355 8.197977       1.063669  5.718471       1.325697  4.818789       3.361856  
1 1 1 25 24 6  o 15.14970 2.853896  2.469726       0.8648089 2.451857       1.402261  2.480694       1.098618  -0.9084606E-01 5.707792  
1 1 1 25 24 7  o 15.67384 3.028821  1.944765       0.8072672 1.453497       0.8882771 4.275570       1.934828  -7.846332      6.057642  
1 1 1 25 24 8  o 8.931677 2.519731  0.4646007      0.6610811 0.4890545      0.8297004 0.4220863      1.093995  -0.7078924     5.039462  
1 1 1 25 24 9  o 15.85134 2.556741  2.709448       0.7926996 2.456157       1.080006  3.005265       1.167152  -1.621112      5.113482  
1 1 1 25 24 10 o 11.84282 2.687051  1.282145       0.7984118 0.2779092      1.103104  2.387057       1.157078  -5.791380      5.374102  
1 1 1 25 24 11 o 29.00848 1.381545  8.236221       0.7653279 7.488572       0.9341263 9.762791       1.334794  -3.711740      2.763091  
1 1 1 25 24 12 o 14.75826 2.346982  2.494614       0.6749302 2.900779       0.8502424 1.802641       1.109778  3.943596       4.693965  
1 1 1 25 24 13 o 13.01871 2.486658  1.917145       0.6531855 1.836646       0.8436282 2.037631       1.032100  -0.5397797     4.973317  
1 1 1 25 24 14 o 28.02438 1.970363  8.249190       0.9210643 8.089082       1.045231  8.805532       1.948389  -0.1067753     3.940726  
1 1 1 25 24 15 o 21.25207 2.940844  5.386386       1.164386  4.762789       1.442838  6.550970       1.971742  -2.713760      5.881688  
1 1 1 25 24 16 o 8.623964 2.743050  -0.6165554E-01 0.9962844 -0.3868538     1.386459  0.2855434      1.432591  -1.032404      5.486101  
1 1 1 25 25 0  o 6.873652 3.172843  0.7884204E-01  0.9674724 -1.255024      2.055826  0.4582781      1.096477  0.000000       0.000000  
1 1 1 25 25 1  o 24.21099 1.488439  5.917097       0.7197037 6.218678       1.011494  5.607858       1.024255  1.263914       2.976879  
1 1 1 25 25 2  o 46.86315 1.147441  21.61493       1.012616  20.77223       1.227847  23.40688       1.790472  -2.726883      2.294882  
1 1 1 25 25 3  o 55.42653 0.9606953 30.85010       1.058543  30.98557       1.422872  30.68219       1.584082  0.2954102      1.921391  
1 1 1 25 25 4  o 42.89514 1.142212  18.56636       0.9761940 16.75426       1.383023  20.36553       1.378084  -4.210384      2.284423  
1 1 1 25 25 5  o 22.04314 1.739678  4.759268       0.7520789 3.746515       0.9699701 6.285938       1.190910  -5.690088      3.479356  
1 1 1 25 25 6  f 23.18369 1.864772  5.514804       0.8265154 5.591870       1.032567  5.377370       1.378897  0.5948048      3.729545  
1 1 1 25 25 7  o 41.86593 1.265589  17.41828       0.9665822 17.03188       1.145720  18.37235       1.800303  -1.429516      2.531178  
1 1 1 25 25 8  o 18.02662 2.511374  3.491546       0.7865484 3.547886       0.9184231 3.336525       1.523453  1.251854       5.022747  
1 1 1 25 25 9  o 30.62554 1.485661  10.41847       0.7064556 11.03562       0.7966511 8.146571       1.528501  4.996246       2.971321  
1 1 1 25 25 10 o 15.83712 2.271091  2.683297       0.6792902 2.735985       0.8483475 2.589160       1.133971  0.9515266      4.542182  
1 1 1 25 25 11 o 31.69921 1.249753  9.556009       0.6857014 8.962399       0.7814296 11.54331       1.429785  -3.783621      2.499506  
1 1 1 25 25 12 f 26.88440 1.259746  6.973835       0.5803358 6.636225       0.6599951 8.124639       1.218521  -2.489288      2.519492  
1 1 1 25 25 13 o 7.794682 2.307008  0.1477986      0.4645220 0.1394461E-01  0.5087592 0.8186375      1.138953  -4.124287      4.614015  
1 1 1 25 25 14 o 28.11688 1.902517  7.360857       0.6430033 7.081375       0.6741455 10.17793       2.140300  -3.484715      3.805035  
1 1 1 25 25 15 o 11.62022 3.119348  0.6325911      1.053601  -0.6909497     1.269486  3.562143       1.888686  -8.344191      6.238696  
1 1 1 25 25 16 o 8.072006 3.780132  0.000000       0.000000  ?              ?         -0.5186461     1.525464  ?              ?         
1 1 1 25 26 0  o 9.407125 3.638735  1.295192       0.9879357 0.4680648      1.879261  1.611082       1.161366  0.000000       0.000000  
1 1 1 25 26 1  o 35.01719 1.529529  12.11417       0.9513499 11.80672       1.107535  12.97950       1.858071  -1.504196      3.059057  
1 1 1 25 26 2  f 27.51243 1.425319  7.624653       0.7826071 7.398108       1.066426  7.889048       1.152077  -0.8719406     2.850638  
1 1 1 25 26 3  o 40.66016 1.207772  16.65756       0.9818536 16.11649       1.383787  17.20614       1.393363  -1.337833      2.415545  
1 1 1 25 26 4  o 14.31035 2.622674  2.185120       0.7533692 2.052591       1.010129  2.351241       1.130925  -0.9417591     5.245347  
1 1 1 25 26 5  o 9.989445 2.572690  0.8391907      0.6963074 1.264602       0.8991289 0.2017820      1.100592  2.278158       5.145379  
1 1 1 25 26 6  o 21.32165 1.955751  4.647637       0.8337537 4.506835       1.164414  4.795776       1.194368  -0.6651840     3.911501  
1 1 1 25 26 7  o 28.92072 1.640315  8.528811       0.8445298 8.557081       0.9917854 8.454244       1.610731  0.3975697      3.280630  
1 1 1 25 26 8  o 23.92279 2.169143  7.110409       0.6469039 7.587460       0.7047207 4.555748       1.630802  7.076603       4.338286  
1 1 1 25 26 9  o 12.00350 3.270978  0.4790955      0.6283128 0.2944349      0.6506662 3.028975       2.417858  -9.359911      6.541956  
1 1 1 25 26 10 o 22.02092 2.283153  5.722710       0.6853833 6.001374       0.7538903 4.395106       1.645517  4.643915       4.566307  
1 1 1 25 26 11 o 9.369188 2.609657  0.5326524      0.6999103 0.2490768      0.8745405 1.037901       1.167342  -2.723258      5.219313  
1 1 1 25 26 12 f 23.91924 1.533597  6.188279       0.6138291 6.427804       0.7070351 5.455214       1.236909  2.467939       3.067194  
1 1 1 25 26 13 o 22.86261 1.576609  4.885542       0.5758002 4.532447       0.6349677 6.519690       1.366003  -3.593801      3.153219  
1 1 1 25 26 14 o 23.99620 2.249234  5.231484       0.6539958 4.943465       0.6849813 8.200687       2.199317  -4.142139      4.498468  
1 1 1 25 26 15 o 10.42246 3.108061  0.7240673      1.116442  1.847654       1.738515  -0.6449889E-01 1.456445  3.463799       6.216123  
1 1 1 25 26 16 o 8.315062 3.791794  0.000000       0.000000  ?              ?         -0.5865537E-01 1.407012  ?              ?         
1 1 1 25 27 0  o 10.44730 3.932134  1.422024       1.113136  2.506750       1.806693  0.7583167      1.413230  0.000000       0.000000  
1 1 1 25 27 1  o 33.96358 1.231411  11.61442       0.8342999 11.46998       1.136536  11.78321       1.228590  -0.4403267     2.462822  
1 1 1 25 27 2  o 11.95017 2.671206  0.8605585      0.7629696 -0.3295485E-01 0.9187189 2.846397       1.369633  -8.507855      5.342412  
1 1 1 25 27 3  o 29.96001 1.423188  9.155061       0.8449285 10.13743       1.165707  8.067687       1.226423  3.470509       2.846375  
1 1 1 25 27 4  o 29.73776 1.388037  8.811441       0.8184077 7.949304       1.074580  10.00224       1.262899  -3.395960      2.776073  
1 1 1 25 27 5  o 11.34437 2.863993  1.177595       0.8210660 1.343304       1.214249  1.037997       1.114481  0.9951715      5.727987  
1 1 1 25 27 6  o 25.86515 1.439256  6.661197       0.6426389 6.550350       0.7384068 7.007321       1.304814  -0.7091675     2.878513  
1 1 1 25 27 7  o 46.67852 1.200114  21.72425       0.8950401 21.53673       0.9986799 22.48964       2.017658  -0.7309875     2.400228  
1 1 1 25 27 8  o 21.62810 1.886274  4.493992       0.6366397 4.313300       0.7007549 5.348083       1.523524  -1.960953      3.772548  
1 1 1 25 27 9  o 28.65962 1.344372  7.787998       0.6772859 7.233962       0.7768031 9.544277       1.383051  -3.776924      2.688744  
1 1 1 25 27 10 o 8.620502 2.545915  0.3540820      0.6598918 0.5582180      0.7396639 -0.4421217     1.460786  -0.4488468     5.091831  
1 1 1 25 27 11 o 34.03706 1.184358  12.01862       0.6958570 12.28348       0.8076527 11.25563       1.370816  1.761326       2.368716  
1 1 1 25 27 12 o 31.89521 1.376238  10.24417       0.8443398 9.564261       1.044398  11.52697       1.434561  -2.736021      2.752476  
1 1 1 25 27 13 o 15.09786 2.263204  3.222079       0.6441475 4.008013       0.7535624 1.089708       1.241246  9.086513       4.526407  
1 1 1 25 27 14 f 14.37457 3.490301  2.848951       1.200491  2.975576       1.466761  2.591999       2.089415  1.296702       6.980603  
1 1 1 25 27 15 o 11.43272 3.109383  1.126724       1.131148  2.943008       1.655853  -0.4624435     1.548869  6.046414       6.218767  
1 1 1 25 28 0  o 30.44265 2.170160  9.354216       1.154809  10.35362       2.247984  8.995925       1.345986  0.000000       0.000000  
1 1 1 25 28 1  o 40.85680 1.214908  16.92716       0.9871354 15.37727       1.425453  18.35534       1.368338  -3.658520      2.429815  
1 1 1 25 28 2  o 32.46396 1.423717  10.68716       0.9225786 10.19917       1.325561  11.14563       1.284838  -1.470001      2.847433  
1 1 1 25 28 3  o 26.94308 1.426582  7.352343       0.7676227 7.409134       1.059979  7.289712       1.113135  0.2379475      2.853163  
1 1 1 25 28 4  o 11.23718 2.925081  1.071538       0.8630747 1.325261       1.304654  0.8740945      1.150898  1.448933       5.850163  
1 1 1 25 28 5  o 6.350466 2.009868  -0.3790451     0.5467989 0.1674070      0.6245064 -2.174087      1.131874  1.037257       4.019736  
1 1 1 25 28 6  o 14.82545 2.348128  1.894769       0.6284108 1.276758       0.7261010 3.739145       1.254364  -7.706893      4.696256  
1 1 1 25 28 7  o 46.76283 0.9832991 23.18860       0.8667020 26.67816       1.113728  17.83053       1.380060  9.532185       1.966598  
1 1 1 25 28 8  o 57.10192 0.9928671 33.11262       1.041730  33.50254       1.251776  32.23427       1.878778  1.284523       1.985734  
1 1 1 25 28 9  o 14.22793 2.476441  2.249504       0.6192462 2.323829       0.6972248 1.971866       1.347545  1.607882       4.952881  
1 1 1 25 28 10 o 21.30625 1.829973  4.373021       0.6701823 4.075113       0.7610071 5.402376       1.414591  -2.644762      3.659947  
1 1 1 25 28 11 o 31.41254 1.295928  10.10887       0.7391171 10.07364       0.8780281 10.19456       1.369237  0.1615715      2.591855  
1 1 1 25 28 12 o 7.965857 2.371613  0.3170167      0.5930949 0.4961554      0.6732438 -0.3038391     1.253352  -0.2711329     4.743226  
1 1 1 25 28 13 o 17.10969 2.582085  3.608239       0.8686467 4.516915       1.147566  2.389024       1.329271  6.528179       5.164169  
1 1 1 25 28 14 o 9.017099 2.876589  -0.7882343E-02 1.098416  -0.7705992E-01 1.535581  0.6460099E-01  1.571843  -0.2622929     5.753178  
1 1 1 25 28 15 o 12.75403 3.312836  2.316295       1.188537  3.496757       1.680142  1.133856       1.681548  4.685677       6.625671  
1 1 1 25 29 0  o 11.41482 3.842844  2.071409       1.076767  0.7639139      2.203054  2.481788       1.234234  0.000000       0.000000  
1 1 1 25 29 1  o 24.30809 1.740226  6.007854       0.8414704 6.093457       1.260629  5.939062       1.130083  0.2695389      3.480451  
1 1 1 25 29 2  o 31.26177 1.811006  9.978187       1.127663  10.13690       1.534625  9.791903       1.662561  0.6004829      3.622012  
1 1 1 25 29 3  o 45.89188 1.088896  21.23301       0.9981900 21.72487       1.387908  20.70599       1.436662  1.121494       2.177793  
1 1 1 25 29 4  o 51.80130 1.002597  26.79239       0.9738209 26.39897       1.182391  27.62201       1.716993  -1.060764      2.005195  
1 1 1 25 29 5  o 9.950632 2.476032  0.9446621      0.6339300 1.300497       0.7498518 0.5321006E-01  1.186863  2.248834       4.952065  
1 1 1 25 29 6  o 27.60525 1.396484  7.250009       0.6844243 6.728760       0.7892987 8.829841       1.374119  -3.574030      2.792968  
1 1 1 25 29 7  o 16.92485 2.191644  2.863927       0.6430947 2.683330       0.7444084 3.395249       1.276836  -1.428350      4.383288  
1 1 1 25 29 8  o 11.41825 2.624464  1.431635       0.6836004 1.694072       0.8008898 0.7272775      1.312071  2.065743       5.248927  
1 1 1 25 29 9  o 17.32438 2.251074  3.237090       0.6910716 3.265267       0.8224233 3.169399       1.274707  0.9782753      4.502148  
1 1 1 25 29 10 o 9.205298 2.582813  0.3365298      0.6275565 0.4068740E-01  0.7184460 1.288901       1.289042  -4.650802      5.165627  
1 1 1 25 29 11 o 18.41095 2.052174  3.493626       0.6674522 3.235780       0.7826146 4.181486       1.278258  -1.626474      4.104348  
1 1 1 25 29 12 o 35.05515 1.332475  13.56940       0.7913364 14.47706       0.9242164 11.07607       1.531803  5.402813       2.664949  
1 1 1 25 29 13 o 29.68286 1.929279  8.444696       0.8188608 7.950256       0.8807286 11.59770       2.224067  -3.870646      3.858559  
1 1 1 25 29 14 f 13.64899 3.366745  2.528353       1.133420  2.734384       1.613532  2.327665       1.592473  0.9242964      6.733489  
1 1 1 25 30 0  f 6.876265 3.156426  0.5999769E-01  1.007431  -0.8292028     1.761690  0.4920813      1.228043  0.000000       0.000000  
1 1 1 25 30 1  o 45.20506 1.078764  20.48982       0.9726858 21.88124       1.441781  19.32751       1.317743  2.794865       2.157528  
1 1 1 25 30 2  o 21.26296 2.088548  4.979053       0.8045558 6.614504       1.101940  3.111828       1.177436  8.530760       4.177095  
1 1 1 25 30 3  o 34.92869 1.739620  12.56982       1.120119  12.12150       1.999928  12.77473       1.352085  -1.195824      3.479241  
1 1 1 25 30 4  o 44.68649 1.089370  20.36414       0.9222367 20.86028       1.142893  19.43808       1.561408  1.708378       2.178741  
1 1 1 25 30 5  o 22.71304 1.772705  5.576350       0.6944278 5.908390       0.8151671 4.697864       1.325925  2.909561       3.545409  
1 1 1 25 30 6  o 18.50101 2.455556  3.791819       0.7295332 3.906579       0.8270386 3.389398       1.548717  2.180206       4.911111  
1 1 1 25 30 7  o 12.51814 2.621080  1.539711       0.6219078 1.367674       0.7104814 2.103529       1.286207  -2.546955      5.242160  
1 1 1 25 30 8  o 30.64532 1.445025  9.981581       0.7823555 10.49145       0.9273501 8.722675       1.457174  3.149687       2.890050  
1 1 1 25 30 9  o 19.54323 2.161362  3.990460       0.7121516 3.914637       0.8226515 4.217199       1.422594  0.2145004E-01  4.322725  
1 1 1 25 30 10 o 24.24712 1.609837  6.130816       0.7046887 6.128071       0.8354005 6.137589       1.312084  0.4221191      3.219673  
1 1 1 25 30 11 o 10.69895 2.677721  1.117409       0.6302438 1.000852       0.7174512 1.511333       1.318950  -2.118689      5.355441  
1 1 1 25 30 12 o 18.37200 2.415848  4.186203       0.7504047 4.596566       0.8849137 3.135679       1.415857  5.110042       4.831697  
1 1 1 25 30 13 o 8.185235 2.744436  -0.7140969     0.7647117 -0.9355304     0.8222512 0.7039989      2.080826  -5.373603      5.488873  
1 1 1 25 30 14 o 16.85403 3.282557  4.015456       1.138159  4.489280       1.706077  3.635466       1.527833  1.663755       6.565114  
1 1 1 25 31 0  o 41.76916 1.806810  18.25437       1.328249  16.91400       2.491160  18.78677       1.570037  0.000000       0.000000  
1 1 1 25 31 1  o 48.90298 1.125092  24.00508       1.096461  25.59387       1.637252  22.71305       1.476445  2.899643       2.250184  
1 1 1 25 31 2  o 17.05701 2.687913  3.159749       0.8756363 3.120074       1.115506  3.223441       1.413373  -0.5092239E-01 5.375826  
1 1 1 25 31 3  o 11.13286 2.556329  1.303220       0.6252513 1.442156       0.7308033 0.9237482      1.207767  0.9032612      5.112659  
1 1 1 25 31 4  o 42.22131 1.159378  18.34510       0.8885261 18.82368       1.062582  17.23255       1.620121  2.064583       2.318757  
1 1 1 25 31 5  o 16.46550 2.562192  3.087656       0.7246626 3.269099       0.8281780 2.494892       1.496902  2.847478       5.124384  
1 1 1 25 31 6  o 65.08237 1.213106  41.69131       1.402308  40.24849       1.629517  45.81010       2.753195  -3.802559      2.426212  
1 1 1 25 31 7  o 18.47073 2.263455  3.741067       0.7172849 3.861641       0.8443595 3.428462       1.359560  1.897469       4.526910  
1 1 1 25 31 8  f 35.62630 1.512036  13.01469       1.077329  13.01442       1.529759  13.01495       1.517462  -0.8041382E-02 3.024072  
1 1 1 25 31 9  o 18.68510 2.181587  3.260450       0.7271521 2.637869       0.8382714 5.152903       1.461501  -6.201315      4.363174  
1 1 1 25 31 10 o 13.73977 2.586034  2.152104       0.6727489 2.100683       0.7909524 2.286614       1.279269  -0.7895660E-01 5.172068  
1 1 1 25 31 11 o 21.03891 2.005333  4.412747       0.6853933 4.142070       0.7630357 5.543414       1.559505  -2.149492      4.010666  
1 1 1 25 31 12 o 11.83670 2.866168  1.228192       0.7347719 0.7006215      0.8377357 2.987363       1.529752  -6.261845      5.732336  
1 1 1 25 31 13 o 10.40971 2.935948  1.091748       0.8895503 0.9801356      1.107224  1.294944       1.493958  -1.141268      5.871896  
1 1 1 25 31 14 o 13.06242 3.167310  2.115032       1.244950  -0.3559983     1.772227  4.522397       1.749248  -8.703487      6.334620  
1 1 1 25 32 0  o 55.30586 1.686502  29.72224       1.717786  34.76288       3.190945  27.66538       2.038351  0.000000       0.000000  
1 1 1 25 32 1  o 18.33745 2.194952  3.536907       0.7890671 3.399340       1.097661  3.684018       1.135100  -1.022041      4.389904  
1 1 1 25 32 2  o 24.32994 1.526726  5.595500       0.6852364 4.982247       0.8065125 7.187158       1.299320  -4.314785      3.053451  
1 1 1 25 32 3  o 26.92753 1.794151  7.618473       0.7869941 7.760706       0.8912090 7.114775       1.677118  1.574745       3.588302  
1 1 1 25 32 4  o 19.25556 2.036774  3.837428       0.6839054 3.773333       0.8048483 4.003927       1.297204  -0.1215935E-01 4.073548  
1 1 1 25 32 5  o 10.22341 2.647219  0.4100877      0.6584343 -0.9422960E-01 0.7519692 2.067427       1.363182  -6.940990      5.294439  
1 1 1 25 32 6  o 11.90635 2.747903  1.232541       0.7120358 0.7891861      0.8439591 2.327569       1.326351  -5.038033      5.495807  
1 1 1 25 32 7  o 16.98490 2.795973  3.233299       0.8066866 3.280586       0.9066548 3.053641       1.767233  1.608913       5.591945  
1 1 1 25 32 8  o 10.84010 2.720500  1.205033       0.7025683 1.339298       0.8143461 0.8141696      1.389439  0.4629774      5.440999  
1 1 1 25 32 9  o 30.61910 1.746771  10.00333       1.049428  12.00048       1.474400  7.952672       1.494027  6.631157       3.493542  
1 1 1 25 32 10 o 12.62856 2.950731  1.687136       0.7870905 1.426408       0.9166837 2.418684       1.535490  -2.807497      5.901461  
1 1 1 25 32 11 o 9.926538 2.808403  0.8096274      0.7631999 0.6770821      0.8894916 1.179519       1.485925  -2.181195      5.616807  
1 1 1 25 32 12 o 18.85111 2.813757  4.255408       0.9985887 3.770783       1.248612  5.115524       1.663424  -2.368614      5.627514  
1 1 1 25 32 13 o 6.651247 3.296361  0.000000       0.000000  ?              ?         -2.759276      1.647167  ?              ?         
1 1 1 25 33 0  o 9.414505 3.855105  1.247291       1.112603  0.9894024      2.062243  1.353175       1.321415  0.000000       0.000000  
1 1 1 25 33 1  o 20.19477 2.329941  4.345351       0.9120611 3.901033       1.322492  4.748357       1.259510  -2.436716      4.659883  
1 1 1 25 33 2  o 13.92057 2.523580  1.745326       0.6951843 1.017239       0.8316386 3.434237       1.266621  -7.599588      5.047160  
1 1 1 25 33 3  o 20.52150 1.801617  3.827497       0.6936799 2.785650       0.8291893 6.256848       1.266184  -8.179579      3.603233  
1 1 1 25 33 4  o 34.89468 1.273329  12.27111       0.8172110 12.09539       0.9767891 12.68100       1.491891  -0.5973930     2.546657  
1 1 1 25 33 5  o 24.85569 1.724570  6.274184       0.7779603 6.145875       0.9202336 6.595597       1.456465  -0.5732269     3.449140  
1 1 1 25 33 6  o 34.06542 1.485974  11.68032       0.8387532 11.51530       0.9477903 12.27631       1.801161  -0.6344566     2.971947  
1 1 1 25 33 7  o 10.79848 2.901626  1.059914       0.8345762 1.208022       0.9961938 0.7112654      1.528441  0.8725262E-01  5.803251  
1 1 1 25 33 8  o 30.97912 1.796350  9.781387       0.8488960 9.591889       0.9339005 10.68248       2.036495  -0.6246395     3.592701  
1 1 1 25 33 9  o 32.32635 1.470511  11.21498       0.8536461 11.72216       1.021499  10.04075       1.554298  3.100767       2.941022  
1 1 1 25 33 10 o 13.33904 2.984173  2.048150       0.8475496 1.728224       1.030216  2.718158       1.490882  -2.523047      5.968346  
1 1 1 25 33 11 o 18.74973 2.608637  4.871337       0.8450364 5.704281       0.9976650 2.756505       1.589698  8.887361       5.217275  
1 1 1 25 33 12 o 12.67612 2.665762  1.732339       0.8380215 0.3887891      1.114928  3.477118       1.270545  -8.149394      5.331524  
1 1 1 25 33 13 o 9.666679 2.991427  0.8568442E-01  1.186935  2.111258       1.772663  -1.560479      1.598044  4.790092       5.982854  
1 1 1 25 34 0  o 7.760679 3.575782  0.1190221      1.320704  -0.3859453     1.980320  0.5235366      1.772437  0.000000       0.000000  
1 1 1 25 34 1  o 33.43131 1.464769  11.00922       0.8220378 10.66698       0.9300550 12.23120       1.757419  -1.896042      2.929539  
1 1 1 25 34 2  o 33.88210 1.772551  12.14290       1.124490  12.76729       1.390751  10.96400       1.911002  2.990849       3.545101  
1 1 1 25 34 3  o 37.46319 1.215912  14.10542       0.8527189 13.85088       1.033414  14.64848       1.509458  -0.8589096     2.431824  
1 1 1 25 34 4  o 8.228970 2.476544  0.1551638      0.6536540 0.1355061      0.7710105 0.2053994      1.232533  -1.770691      4.953088  
1 1 1 25 34 5  o 24.41576 1.857785  6.382292       0.8168101 6.683251       0.9794914 5.695176       1.480006  2.365870       3.715569  
1 1 1 25 34 6  o 13.11965 2.564316  1.213528       0.7138395 0.3147987      0.8284740 3.803780       1.406486  -10.32418      5.128632  
1 1 1 25 34 7  o 23.55558 1.956752  6.112593       0.8308108 6.444120       1.001214  5.379575       1.488761  2.809561       3.913504  
1 1 1 25 34 8  o 17.57880 2.568257  3.631695       0.7678882 3.736408       0.8840036 3.309790       1.549946  2.524591       5.136514  
1 1 1 25 34 9  o 11.06921 3.163649  0.8909347      0.7702684 0.7279767      0.8223975 2.055475       2.198474  -4.426091      6.327297  
1 1 1 25 34 10 o 10.27716 2.585777  1.221457       0.7095458 1.611002       0.8164568 0.1935621E-01  1.434250  2.827456       5.171554  
1 1 1 25 34 11 o 15.15520 2.888033  2.949286       0.9065759 3.473530       1.288101  2.434713       1.276166  2.985649       5.776067  
1 1 1 25 34 12 o 9.463425 2.892508  0.6064774      0.8316035 1.371546       1.845489  0.4115465      0.9315402 2.958244       5.785016  
1 1 1 25 35 0  o 6.306171 3.084391  -0.9679108     1.153689  -0.2462498     1.938470  -1.363733      1.435631  0.000000       0.000000  
1 1 1 25 35 1  o 35.01338 2.072150  13.45839       0.9454469 13.68488       1.015100  11.97585       2.597088  3.572117       4.144300  
1 1 1 25 35 2  o 45.78838 1.141557  20.94830       0.9712082 20.40542       1.167143  22.17049       1.751222  -1.662422      2.283114  
1 1 1 25 35 3  f 34.71561 1.465166  12.20737       1.006570  11.49812       1.316209  13.20651       1.562201  -2.320221      2.930332  
1 1 1 25 35 4  o 21.47357 1.958323  4.753930       0.7594777 4.681581       0.8971544 4.936898       1.426720  -0.1949902     3.916646  
1 1 1 25 35 5  o 22.07490 2.003160  5.323457       0.7815124 5.534782       0.9261018 4.800703       1.456570  2.205746       4.006319  
1 1 1 25 35 6  o 19.14407 2.496213  4.572145       0.8377861 5.364758       1.023200  2.959862       1.459321  7.046770       4.992425  
1 1 1 25 35 7  o 20.83876 2.529116  6.036811       0.8281211 7.220499       0.9721622 2.906428       1.580953  11.21666       5.058233  
1 1 1 25 35 8  o 10.82955 2.447411  1.392173       0.7023624 2.038697       0.8259974 -0.2957010     1.334616  5.068101       4.894822  
1 1 1 25 35 9  o 14.43982 2.415599  3.149912       0.7791928 3.989325       0.8759263 -0.3325836E-01 1.705727  9.913342       4.831197  
1 1 1 25 35 10 o 12.41002 2.959099  1.686098       0.7854531 1.338826       0.9102819 2.698231       1.554031  -3.459674      5.918198  
1 1 1 25 35 11 o 11.54057 3.127846  1.375218       0.9454046 0.8679467      1.126995  2.580004       1.736827  -3.972656      6.255693  
1 1 1 25 36 0  o 15.88605 3.715307  3.503312       0.9169028 3.590286       1.003489  3.063568       2.256403  0.000000       0.000000  
1 1 1 25 36 1  o 13.70154 2.704509  2.075307       0.7384585 2.065877       0.8972781 2.095103       1.300003  0.4281998E-03  5.409019  
1 1 1 25 36 2  o 24.20929 2.230368  6.744514       0.8781717 7.282951       1.029555  5.306713       1.682410  4.954296       4.460735  
1 1 1 25 36 3  o 9.478954 2.671647  0.6827435      0.7317653 0.8842494      0.8566090 0.1386019      1.407650  0.1994295      5.343294  
1 1 1 25 36 4  o 7.961626 2.550426  -0.4454992     0.8597902 -0.6579627     1.110943  -0.1281743     1.357693  -1.576482      5.100852  
1 1 1 25 36 5  o 28.62252 1.795422  9.056638       0.9567645 10.01652       1.201435  7.392623       1.581863  5.005030       3.590843  
1 1 1 25 36 6  o 18.77634 2.519864  4.374222       0.7824129 4.761822       0.9075130 3.251867       1.544281  5.187479       5.039728  
1 1 1 25 36 7  o 11.47696 2.762356  1.539234       0.7441537 1.712940       0.8784479 1.097796       1.400374  1.316857       5.524712  
1 1 1 25 36 8  o 13.18196 2.635280  2.308496       0.7272571 2.642165       0.8206875 1.088244       1.569438  4.457073       5.270559  
1 1 1 25 36 9  o 19.95237 2.502210  4.038465       0.8385502 3.469958       0.9467466 6.107992       1.806347  -4.258602      5.004420  
1 1 1 25 36 10 o 16.27471 2.622931  3.363906       0.9161131 4.981257       1.268434  1.600294       1.324546  9.520344       5.245862  
1 1 1 25 36 11 o 20.67426 3.118938  5.042540       1.289634  5.042540       1.289634  ?              ?         ?              ?         
1 1 1 25 37 0  o 5.059939 2.539855  -1.199587      0.8866358 -1.504831      1.094813  -0.6178554     1.511393  0.000000       0.000000  
1 1 1 25 37 1  o 25.61261 1.771362  6.963177       0.8668717 7.121683       1.086971  6.686198       1.436874  1.211496       3.542723  
1 1 1 25 37 2  o 17.05273 2.508120  3.403694       0.8197302 3.862589       1.053525  2.699613       1.304968  3.976512       5.016239  
1 1 1 25 37 3  o 20.28105 2.548424  5.082406       0.8417325 5.543202       0.9792938 3.779101       1.646952  5.595676       5.096849  
1 1 1 25 37 4  o 27.53673 1.674139  8.092114       0.8525065 8.279694       1.035911  7.698498       1.500605  1.570539       3.348279  
1 1 1 25 37 5  o 10.47447 3.017958  0.7713498      1.019633  0.1843663      1.426766  1.384053       1.457690  -2.272617      6.035916  
1 1 1 25 37 6  o 10.86856 2.845453  1.301095       0.7721226 1.497495       0.8604637 0.4892492      1.749441  1.007712       5.690905  
1 1 1 25 37 7  o 8.970194 2.505622  0.3114190      0.8468534 1.444390       0.9685894 -3.365073      1.744806  4.369900       5.011243  
1 1 1 25 37 8  f 10.43722 2.962206  1.029529       0.8550953 0.9574195      0.9898822 1.241553       1.697378  -1.534991      5.924411  
1 1 1 25 37 9  o 22.29733 2.287742  5.949984       0.9289145 6.735237       1.195154  4.751810       1.476314  5.342257       4.575483  
1 1 1 25 37 10 o 10.71644 2.775365  1.099329       0.9570640 2.711233       1.304685  -0.7785606     1.408222  6.431726       5.550729  
1 1 1 25 38 0  o 30.86242 2.592338  10.32999       1.207572  10.29272       1.351759  10.47728       2.687114  0.000000       0.000000  
1 1 1 25 38 1  f 8.736290 2.604309  0.1551991      0.7678269 0.9610214      1.261540  -0.3189671     0.9677133 3.306516       5.208618  
1 1 1 25 38 2  o 25.78727 1.959091  7.655822       0.8936625 8.567998       1.088957  5.774353       1.563938  5.997189       3.918182  
1 1 1 25 38 3  o 19.33917 2.467277  4.872119       0.8144854 5.878363       0.9873801 2.729399       1.440839  8.856513       4.934553  
1 1 1 25 38 4  o 24.62603 2.117950  6.667674       0.9222772 6.734546       1.086057  6.494748       1.746489  1.465435       4.235899  
1 1 1 25 38 5  o 14.07127 2.857929  2.337402       0.8132954 2.144881       0.9983051 2.717344       1.402436  -1.243252      5.715858  
1 1 1 25 38 6  o 8.010469 2.671600  -0.2958027     0.8015401 -0.5559847E-01 0.8505120 -2.203285      2.396737  -1.986005      5.343200  
1 1 1 25 38 7  o 11.51663 3.176138  1.415909       1.020760  1.060539       1.272757  2.056574       1.708915  -2.383955      6.352276  
1 1 1 25 38 8  o 28.09790 1.837802  8.846666       0.9931973 9.664313       1.288913  7.651509       1.558309  4.063515       3.675604  
1 1 1 25 38 9  o 12.16571 2.840505  1.859826       0.9495398 3.211545       1.294071  0.2831700      1.397601  6.671487       5.681009  
1 1 1 25 39 0  o 8.271845 3.503386  1.003621       1.008218  1.013953       1.340551  0.9901647      1.529787  0.000000       0.000000  
1 1 1 25 39 1  o 25.38185 1.791320  7.231635       0.8505203 8.383935       1.094964  5.478848       1.350459  6.046562       3.582640  
1 1 1 25 39 2  o 9.809507 2.671106  0.9134620      0.7545435 1.202796       0.9630771 0.4535611      1.214210  1.306998       5.342212  
1 1 1 25 39 3  o 12.59468 3.156028  1.729281       0.9133297 1.436951       1.070935  2.509036       1.749062  -2.756135      6.312055  
1 1 1 25 39 4  o 10.80689 2.716509  1.340782       0.7658187 1.704125       0.9063512 0.4339840      1.431837  2.448721       5.433018  
1 1 1 25 39 5  o 12.68748 3.186103  1.831408       0.8940914 1.598790       1.018061  2.615866       1.869548  -2.314166      6.372206  
1 1 1 25 39 6  o 11.28868 3.349742  0.7863304      0.8752225 0.4958941      0.9325996 2.931166       2.534351  -5.777184      6.699485  
1 1 1 25 39 7  o 10.25452 2.942746  1.032448       0.9367858 1.187068       1.180842  0.7699028      1.538729  0.3086910      5.885492  
1 1 1 25 39 8  o 8.417154 2.852268  -1.035535      1.181997  0.4027562E-01  2.243926  -1.448674      1.390556  3.090571       5.704535  
1 1 1 25 40 0  o 7.467815 3.517337  0.1496285      1.310053  -1.128784      2.628637  0.5720917      1.511087  0.000000       0.000000  
1 1 1 25 40 1  o 11.23781 2.603600  1.446345       0.6990914 1.946273       0.9884064 0.9458958      0.9889229 3.023965       5.207201  
1 1 1 25 40 2  f 9.772565 2.790526  0.7541253      0.7913408 0.5281326      0.9559026 1.246323       1.410704  -2.378859      5.581053  
1 1 1 25 40 3  o 11.49169 2.921506  1.491110       0.7978718 1.344023       0.9460605 1.853433       1.484841  -1.506080      5.843011  
1 1 1 25 40 4  o 15.89659 2.993277  3.347573       0.8805906 3.484079       0.9729624 2.729333       2.070608  3.842454       5.986553  
1 1 1 25 40 5  o 8.687181 2.723673  0.2955262      0.8327566 0.6300891      0.9021473 -1.631721      2.165246  -0.1515408     5.447345  
1 1 1 25 40 6  o 11.62739 3.249641  1.549053       1.006413  1.601984       1.124351  1.335714       2.257269  -0.3351402     6.499282  
1 1 1 25 40 7  o 10.29554 3.970245  1.269484       1.159644  1.269484       1.159644  ?              ?         ?              ?         
1 1 1 25 41 0  o 7.278143 3.298486  0.5096673      1.046246  0.7533206      1.296034  0.5381041E-01  1.772738  0.000000       0.000000  
1 1 1 25 41 1  o 7.223075 2.428798  -0.8737820     0.8406532 -1.062799      1.664557  -0.8090656     0.9739916 1.876572       4.857595  
1 1 1 25 41 2  o 8.023586 2.399202  -0.7707912E-01 0.7399317 1.035583       1.051312  -1.169277      1.041599  3.804193       4.798403  
1 1 1 25 41 3  o 10.97902 2.916194  1.410755       0.8326581 1.520241       0.9711610 1.106917       1.617827  0.4469090      5.832387  
1 1 1 25 41 4  o 12.18447 3.110202  1.741727       0.9056622 1.470329       1.076835  2.397708       1.674139  -2.221054      6.220404  
1 1 1 25 41 5  o 14.42826 2.841588  2.947889       0.9390544 3.722807       1.150262  1.399349       1.626037  6.495770       5.683175  
1 1 1 25 41 6  o 19.32945 2.809241  5.196939       1.018625  5.988361       1.274155  3.795311       1.695642  7.129875       5.618482  
1 1 1 25 42 0  o 7.637247 3.658272  -0.8911250E-01 1.598922  -0.8536428     2.497654  0.4417695      2.081296  0.000000       0.000000  
1 1 1 25 42 1  o 7.303077 2.380297  -0.5079650     0.8148716 -0.8286862     1.156392  -0.1916315     1.148454  -0.8200507     4.760594  
1 1 1 25 42 2  o 9.893967 2.687963  0.9232663      0.7790989 0.3252664      1.069158  1.600343       1.137654  -3.083560      5.375926  
1 1 1 25 42 3  o 8.863117 2.765487  0.1887358      0.8997092 -0.1386570     1.094897  0.8694468      1.578775  -2.620914      5.530975  
1 1 1 25 42 4  o 12.21291 3.003880  2.091266       0.9110788 2.316350       1.126148  1.664843       1.550040  1.893543       6.007760  
1 1 1 25 42 5  o 12.43042 2.825284  2.120501       0.9932101 3.404446       1.261428  0.2608375E-01  1.611095  7.205350       5.650568  
1 1 1 25 43 0  o 24.48489 3.450607  8.025471       1.278487  8.660732       1.539357  6.612916       2.295438  0.000000       0.000000  
1 1 1 25 43 1  o 15.25214 2.710690  3.047234       0.8240924 3.054341       1.228909  3.041427       1.110892  -0.3243294     5.421381  
1 1 1 25 43 2  o 10.65947 2.747235  0.2087649      0.9510921 3.456980       1.542721  -1.782717      1.207962  9.317971       5.494470  
1 1 1 25 43 3  o 14.19068 2.916510  3.010596       0.9428964 3.544405       1.129665  1.784564       1.712016  5.407709       5.833019  
1 1 1 26 0  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 0  1  o 26.51434 1.928460  7.091084       1.007810  5.435383       1.359419  9.111494       1.501696  0.000000       0.000000  
1 1 1 26 0  2  o 34.38734 2.154636  11.97622       1.469857  11.97622       1.469857  11.97622       1.469857  0.000000       0.000000  
1 1 1 26 0  3  o 9.298830 3.777513  1.130400       1.087505  1.385717       1.294229  0.5171199      2.005858  0.000000       0.000000  
1 1 1 26 0  4  o 23.23055 3.718664  7.573223       1.140946  8.501966       1.294283  4.335512       2.416575  0.000000       0.000000  
1 1 1 26 0  5  o 8.531052 5.242564  0.6525933      1.690474  0.6525933      1.690474  0.6525933      1.690474  0.000000       0.000000  
1 1 1 26 0  6  o 13.13832 3.716213  2.560725       1.049816  3.158868       1.302293  1.450655       1.774115  0.000000       0.000000  
1 1 1 26 0  7  o 45.72101 1.361791  20.49135       0.9159322 20.22828       0.9986206 21.88548       2.298836  0.000000       0.000000  
1 1 1 26 0  8  o 60.82373 1.915313  36.52211       2.268141  41.19661       3.694487  33.69455       2.873378  0.000000       0.000000  
1 1 1 26 0  9  o 12.16739 6.794280  2.134573       2.434637  2.134573       2.434637  2.134573       2.434637  0.000000       0.000000  
1 1 1 26 0  10 o 24.70410 3.920055  7.625808       1.589760  5.300895       2.512366  9.178352       2.053061  0.000000       0.000000  
1 1 1 26 0  11 o 63.20564 1.881975  40.39383       2.363177  40.87210       3.484118  39.98632       3.216030  0.000000       0.000000  
1 1 1 26 0  12 o 23.28815 3.774261  6.208256       1.500098  7.113822       2.418801  5.642251       1.912274  0.000000       0.000000  
1 1 1 26 0  13 o 46.87513 2.067095  22.59070       1.911946  20.15241       2.713281  24.99555       2.694615  0.000000       0.000000  
1 1 1 26 0  14 o 29.59693 3.076474  9.529533       1.645646  9.655477       2.721256  9.456919       2.066293  0.000000       0.000000  
1 1 1 26 0  15 o 12.24771 4.510063  1.811397       1.457465  4.221295       2.547198  0.6383675      1.777124  0.000000       0.000000  
1 1 1 26 0  16 o 11.48111 4.773704  1.886126       1.577762  2.193654       3.471948  1.806091       1.771210  0.000000       0.000000  
1 1 1 26 0  17 o 10.08501 4.422038  0.9629607      1.639428  3.056752       2.894140  -0.2635228E-01 1.989389  0.000000       0.000000  
1 1 1 26 0  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 0  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 1  0  o 66.90440 1.203041  44.86702       1.606262  45.15820       2.320278  44.59905       2.225857  0.000000       0.000000  
1 1 1 26 1  1  o 49.16628 1.048980  23.88412       1.024536  20.76645       1.366168  27.89093       1.548776  -7.239090      2.097959  
1 1 1 26 1  2  o 86.70004 1.066036  75.07132       1.846321  71.20670       2.539827  79.40229       2.688713  -4.721169      2.132071  
1 1 1 26 1  3  o 51.41298 0.8850856 26.39840       0.9091172 24.90392       1.255053  28.04824       1.318677  -3.055996      1.770171  
1 1 1 26 1  4  o 28.28962 1.504132  7.952095       0.8424683 9.705619       1.250900  6.496457       1.139708  5.666157       3.008263  
1 1 1 26 1  5  o 42.78806 2.348852  0.000000       0.000000  ?              ?         18.36331       2.010056  ?              ?         
1 1 1 26 1  6  o 27.10307 1.508839  7.367219       0.8171123 6.941397       1.145735  7.807984       1.165665  -1.597256      3.017678  
1 1 1 26 1  7  o 56.89964 0.8471634 32.62833       0.9227304 31.68027       1.536365  33.16326       1.154055  -1.323578      1.694327  
1 1 1 26 1  8  o 11.36177 4.431096  0.000000       0.000000  ?              ?         0.8243831      1.452969  ?              ?         
1 1 1 26 1  9  o 41.14650 2.388155  17.15778       1.962425  16.49929       2.688101  17.90920       2.871547  -1.670509      4.776310  
1 1 1 26 1  10 o 29.67019 2.764437  0.000000       0.000000  ?              ?         8.905258       1.640427  ?              ?         
1 1 1 26 1  11 o 56.82555 1.917222  32.51719       2.178944  32.51719       2.178944  ?              ?         ?              ?         
1 1 1 26 1  12 o 44.40451 1.436918  19.93172       1.274955  21.07720       1.816656  18.81992       1.789762  2.534508       2.873836  
1 1 1 26 1  13 o 22.16308 2.547117  5.182953       1.096812  4.502222       1.538907  5.885745       1.563643  -3.423264      5.094233  
1 1 1 26 1  14 o 16.30841 3.180278  2.925624       1.085289  2.240302       1.479780  3.723343       1.596521  -3.884215      6.360556  
1 1 1 26 1  15 o 43.24496 2.222227  19.19207       1.922002  19.19207       1.922002  ?              ?         ?              ?         
1 1 1 26 1  16 o 18.32269 3.121981  3.823388       1.128742  3.600894       1.525169  4.092825       1.678370  -1.113441      6.243963  
1 1 1 26 1  17 o 15.62410 3.553001  3.123781       1.262850  3.456844       1.821776  2.815694       1.752137  1.444885       7.106003  
1 1 1 26 1  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 1  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 2  0  o 15.19274 2.599183  2.939673       0.9862797 -0.2862436     1.412998  6.004683       1.377307  0.000000       0.000000  
1 1 1 26 2  1  o 77.93169 0.8798797 60.62799       1.369430  63.53624       2.003664  58.07862       1.875969  3.497887       1.759759  
1 1 1 26 2  2  o 59.86318 0.9858053 35.26345       1.170066  30.24730       1.547012  41.96863       1.788602  -9.782219      1.971611  
1 1 1 26 2  3  o 32.65871 1.150642  10.73569       0.7473804 9.618988       1.071134  11.79515       1.043326  -3.332752      2.301284  
1 1 1 26 2  4  o 50.64546 1.055163  25.45211       1.064071  28.53891       1.593541  22.96831       1.429445  5.493507       2.110326  
1 1 1 26 2  5  o 92.08230 1.548584  0.000000       0.000000  ?              ?         84.90353       2.851943  ?              ?         
1 1 1 26 2  6  o 37.32073 1.056948  14.27168       0.7679296 12.23572       1.178247  15.77521       1.012527  -4.750317      2.113896  
1 1 1 26 2  7  o 15.70622 1.833799  2.645357       0.5106611 2.224880       0.8982064 2.846180       0.6207440 -2.276839      3.667598  
1 1 1 26 2  8  o 54.16644 1.329167  29.33665       1.434825  28.21415       1.935074  30.70747       2.138428  -2.281719      2.658335  
1 1 1 26 2  9  o 70.39854 1.915520  48.91136       2.654625  43.93974       3.406905  56.59458       4.235281  -8.831978      3.831041  
1 1 1 26 2  10 o 56.02773 1.943280  0.000000       0.000000  ?              ?         31.57185       2.177552  ?              ?         
1 1 1 26 2  11 o 19.65368 5.050929  4.202081       1.995889  4.202081       1.995889  ?              ?         ?              ?         
1 1 1 26 2  12 o 22.00940 2.361976  4.844571       1.023989  4.150023       1.317464  5.904402       1.627444  -3.847338      4.723951  
1 1 1 26 2  13 o 59.53067 1.394720  35.88346       1.654745  39.80751       2.364080  32.11429       2.316957  6.447422       2.789440  
1 1 1 26 2  14 o 18.43756 3.184464  3.794146       1.168295  3.243658       1.611517  4.403987       1.696168  -2.895782      6.368927  
1 1 1 26 2  15 o 23.52949 2.567771  5.908895       1.162194  4.640011       1.558745  7.497302       1.743994  -6.200386      5.135543  
1 1 1 26 2  16 o 16.35403 3.137390  2.808010       1.133772  1.286702       1.488121  4.912870       1.750415  -8.891018      6.274779  
1 1 1 26 2  17 o 12.94841 3.420675  1.829254       1.271189  2.813921       1.715506  0.6302379      1.893042  3.938147       6.841350  
1 1 1 26 2  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 2  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 3  0  o 33.63562 1.590985  11.54360       1.053439  10.30075       1.510251  12.72131       1.470134  0.000000       0.000000  
1 1 1 26 3  1  o 50.24454 1.121156  24.68630       1.046839  23.74328       1.254010  26.85431       1.901395  -3.072338      2.242313  
1 1 1 26 3  2  o 87.28039 1.083610  76.22926       1.891102  77.82483       2.710895  74.71674       2.639383  1.777939       2.167219  
1 1 1 26 3  3  o 78.11710 0.8864124 61.06828       1.384677  61.11090       1.975521  61.02710       1.941383  0.5261230E-01  1.772825  
1 1 1 26 3  4  o 47.02912 1.093169  22.07566       1.025903  20.11408       1.411660  24.27124       1.493488  -4.416595      2.186337  
1 1 1 26 3  5  o 16.42262 2.804632  1.770359       0.7145829 4.963080       1.923119  1.258935       0.7696905 10.64982       5.609264  
1 1 1 26 3  6  o 15.71680 2.152052  2.423623       0.6538960 3.183966       1.054761  1.948973       0.8333667 4.143933       4.304104  
1 1 1 26 3  7  o 23.80861 1.530309  5.279069       0.5947119 6.427262       1.353583  5.004403       0.6620339 2.921064       3.060617  
1 1 1 26 3  8  o 32.86198 1.609613  10.98969       0.8973368 11.10962       1.029305  10.60987       1.831741  0.8534660      3.219226  
1 1 1 26 3  9  o 71.22208 3.049720  0.000000       0.000000  ?              ?         51.38689       4.344148  ?              ?         
1 1 1 26 3  10 o 52.90836 2.578769  28.28004       2.728769  28.28004       2.728769  ?              ?         ?              ?         
1 1 1 26 3  11 o 21.48220 3.049070  5.238216       1.246159  3.358485       1.955491  6.523561       1.617029  -7.614443      6.098141  
1 1 1 26 3  12 o 29.72034 1.824019  8.923336       1.072478  8.547833       1.404440  9.448616       1.661085  -1.425833      3.648038  
1 1 1 26 3  13 o 28.33217 2.625634  8.197293       1.487799  8.197293       1.487799  ?              ?         ?              ?         
1 1 1 26 3  14 o 12.37826 3.182601  1.377754       1.048482  2.030694       1.490337  0.7378971      1.475331  2.916758       6.365202  
1 1 1 26 3  15 o 16.39114 3.278388  3.030966       1.110628  2.677497       1.447756  3.536474       1.731345  -2.103621      6.556775  
1 1 1 26 3  16 o 10.16940 2.982622  0.3781473      1.042423  1.107945       1.393697  -0.5485676     1.570508  2.322685       5.965245  
1 1 1 26 3  17 o 15.05281 4.280371  2.823660       2.016064  3.641730       2.733026  1.847113       2.986036  2.349303       8.560742  
1 1 1 26 3  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 3  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 4  0  o 103.1467 1.739064  107.5066       3.448622  109.7139       4.350272  103.7734       5.657526  0.000000       0.000000  
1 1 1 26 4  1  o 60.89192 1.184383  37.24102       1.415804  37.74090       1.841129  36.51769       2.214739  1.018932       2.368766  
1 1 1 26 4  2  o 60.58538 0.8835263 36.73762       1.070382  35.93959       1.513982  37.53515       1.513517  -1.316795      1.767053  
1 1 1 26 4  3  o 24.13860 1.603032  5.817343       0.7678393 5.659295       1.017794  6.026117       1.169777  -0.7514744     3.206063  
1 1 1 26 4  4  o 85.16420 1.055552  71.10370       1.589622  75.84177       3.127541  69.45336       1.845821  3.703033       2.111105  
1 1 1 26 4  5  o 48.22109 1.137875  0.000000       0.000000  ?              ?         23.27003       1.097392  ?              ?         
1 1 1 26 4  6  o 43.65497 1.096240  18.26757       0.8983580 21.46108       1.624465  16.86061       1.078242  5.238262       2.192480  
1 1 1 26 4  7  o 49.32764 0.9199963 24.19745       0.9016970 25.82297       1.371363  22.95947       1.196776  2.892063       1.839993  
1 1 1 26 4  8  o 9.966005 2.703700  0.6940230      0.7433475 0.7527518      0.9501683 0.6013719      1.193441  -0.3434896     5.407400  
1 1 1 26 4  9  o 103.4305 3.215885  0.000000       0.000000  ?              ?         108.5493       6.652413  ?              ?         
1 1 1 26 4  10 f 100.8630 2.868922  103.0510       5.787363  103.0510       5.787363  ?              ?         ?              ?         
1 1 1 26 4  11 o 12.33068 3.410899  1.013463       1.193537  1.251304       1.925021  0.8649378      1.521220  1.647705       6.821798  
1 1 1 26 4  12 o 8.036356 2.614294  -0.9013728     0.9588869 -0.6185945     1.253818  -1.299789      1.488264  -0.1263523E-01 5.228588  
1 1 1 26 4  13 o 26.79123 2.155607  7.515136       1.129410  8.215830       1.498216  6.592842       1.718879  3.131958       4.311213  
1 1 1 26 4  14 o 30.52425 1.967142  9.906420       1.161101  11.77682       1.569784  7.647071       1.725300  6.850264       3.934284  
1 1 1 26 4  15 f 11.64997 3.041463  0.7895676      1.028513  -0.4365253     1.351543  2.476555       1.585346  -6.336825      6.082927  
1 1 1 26 4  16 o 14.19600 3.344275  2.273330       1.128153  2.664176       1.478820  1.729192       1.744888  2.061472       6.688551  
1 1 1 26 4  17 o 14.86628 4.124065  2.634747       1.939384  4.128220       2.540152  0.5474438      3.002988  4.595484       8.248131  
1 1 1 26 4  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 4  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 5  0  f 32.68528 2.058066  10.72740       1.273300  10.17325       1.577252  11.76434       2.157568  0.000000       0.000000  
1 1 1 26 5  1  o 85.74314 1.053007  73.56772       1.802801  73.11852       2.476004  74.07455       2.630054  -0.5520935     2.106015  
1 1 1 26 5  2  o 15.38897 2.659781  2.458108       0.8267115 1.731035       1.142870  3.256115       1.197323  -4.600650      5.319562  
1 1 1 26 5  3  o 77.09167 0.8984531 58.27103       1.321838  63.44914       2.276268  55.63647       1.623651  5.046906       1.796906  
1 1 1 26 5  4  o 60.43646 0.8099799 37.06625       0.9619733 33.24181       1.457853  40.01565       1.280255  -5.609314      1.619960  
1 1 1 26 5  5  o 55.86835 0.8728608 31.51289       0.9499409 29.99206       1.507204  32.51515       1.223554  -2.268372      1.745722  
1 1 1 26 5  6  o 42.84414 0.9146590 18.48705       0.7409570 18.04760       1.268290  18.71476       0.9129614 -0.7959099     1.829318  
1 1 1 26 5  7  o 46.61270 0.9002002 21.42067       0.8320346 24.48525       1.282856  19.19551       1.093134  5.662991       1.800400  
1 1 1 26 5  8  o 78.48500 1.181558  61.65262       1.824078  62.60677       2.860526  60.99878       2.367985  0.9764633      2.363116  
1 1 1 26 5  9  o 48.17875 2.131466  0.000000       0.000000  ?              ?         23.36400       2.053828  ?              ?         
1 1 1 26 5  10 o 47.34291 1.816522  22.03923       1.688597  19.62399       2.152504  25.90403       2.722868  -6.513325      3.633044  
1 1 1 26 5  11 o 33.31453 1.986531  10.91964       1.300004  13.37587       2.092266  9.375105       1.659136  5.874125       3.973063  
1 1 1 26 5  12 o 15.25774 3.094006  2.549200       0.9998424 2.873985       1.323319  2.117146       1.526282  2.001163       6.188012  
1 1 1 26 5  13 f 29.23531 1.907318  8.759492       1.088114  8.820584       1.397611  8.665469       1.733828  0.4073029      3.814635  
1 1 1 26 5  14 o 20.70175 2.663644  4.390674       1.059651  3.342126       1.353806  6.049105       1.702593  -6.570776      5.327289  
1 1 1 26 5  15 o 15.34075 3.241160  2.468246       1.064354  1.740501       1.342300  3.700721       1.746823  -5.047360      6.482320  
1 1 1 26 5  16 o 24.96707 2.414395  6.569379       1.194923  5.685738       1.574422  7.769893       1.835130  -3.895926      4.828790  
1 1 1 26 5  17 o 15.53385 4.366843  2.723138       2.032671  1.240807       2.596910  5.067771       3.266042  -5.421447      8.733685  
1 1 1 26 5  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 5  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 6  0  o 74.94829 1.466820  54.35800       2.017054  61.40810       3.766910  51.52399       2.388300  0.000000       0.000000  
1 1 1 26 6  1  o 51.30236 0.9917347 26.15032       0.9941506 27.23393       1.600067  25.46899       1.268764  1.709106       1.983469  
1 1 1 26 6  2  o 154.5578 1.490692  239.4849       4.563554  238.7330       6.947155  240.0556       6.052606  -0.4733124     2.981384  
1 1 1 26 6  3  o 117.7259 1.332089  140.3232       3.008116  133.4523       4.957032  144.3284       3.784625  -4.673355      2.664178  
1 1 1 26 6  4  o 32.74568 1.068350  10.49879       0.6827359 11.79171       1.117929  9.729718       0.8622030 3.138176       2.136699  
1 1 1 26 6  5  o 41.40960 0.9285268 17.15703       0.7489267 17.20535       1.205401  17.12665       0.9557933 0.8488846E-01  1.857054  
1 1 1 26 6  6  o 19.35975 1.602159  3.533115       0.5947361 4.601318       1.037610  3.010466       0.7257921 4.079819       3.204318  
1 1 1 26 6  7  o 63.79725 0.8894963 40.52232       1.126980  42.68917       1.715287  38.87646       1.494923  2.975334       1.778993  
1 1 1 26 6  8  o 21.33683 1.877987  4.600050       0.7956993 4.661584       1.067781  4.523210       1.193216  0.3447361      3.755975  
1 1 1 26 6  9  o 20.45744 1.978536  4.253630       0.8028359 4.889482       1.137736  3.623014       1.133042  3.094418       3.957072  
1 1 1 26 6  10 o 43.23154 1.921618  18.84562       1.628910  18.53645       2.098184  19.31464       2.584297  -0.7886848     3.843237  
1 1 1 26 6  11 o 39.31432 1.545994  15.63694       1.153588  15.66181       1.423922  15.58945       1.967825  0.2267151      3.091989  
1 1 1 26 6  12 o 34.77069 1.760734  12.65037       1.143884  13.35616       1.412445  11.30520       1.949954  3.142899       3.521468  
1 1 1 26 6  13 o 19.07131 2.993881  4.180936       1.111566  4.964458       1.405630  2.873071       1.816044  5.702272       5.987761  
1 1 1 26 6  14 o 41.01015 1.673682  17.10077       1.353993  16.61543       1.763911  17.79694       2.112582  -1.273514      3.347364  
1 1 1 26 6  15 o 13.97816 3.222984  2.178269       1.061826  2.652982       1.367222  1.456766       1.685552  2.690933       6.445967  
1 1 1 26 6  16 o 13.76379 3.315521  2.149310       1.151756  2.849595       1.490973  1.113058       1.813697  3.611505       6.631043  
1 1 1 26 6  17 o 13.83169 4.041393  1.819352       1.924223  3.307634       2.618497  0.7212941E-01  2.837160  3.820813       8.082786  
1 1 1 26 6  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 6  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 7  0  o 19.10859 3.098445  4.610228       0.9744486 2.911902       1.517922  5.800778       1.270905  0.000000       0.000000  
1 1 1 26 7  1  o 82.88304 0.9142676 68.60533       1.476498  69.39539       2.379271  68.11051       1.882922  0.7597275      1.828535  
1 1 1 26 7  2  o 91.38084 1.016219  83.46954       1.842283  84.51817       2.796313  82.66531       2.448881  1.001587       2.032439  
1 1 1 26 7  3  o 56.36175 0.9791773 30.86026       1.031095  34.39967       1.863420  29.29833       1.237870  4.503643       1.958355  
1 1 1 26 7  4  o 8.666651 2.381464  0.4782063      0.5844712 0.1986043      0.9814580 0.6318514      0.7275465 -0.2435780     4.762929  
1 1 1 26 7  5  o 25.97400 1.290594  6.913713       0.6418782 6.196318       1.043303  7.350642       0.8142123 -2.235636      2.581188  
1 1 1 26 7  6  o 43.88378 0.8789088 19.04521       0.7479698 20.23829       1.233917  18.35215       0.9404507 2.133320       1.757818  
1 1 1 26 7  7  o 19.00404 1.569106  3.603154       0.5665880 3.708136       0.9724667 3.549204       0.6971352 0.3898430      3.138211  
1 1 1 26 7  8  o 76.48421 1.020408  58.66412       1.559908  61.37526       2.215131  55.99703       2.197066  3.514229       2.040817  
1 1 1 26 7  9  o 65.85441 1.330238  45.25811       1.638040  38.55680       2.752635  48.93229       2.038210  -7.973972      2.660475  
1 1 1 26 7  10 o 33.01346 1.964332  10.42844       1.181191  9.632634       1.383661  12.56651       2.267971  -4.227245      3.928664  
1 1 1 26 7  11 o 14.47581 2.737616  1.238679       0.9479901 -0.3794583     1.147348  4.719936       1.682889  -12.95482      5.475231  
1 1 1 26 7  12 o 21.76545 2.414351  4.478746       0.9933168 3.678481       1.190067  6.316827       1.803585  -5.739237      4.828702  
1 1 1 26 7  13 o 24.49649 2.158936  6.027714       1.032102  5.514777       1.301957  6.895210       1.693162  -2.621511      4.317873  
1 1 1 26 7  14 o 31.71992 1.932694  10.28212       1.194257  10.00995       1.517325  10.72523       1.936058  -0.8984108     3.865388  
1 1 1 26 7  15 o 8.383268 2.770578  -1.509832      1.066574  -2.141361      1.301024  -0.2155867     1.862503  -3.857193      5.541156  
1 1 1 26 7  16 o 29.20185 2.258544  9.309823       1.292568  10.08876       1.721530  8.303285       1.956951  3.336809       4.517088  
1 1 1 26 7  17 o 16.23833 4.473589  3.619893       2.056563  3.247993       2.638744  4.195318       3.282301  -1.312349      8.947178  
1 1 1 26 7  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 7  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 8  0  o 94.20764 1.627990  88.73082       2.900736  89.93520       4.993823  88.11753       3.563557  0.000000       0.000000  
1 1 1 26 8  1  o 44.31955 1.079485  20.10679       0.9327123 17.20810       1.424088  22.28430       1.234288  -5.733810      2.158970  
1 1 1 26 8  2  o 92.26444 1.244186  86.09957       2.255525  90.33299       2.969951  80.33055       3.467013  5.442230       2.488372  
1 1 1 26 8  3  o 42.50771 0.9243171 17.70648       0.7602277 19.54743       1.270732  16.68028       0.9487404 3.361450       1.848634  
1 1 1 26 8  4  o 8.930112 2.499759  0.3627866      0.6307576 0.7332699      1.104619  0.1835411      0.7683381 2.589426       4.999518  
1 1 1 26 8  5  o 45.92191 0.9020806 20.92818       0.8155372 22.12740       1.286292  20.12207       1.054599  2.172871       1.804161  
1 1 1 26 8  6  o 44.21916 0.8714190 19.48357       0.7467308 19.96756       1.224329  19.19689       0.9422824 0.8557663      1.742838  
1 1 1 26 8  7  o 27.71645 1.132487  7.652107       0.6036783 7.879510       1.009123  7.525373       0.7533439 0.6188869      2.264974  
1 1 1 26 8  8  o 19.56942 2.667957  3.690156       0.8723053 3.445658       0.9876348 4.557464       1.860139  -2.189903      5.335913  
1 1 1 26 8  9  o 23.35147 1.531902  5.441911       0.7007331 5.257819       0.8973280 5.729634       1.121815  -0.9740868     3.063805  
1 1 1 26 8  10 o 13.94460 2.333485  2.280884       0.6512640 2.841501       0.7872062 1.064908       1.159359  5.656529       4.666969  
1 1 1 26 8  11 o 36.74763 1.589784  13.11003       1.114308  11.91672       1.357872  15.57078       1.949922  -4.799774      3.179568  
1 1 1 26 8  12 o 21.61583 2.438397  4.525030       0.9914336 3.609721       1.210508  6.390106       1.727955  -6.418741      4.876793  
1 1 1 26 8  13 o 25.89219 3.626040  6.765606       1.198095  6.569987       1.269743  8.353692       3.617817  -1.055170      7.252081  
1 1 1 26 8  14 o 23.77703 2.154356  5.396088       0.9573935 4.644143       1.136280  7.236358       1.777595  -5.057631      4.308712  
1 1 1 26 8  15 o 19.12820 2.909541  4.009873       1.047237  3.745109       1.307993  4.482680       1.747903  -1.370592      5.819082  
1 1 1 26 8  16 o 10.41004 3.002342  0.6446522      1.048281  1.417054       1.357082  -0.4980673     1.650647  2.612253       6.004683  
1 1 1 26 8  17 o 12.00455 3.777352  0.5073621      1.829405  1.485937       2.743930  -0.2756810     2.454533  2.249643       7.554704  
1 1 1 26 8  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 8  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 9  0  o 62.23614 1.305439  38.84198       1.403962  38.92097       2.807101  38.81563       1.621315  0.000000       0.000000  
1 1 1 26 9  1  o 130.8842 1.289385  171.7440       3.340459  172.6609       4.424778  170.5290       5.093800  0.8450012      2.578770  
1 1 1 26 9  2  o 94.39784 1.040670  89.24315       1.953250  88.89536       2.921738  89.52419       2.626427  -0.3443222     2.081339  
1 1 1 26 9  3  o 31.38700 1.129036  10.06710       0.6782367 9.129442       1.107738  10.62940       0.8578244 -2.400280      2.258071  
1 1 1 26 9  4  o 11.41221 2.702227  1.323339       0.7091797 -0.1747497     1.644843  1.665413       0.7859874 -2.409616      5.404453  
1 1 1 26 9  5  o 66.24118 0.9212340 43.81921       1.215497  45.19061       1.813951  42.70164       1.637504  1.869720       1.842468  
1 1 1 26 9  6  o 32.65716 1.077878  10.70063       0.6993547 10.57271       1.047835  10.80339       0.9391423 -0.3608170     2.155756  
1 1 1 26 9  7  o 12.76555 2.277921  1.504132       0.5860015 2.641079       0.9897122 0.8903836      0.7271665 6.232973       4.555841  
1 1 1 26 9  8  o 58.97158 1.154667  33.59357       1.270603  31.46508       1.520225  38.52616       2.314248  -5.897827      2.309335  
1 1 1 26 9  9  o 24.52745 2.338518  6.283558       0.8219017 6.327172       0.9021259 6.070544       1.993711  1.131359       4.677035  
1 1 1 26 9  10 o 12.03381 2.507926  0.8765275      0.6638446 0.1257581      0.7751740 2.941734       1.285664  -9.120865      5.015851  
1 1 1 26 9  11 o 15.80719 1.734096  2.681507       0.4654993 2.807163       0.5485458 2.358182       0.8799189 1.778176       3.468191  
1 1 1 26 9  12 o 11.36203 3.058884  1.044218       0.9421595 1.263231       1.145481  0.5862024      1.656504  0.2890568      6.117768  
1 1 1 26 9  13 o 19.32958 4.544439  3.735172       1.745757  3.299166       1.951816  5.479195       3.903631  -4.300858      9.088879  
1 1 1 26 9  14 o 40.14291 1.836445  16.51175       1.472164  17.43595       2.155471  15.70370       2.015480  2.083359       3.672891  
1 1 1 26 9  15 o 10.46226 3.121428  0.3279440      0.9929103 0.8377137E-01  1.151659  1.035021       1.959787  -3.651148      6.242856  
1 1 1 26 9  16 o 17.16666 3.209862  3.648811       1.129274  4.119693       1.488716  3.010675       1.733056  3.163794       6.419723  
1 1 1 26 9  17 f 12.89171 3.891903  1.230446       1.823517  2.986114       2.719468  -0.2038402     2.457994  4.046814       7.783806  
1 1 1 26 9  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 9  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 10 0  o 56.69968 1.409939  32.27906       1.526585  32.37519       2.559603  32.22598       1.901868  0.000000       0.000000  
1 1 1 26 10 1  o 24.25779 1.384258  5.753356       0.6590869 5.205471       0.8401386 6.630166       1.062818  -2.925127      2.768515  
1 1 1 26 10 2  o 64.08041 0.8447317 41.16495       1.080314  44.05236       1.522901  38.24012       1.532738  4.535435       1.689463  
1 1 1 26 10 3  o 11.13822 2.480232  1.167799       0.6530746 0.5517950      0.9217504 1.788738       0.9254345 -3.915129      4.960464  
1 1 1 26 10 4  o 55.02750 1.015396  30.41045       1.110754  31.19445       1.502117  29.46453       1.649959  1.579182       2.030792  
1 1 1 26 10 5  o 67.10326 0.8647185 45.07371       1.130569  45.14261       1.817520  45.03022       1.443920  0.6422424E-01  1.729437  
1 1 1 26 10 6  o 72.23904 0.9225315 52.33033       1.331200  50.41365       1.906575  54.15355       1.859511  -2.591393      1.845063  
1 1 1 26 10 7  o 61.25673 0.9001278 37.64562       1.101326  35.98752       1.572896  39.24039       1.542566  -2.657417      1.800256  
1 1 1 26 10 8  o 36.25172 1.367289  12.49674       0.9343326 11.23110       1.122182  15.35679       1.686918  -5.612175      2.734577  
1 1 1 26 10 9  o 11.48311 2.491293  1.003934       0.6576481 0.3031539      0.8107417 2.352186       1.124546  -6.808986      4.982586  
1 1 1 26 10 10 o 34.40167 1.213904  12.38875       0.7737055 13.36148       0.9542180 10.52189       1.321927  4.184906       2.427807  
1 1 1 26 10 11 o 40.02757 1.018836  16.43119       0.7873309 17.51748       1.010906  14.75627       1.255257  3.494034       2.037673  
1 1 1 26 10 12 o 40.63032 1.347354  14.63801       0.7252014 14.02376       0.7687548 19.60284       2.185577  -6.481747      2.694708  
1 1 1 26 10 13 o 9.726799 3.024151  -0.2962187     1.127868  0.2395455      1.736808  -0.6869162     1.483150  2.074586       6.048302  
1 1 1 26 10 14 o 10.02471 3.181534  -0.5582959     1.298765  -0.8159986     1.675737  -0.1706306     2.055298  -1.839758      6.363069  
1 1 1 26 10 15 o 10.79647 3.059731  -0.8361673E-01 0.9926875 -1.011852      1.168622  2.321940       1.881277  -7.500580      6.119461  
1 1 1 26 10 16 o 20.59453 2.829035  4.516567       1.117930  3.064965       1.397091  7.100497       1.863979  -9.214935      5.658069  
1 1 1 26 10 17 f 13.00632 3.869170  0.6603868      1.930086  -2.434401      2.652409  4.143367       2.813848  -7.081418      7.738340  
1 1 1 26 10 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 10 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 11 0  o 4.807761 2.409139  -0.9902991     0.7907787 -2.456992      1.661390  -0.5606888     0.8991647 0.000000       0.000000  
1 1 1 26 11 1  o 62.15341 0.7925110 38.63820       0.9847392 39.29707       1.417271  38.02324       1.369234  1.023243       1.585022  
1 1 1 26 11 2  f 52.22671 0.8617188 27.43075       0.8934547 31.29144       1.264391  23.58048       1.262682  7.382145       1.723438  
1 1 1 26 11 3  o 90.98234 0.9955810 83.25348       1.801225  78.75799       2.649633  87.11595       2.456006  -4.602020      1.991162  
1 1 1 26 11 4  f 7.891429 2.428978  -0.5838165     0.6804621 -1.066676      0.8118307 0.5566525      1.247661  -4.686950      4.857957  
1 1 1 26 11 5  o 19.46687 1.649232  3.754293       0.6366467 4.512497       0.9622120 3.163908       0.8490732 3.451773       3.298465  
1 1 1 26 11 6  o 25.04868 1.375308  6.231228       0.6850131 6.936674       1.039016  5.688840       0.9110569 2.478802       2.750616  
1 1 1 26 11 7  o 57.62402 0.8562528 33.52917       0.9674221 31.87093       1.505697  34.69500       1.262493  -2.469318      1.712506  
1 1 1 26 11 8  o 15.53925 2.421848  2.504774       0.7265252 2.223395       0.9515560 2.898088       1.125013  -2.058242      4.843695  
1 1 1 26 11 9  o 20.15062 1.944563  4.041782       0.7685390 3.778306       0.9814795 4.459394       1.235653  -1.631912      3.889125  
1 1 1 26 11 10 o 13.21746 2.591220  1.317493       0.6660914 0.7235239      0.7632339 3.215467       1.364335  -8.189441      5.182440  
1 1 1 26 11 11 f 38.21148 1.071608  14.44547       0.7809024 13.90261       0.9600860 15.50666       1.342332  -2.020042      2.143216  
1 1 1 26 11 12 o 9.315942 2.279383  0.8503470      0.5000478 1.028432       0.5729110 0.2807631      1.024597  1.138296       4.558767  
1 1 1 26 11 13 o 13.45618 3.403693  1.477652       1.284316  3.023927       1.807182  -0.1002179     1.825551  5.934626       6.807386  
1 1 1 26 11 14 o 42.18791 1.808158  17.20384       1.315167  16.14624       1.497139  20.77833       2.752384  -4.705818      3.616317  
1 1 1 26 11 15 o 13.52979 3.338142  1.979140       1.079100  2.182754       1.286586  1.496096       1.981654  0.8541822      6.676285  
1 1 1 26 11 16 o 14.34824 3.111073  2.581646       1.066322  3.437516       1.359008  1.210729       1.719981  5.355669       6.222146  
1 1 1 26 11 17 o 10.86370 3.526228  -0.3787206     1.768346  -1.567531      2.464095  0.8836975      2.539234  -2.350100      7.052457  
1 1 1 26 11 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 12 0  o 61.11942 1.285118  37.19436       1.366992  38.09901       2.718959  36.88833       1.581391  0.000000       0.000000  
1 1 1 26 12 1  o 54.23121 0.8027694 29.43345       0.8706072 29.42391       1.240358  29.44271       1.222290  -0.1795578E-01 1.605539  
1 1 1 26 12 2  o 113.8429 1.074903  129.7923       2.447360  128.7847       3.450851  130.8121       3.471421  -0.8894196     2.149807  
1 1 1 26 12 3  o 67.45702 1.072648  45.52279       1.421753  45.89211       2.233542  45.27120       1.843469  0.4386597      2.145297  
1 1 1 26 12 4  o 63.59431 0.9646177 40.52044       1.226382  41.06017       1.717178  39.95855       1.752080  0.8681984      1.929235  
1 1 1 26 12 5  o 41.93612 0.8716325 17.60075       0.7308253 18.19794       1.047217  17.03376       1.020391  1.386505       1.743265  
1 1 1 26 12 6  o 112.1786 1.145266  125.9713       2.538991  127.6572       3.915040  124.7475       3.335531  1.246216       2.290532  
1 1 1 26 12 7  o 30.87914 1.031612  9.574793       0.6362229 10.07229       0.8949450 9.066456       0.9046436 1.629623       2.063224  
1 1 1 26 12 8  o 40.88729 0.8965078 16.74241       0.7249443 16.86025       1.113093  16.65560       0.9553444 0.2353897      1.793016  
1 1 1 26 12 9  o 9.204811 2.610463  0.1264273      0.7511772 -0.4693411     0.9543179 1.096747       1.217900  -4.255078      5.220926  
1 1 1 26 12 10 o 14.83509 2.654950  2.243431       0.7102695 2.132488       0.8195934 2.578071       1.423436  -1.284388      5.309901  
1 1 1 26 12 11 o 9.928988 2.598860  0.4736438      0.6425413 0.6091999E-01  0.7477592 1.638476       1.256214  -5.547896      5.197720  
1 1 1 26 12 12 o 17.08537 2.745375  2.303299       0.6300355 2.061592       0.6647019 4.440903       1.976724  -5.698318      5.490750  
1 1 1 26 12 13 o 23.90053 1.288338  5.143724       0.5133277 4.686089       0.5725911 7.017529       1.158637  -4.660994      2.576675  
1 1 1 26 12 14 o 12.20974 2.996126  1.522848       0.8861249 1.383445       1.160884  1.717470       1.371664  -1.126404      5.992251  
1 1 1 26 12 15 o 31.65696 1.870937  9.896464       1.130751  8.820864       1.376959  12.12390       1.981519  -4.783405      3.741874  
1 1 1 26 12 16 o 10.54555 2.817109  1.120763       0.8488094 1.596258       0.9612541 -0.5624288     1.808555  2.471007       5.634218  
1 1 1 26 12 17 o 17.52292 3.921882  3.702700       1.339897  3.702700       1.339897  ?              ?         ?              ?         
1 1 1 26 12 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 13 0  o 54.55125 1.304788  29.21265       1.247616  31.32334       2.479123  28.49680       1.443763  0.000000       0.000000  
1 1 1 26 13 1  o 40.55340 0.9576958 16.46220       0.7725626 16.42599       1.039404  16.50691       1.154825  -0.9442520E-01 1.915392  
1 1 1 26 13 2  o 56.64124 0.9004692 31.80297       1.003238  30.46437       1.293867  33.82105       1.588669  -2.949287      1.800938  
1 1 1 26 13 3  o 88.97130 0.9951962 79.35527       1.751628  79.74084       2.315942  78.83987       2.677575  0.5274963      1.990392  
1 1 1 26 13 4  o 17.87223 1.843978  3.172174       0.6547995 3.646905       0.9943781 2.808713       0.8700736 2.330048       3.687956  
1 1 1 26 13 5  o 49.52216 0.8341931 24.54767       0.8254024 26.09028       1.180035  23.06993       1.154960  3.048088       1.668386  
1 1 1 26 13 6  o 8.385695 2.302318  0.4032345      0.5635238 0.1191523      0.7826207 0.7091073      0.8120817 -1.746804      4.604636  
1 1 1 26 13 7  o 63.08664 0.9874501 41.01524       1.211089  48.94492       1.651498  31.78969       1.781340  13.60915       1.974900  
1 1 1 26 13 8  o 33.43048 1.017719  10.94310       0.6719709 13.08481       1.055199  9.482042       0.8715428 5.368441       2.035438  
1 1 1 26 13 9  o 11.10833 2.766917  0.9582683      0.7322944 0.6120515      0.8868707 1.700066       1.298163  -3.884773      5.533834  
1 1 1 26 13 10 o 30.80577 1.528354  8.860605       0.7147980 8.492555       0.7798709 10.79404       1.787447  -3.463100      3.056708  
1 1 1 26 13 11 o 16.10227 2.297634  2.636904       0.6141284 2.564027       0.6947355 2.897423       1.313545  -0.4101152     4.595269  
1 1 1 26 13 12 o 26.13824 1.422227  6.435810       0.6362251 6.023252       0.7207870 7.891090       1.353750  -3.366323      2.844455  
1 1 1 26 13 13 o 13.06775 3.006766  0.7483365      0.5066985 0.5533696      0.5222183 3.883022       2.093961  -10.64090      6.013532  
1 1 1 26 13 14 o 35.29480 1.196974  12.86559       0.8240605 13.88762       1.081274  11.44941       1.272807  3.536510       2.393947  
1 1 1 26 13 15 o 7.612813 2.337783  -0.4844795E-01 0.6564792 -0.1716250     0.8708837 0.1136568      0.9990633 -1.049767      4.675566  
1 1 1 26 13 16 o 9.387830 3.582744  0.8048966      0.9372223 0.8048966      0.9372223 ?              ?         ?              ?         
1 1 1 26 13 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 13 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 14 0  o 69.78036 1.374135  48.93569       1.668962  48.75586       3.297410  48.99763       1.935142  0.000000       0.000000  
1 1 1 26 14 1  o 45.97862 0.8747170 21.12583       0.8034681 22.00971       1.170616  20.33857       1.104790  1.814087       1.749434  
1 1 1 26 14 2  f 47.08280 1.027622  21.67319       0.9540232 19.14329       1.229600  25.49970       1.512211  -6.732807      2.055243  
1 1 1 26 14 3  o 42.34327 0.9074684 17.95043       0.7681631 17.76348       1.068258  18.15059       1.105386  -0.4549408     1.814937  
1 1 1 26 14 4  o 29.87986 1.102730  8.933537       0.6583003 8.640717       0.9060165 9.261006       0.9581218 -1.034210      2.205460  
1 1 1 26 14 5  o 23.00030 1.453557  5.242333       0.6621150 4.830677       0.8660972 5.821262       1.027099  -2.135481      2.907115  
1 1 1 26 14 6  o 68.25182 0.8298301 46.61059       1.131899  49.16074       1.631069  44.24164       1.572054  3.599014       1.659660  
1 1 1 26 14 7  f 52.06870 0.8470867 26.73538       0.8723527 24.43213       1.135573  30.05173       1.362617  -5.376190      1.694173  
1 1 1 26 14 8  o 42.94476 0.8417858 18.50836       0.7220895 17.72617       1.031586  19.25980       1.011100  -1.787567      1.683572  
1 1 1 26 14 9  o 16.46114 2.403259  2.471768       0.7147012 1.850060       0.8402554 4.098386       1.359130  -6.501956      4.806518  
1 1 1 26 14 10 o 20.54674 1.884119  3.868447       0.6527665 3.540702       0.7321787 5.138242       1.441170  -3.644846      3.768238  
1 1 1 26 14 11 o 12.65527 2.569666  1.748810       0.6317916 1.869259       0.7194853 1.343082       1.320503  1.242522       5.139332  
1 1 1 26 14 12 o 7.707539 2.450583  -0.3485263     0.7515425 0.4380961E-02  0.8811802 -1.290251      1.439449  -0.2546997     4.901166  
1 1 1 26 14 13 o 8.962666 2.415970  0.5153104      0.4749138 0.4248299      0.5204272 0.9657884      1.161233  -3.435059      4.831940  
1 1 1 26 14 14 o 10.37102 2.618824  0.9987261      0.6566830 0.9214605      0.8015228 1.156484       1.145297  -1.334072      5.237648  
1 1 1 26 14 15 o 17.82656 2.865418  3.527185       0.8253808 3.468045       0.9141501 3.788097       1.920102  0.7330971      5.730836  
1 1 1 26 14 16 f 20.48086 2.032739  4.182452       0.7753416 6.570010       1.314679  2.909157       0.9600796 8.685040       4.065479  
1 1 1 26 14 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 14 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 15 0  o 24.24566 2.541106  5.997568       1.054993  6.847689       1.990352  5.665395       1.244148  0.000000       0.000000  
1 1 1 26 15 1  o 24.53192 1.352360  6.038417       0.6626416 5.635565       0.9298996 6.454022       0.9445046 -1.666895      2.704719  
1 1 1 26 15 2  o 28.40909 1.454586  7.609358       0.7918839 9.875036       1.383501  6.505423       0.9657229 5.890823       2.909173  
1 1 1 26 15 3  o 10.90871 2.398138  1.083400       0.6244093 0.3870910      0.8610014 1.855892       0.9068800 -4.778811      4.796276  
1 1 1 26 15 4  o 43.81706 0.9463799 19.24708       0.8149772 19.30538       1.059486  19.16259       1.275426  0.1773987      1.892760  
1 1 1 26 15 5  o 35.52360 0.9620140 12.67994       0.6812205 13.11511       0.9362655 12.19041       0.9930201 1.306374       1.924028  
1 1 1 26 15 6  o 19.21057 1.840497  4.079950       0.6291962 4.902949       0.8058536 2.794744       1.007031  5.760557       3.680995  
1 1 1 26 15 7  o 72.48147 0.8474293 52.64666       1.228058  52.58210       1.714489  52.71468       1.759872  -0.8738708E-01 1.694859  
1 1 1 26 15 8  o 22.52270 1.356435  5.104344       0.6108155 5.036167       0.8510504 5.176773       0.8771895 -0.3076458     2.712869  
1 1 1 26 15 9  o 14.91536 1.509919  2.226285       0.4445573 2.378788       0.6956611 2.121017       0.5779692 0.8352680      3.019838  
1 1 1 26 15 10 o 52.66183 1.066440  27.64315       0.9969455 27.33671       1.163853  28.48763       1.932077  -0.9353447     2.132879  
1 1 1 26 15 11 o 15.41191 2.418495  2.555992       0.6199126 2.606100       0.6967502 2.365657       1.357949  1.234654       4.836989  
1 1 1 26 15 12 o 23.97881 1.949521  5.774562       0.8506687 5.577864       1.004849  6.272103       1.598139  -1.136917      3.899043  
1 1 1 26 15 13 o 8.972280 2.414748  0.6835009      0.5371388 0.8530476      0.5893236 -0.1486487     1.305599  0.2788258      4.829497  
1 1 1 26 15 14 o 13.36675 2.331505  1.459746       0.4971142 1.169298       0.5422927 2.988241       1.244032  -5.901979      4.663010  
1 1 1 26 15 15 o 8.258299 2.516621  0.1097300      0.7332543 0.1551898E-01  0.9276377 0.2666254      1.197106  -1.350344      5.033242  
1 1 1 26 15 16 o 10.11189 2.752299  0.9556946      0.7924504 1.242950       1.130080  0.6777879      1.111538  1.395214       5.504599  
1 1 1 26 15 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 15 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 16 0  o 61.20790 1.389319  37.94534       1.470583  37.04441       2.914838  38.25296       1.703243  0.000000       0.000000  
1 1 1 26 16 1  o 79.68793 0.8948337 63.58448       1.425974  62.92460       1.997678  64.26998       2.036134  -0.8419113     1.789667  
1 1 1 26 16 2  o 95.03384 0.9751057 90.35487       1.851829  87.65550       2.556088  93.33679       2.686543  -2.980736      1.950211  
1 1 1 26 16 3  o 38.79076 1.227455  15.09159       0.9522366 15.01305       1.339176  15.17191       1.354283  -0.2034531     2.454910  
1 1 1 26 16 4  o 44.90473 0.9576648 20.05725       0.8374758 19.56573       1.062890  20.86202       1.360040  -1.419445      1.915330  
1 1 1 26 16 5  o 20.54494 1.497919  4.205960       0.6087731 3.408640       0.8217222 5.175981       0.9063570 -4.289091      2.995838  
1 1 1 26 16 6  o 35.20283 0.9370151 12.39194       0.6578088 12.02169       0.8916535 12.83410       0.9744097 -1.145790      1.874030  
1 1 1 26 16 7  o 7.315567 2.275652  -0.2379346     0.6432868 -0.2929325     0.8760186 -0.1735690     0.9476926 -0.5426040     4.551305  
1 1 1 26 16 8  o 21.77054 1.448712  4.616750       0.6200765 3.770203       0.7986647 5.901401       0.9838564 -4.859556      2.897425  
1 1 1 26 16 9  o 23.99810 1.411723  5.993264       0.6489888 6.554255       0.8325202 5.124271       1.036155  3.030718       2.823447  
1 1 1 26 16 10 o 30.44533 1.565266  9.505502       0.8677860 9.651814       1.037340  9.164410       1.583864  0.9796677      3.130532  
1 1 1 26 16 11 f 34.17724 1.301753  10.61366       0.7449222 9.743407       0.8332244 14.07904       1.662698  -6.102428      2.603506  
1 1 1 26 16 12 o 24.16706 1.848516  5.773106       0.8563671 5.249203       1.050376  6.811725       1.478931  -3.004534      3.697033  
1 1 1 26 16 13 o 7.791888 2.376917  -0.4747958     0.5895206 -0.8673183     0.6688435 0.8918554      1.248019  -5.608135      4.753835  
1 1 1 26 16 14 o 11.81451 2.466706  1.235789       0.5063027 1.053801       0.5568097 2.104613       1.216611  -3.822511      4.933411  
1 1 1 26 16 15 o 14.29527 2.643181  2.122262       0.7728436 1.295971       0.9619423 3.626724       1.297996  -6.807022      5.286362  
1 1 1 26 16 16 o 11.96486 3.000054  1.664125       0.9105611 1.321880       1.300920  1.992832       1.274929  -1.673450      6.000108  
1 1 1 26 16 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 16 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 17 0  o 23.66320 2.515133  5.508276       0.9152724 6.794066       2.024853  5.178100       1.026081  0.000000       0.000000  
1 1 1 26 17 1  o 10.22287 2.702684  0.7971468      0.7223524 0.8026094      1.212519  0.7941414      0.8993728 0.8887844      5.405369  
1 1 1 26 17 2  o 43.11543 0.9366258 18.62479       0.8075976 18.85863       1.140728  18.38981       1.143508  0.5438690      1.873252  
1 1 1 26 17 3  o 81.40800 0.9928387 66.20153       1.583520  65.32062       2.037141  67.54645       2.517120  -1.327011      1.985677  
1 1 1 26 17 4  o 41.27852 0.9243906 16.90139       0.7579644 15.64247       1.003118  18.57663       1.157156  -3.540672      1.848781  
1 1 1 26 17 5  o 35.24098 1.013019  12.49919       0.7106445 12.99488       0.9713591 11.92833       1.042404  1.520538       2.026039  
1 1 1 26 17 6  o 21.19944 1.539168  4.589178       0.6333030 4.815828       0.8154273 4.244649       1.005354  1.377655       3.078336  
1 1 1 26 17 7  o 30.77489 1.140817  9.494761       0.6988603 9.710735       1.045239  9.320154       0.9398203 0.6195908      2.281634  
1 1 1 26 17 8  o 16.01606 2.212548  2.676751       0.6807435 2.380114       0.9137266 3.046793       1.020538  -2.028302      4.425096  
1 1 1 26 17 9  o 44.17871 0.8750793 19.65623       0.7697180 20.35818       1.051682  18.84645       1.129580  1.723412       1.750159  
1 1 1 26 17 10 o 11.59012 2.010778  1.342711       0.4820509 2.187291       0.7432040 0.7293660      0.6333447 5.651987       4.021555  
1 1 1 26 17 11 o 8.789656 2.540617  0.4175958      0.6574990 0.6778467      0.7383788 -0.5789444     1.444876  0.1157560      5.081235  
1 1 1 26 17 12 o 25.15033 1.780751  6.324101       0.8385133 6.038068       1.010702  6.955701       1.501884  -1.576822      3.561502  
1 1 1 26 17 13 o 14.12714 2.519768  2.079849       0.5861731 2.051657       0.6428229 2.218978       1.428049  0.1224995E-01  5.039535  
1 1 1 26 17 14 f 7.448107 2.381969  -0.3595238     0.5446702 -0.4800670     0.5924652 0.2984600      1.384200  -4.565245      4.763938  
1 1 1 26 17 15 o 8.039751 2.430747  -0.1654064     0.7864402 0.8149789      1.009946  -1.675624      1.253486  3.040534       4.861494  
1 1 1 26 17 16 o 11.82115 2.974987  1.583760       0.8884033 1.227020       1.195042  2.024480       1.328278  -2.093962      5.949975  
1 1 1 26 17 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 18 0  o 44.71237 1.523325  20.08796       1.358765  20.08796       1.358765  20.08796       1.358765  0.000000       0.000000  
1 1 1 26 18 1  o 59.68259 0.9279921 35.73636       1.096809  35.37213       1.667949  36.01384       1.455840  -0.5539360     1.855984  
1 1 1 26 18 2  o 47.44131 0.9834602 22.73015       0.9250960 20.93830       1.366927  24.24442       1.256592  -3.493999      1.966920  
1 1 1 26 18 3  f 56.35794 1.072551  32.33461       1.131647  33.26577       1.387280  30.48273       1.956405  2.525513       2.145102  
1 1 1 26 18 4  o 66.06715 0.8700897 43.70474       1.145701  43.29909       1.553456  44.18855       1.696510  -0.6606369     1.740179  
1 1 1 26 18 5  o 24.67582 1.385127  6.024260       0.6702352 5.651359       0.8558784 6.615525       1.077721  -1.921310      2.770255  
1 1 1 26 18 6  o 35.30259 1.023458  12.43622       0.7197457 11.78170       0.9670252 13.24913       1.077692  -2.065506      2.046916  
1 1 1 26 18 7  o 12.76973 2.307404  1.693097       0.6260609 2.547226       0.9015872 0.8977252      0.8700237 5.622264       4.614809  
1 1 1 26 18 8  o 39.64748 1.015988  15.81230       0.7993302 15.71189       1.206129  15.89094       1.067390  -0.2509613     2.031977  
1 1 1 26 18 9  o 15.64320 2.222311  2.977407       0.6431379 3.793872       0.7954097 1.435701       1.093007  7.434197       4.444623  
1 1 1 26 18 10 o 12.28116 2.571745  1.321778       0.6427171 0.8772932      0.7603183 2.434576       1.203026  -5.398353      5.143490  
1 1 1 26 18 11 o 15.21967 2.571089  2.992238       0.7161544 3.456519       0.8003836 1.128097       1.603788  6.420173       5.142179  
1 1 1 26 18 12 o 47.24424 1.215292  22.49524       1.071180  22.33124       1.297375  22.84650       1.898651  -0.3388634     2.430585  
1 1 1 26 18 13 o 10.93343 2.726299  1.050506       0.6190352 0.9550613      0.6873960 1.460040       1.423887  -2.611537      5.452598  
1 1 1 26 18 14 o 7.733710 2.478187  -0.3232456     0.7535555 -0.2211039     0.8831666 -0.5966566     1.444938  -1.449179      4.956375  
1 1 1 26 18 15 o 12.44700 3.075485  1.398936       0.8407376 0.9345717      0.9638464 2.876389       1.719235  -5.289469      6.150970  
1 1 1 26 18 16 o 15.65936 3.141221  3.097675       1.054912  4.157322       1.572843  2.231237       1.422242  4.839101       6.282441  
1 1 1 26 18 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 19 0  o 15.42297 3.278003  3.448845       0.8902813 1.889220       1.813169  3.944304       1.021955  0.000000       0.000000  
1 1 1 26 19 1  f 41.67725 0.9855394 17.41505       0.8214859 17.48903       1.161794  17.34109       1.161719  0.1774788      1.971079  
1 1 1 26 19 2  o 34.45256 1.203536  11.93494       0.8150970 11.81776       1.272792  12.01641       1.061268  -0.3128471     2.407072  
1 1 1 26 19 3  o 44.44888 1.141028  19.81584       0.9266011 19.79418       1.104745  19.86723       1.701677  -0.1471710E-01 2.282057  
1 1 1 26 19 4  o 34.12214 1.220423  11.93500       0.7709910 12.36269       0.9379916 11.04422       1.353694  1.983871       2.440846  
1 1 1 26 19 5  o 22.52922 1.560448  5.176986       0.6813410 5.392791       0.8732502 4.841187       1.089299  1.260273       3.120896  
1 1 1 26 19 6  o 25.79400 1.303775  6.739910       0.6649547 7.044332       0.8886523 6.352602       1.002357  1.359707       2.607550  
1 1 1 26 19 7  o 9.858793 2.395584  0.8671654      0.6025475 1.324718       0.8196291 0.3290854      0.8888335 2.884390       4.791168  
1 1 1 26 19 8  o 28.69843 1.215334  8.384090       0.6876419 8.913599       0.9174416 7.705277       1.038765  2.131933       2.430668  
1 1 1 26 19 9  o 18.47926 1.714576  3.466000       0.6251058 3.415994       0.8170288 3.536597       0.9707882 -0.2696953     3.429152  
1 1 1 26 19 10 o 17.04658 1.871485  3.098147       0.5948436 3.374819       0.7636272 2.671185       0.9486237 2.393055       3.742970  
1 1 1 26 19 11 o 26.38149 1.171208  6.966517       0.6060134 7.391900       0.9678313 6.692174       0.7772416 1.262161       2.342416  
1 1 1 26 19 12 o 22.27403 2.951956  5.882381       0.8654471 6.049731       0.9322224 4.838184       2.328611  4.218508       5.903912  
1 1 1 26 19 13 o 15.28599 2.507068  1.700781       0.6249818 1.136787       0.6832255 4.592019       1.546922  -9.973999      5.014137  
1 1 1 26 19 14 o 8.430246 2.467356  0.4269997      0.6340134 0.7035195      0.7012713 -0.8106732     1.483631  0.3889093      4.934713  
1 1 1 26 19 15 o 8.471918 2.684977  0.1735299      0.6822416 0.3041887      0.7242562 -0.8556116     2.032640  -2.067499      5.369955  
1 1 1 26 19 16 o 11.15935 4.438689  0.000000       0.000000  ?              ?         1.345434       1.480827  ?              ?         
1 1 1 26 19 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 20 0  o 47.10297 1.489467  22.01733       1.335412  23.63739       2.282354  21.17401       1.646707  0.000000       0.000000  
1 1 1 26 20 1  o 62.91918 0.9464275 39.77162       1.178411  40.27275       1.562835  39.11124       1.794034  0.9451408      1.892855  
1 1 1 26 20 2  o 64.13165 0.8778006 41.19759       1.125379  40.47314       1.563232  41.97697       1.621414  -1.167149      1.755601  
1 1 1 26 20 3  o 10.28284 2.496528  0.7728881      0.6924293 1.702565       0.9921522 -0.1099299     0.9668248 4.979701       4.993055  
1 1 1 26 20 4  o 50.62521 0.9059606 25.58967       0.9117051 24.80659       1.215859  26.59553       1.378001  -1.751026      1.811921  
1 1 1 26 20 5  o 26.26703 1.288592  6.963356       0.6703125 7.121205       0.8936616 6.760314       1.013546  0.7060051      2.577184  
1 1 1 26 20 6  o 22.19597 1.781081  4.980268       0.7895582 5.083401       1.151955  4.888891       1.084320  0.4220772      3.562163  
1 1 1 26 20 7  o 41.49250 1.062173  17.30368       0.8802497 17.54202       1.282352  17.09131       1.210477  0.5292740      2.124346  
1 1 1 26 20 8  o 51.30676 0.8825274 26.28535       0.8965916 25.39671       1.178711  27.50546       1.381162  -2.019173      1.765055  
1 1 1 26 20 9  o 41.97928 0.9554092 17.82379       0.7958764 18.75348       1.078548  16.71236       1.179261  2.451317       1.910818  
1 1 1 26 20 10 o 12.56531 2.414956  1.738557       0.6168901 1.924648       0.7714537 1.408541       1.027343  1.709397       4.829913  
1 1 1 26 20 11 o 15.34489 2.088703  2.613546       0.6149949 1.541521       0.8958943 3.568900       0.8457392 -6.710029      4.177405  
1 1 1 26 20 12 o 25.83582 1.671831  6.338210       0.8133267 5.401117       0.9716414 8.531827       1.486603  -5.733570      3.343662  
1 1 1 26 20 13 o 9.990312 2.726645  0.7238951      0.6659100 0.6233198      0.7538913 1.080925       1.420416  -2.722214      5.453291  
1 1 1 26 20 14 o 9.893347 3.128595  0.4134460E-01  0.6913608 -0.9175617E-01 0.7197406 1.629974       2.486549  -6.774145      6.257189  
1 1 1 26 20 15 o 11.27506 3.290807  1.463825       0.7878281 1.463825       0.7878281 ?              ?         ?              ?         
1 1 1 26 20 16 o 12.33643 5.705570  0.000000       0.000000  ?              ?         0.8472542      3.326636  ?              ?         
1 1 1 26 20 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 21 0  o 17.02995 3.582599  3.759734       0.9722056 3.243103       1.964679  3.927264       1.118786  0.000000       0.000000  
1 1 1 26 21 1  o 38.40428 1.112063  14.88215       0.8465490 14.14036       1.266677  15.48093       1.138031  -1.760345      2.224126  
1 1 1 26 21 2  o 56.15625 0.9633420 31.26897       1.053699  30.13426       1.334434  33.14814       1.717261  -2.644558      1.926684  
1 1 1 26 21 3  o 31.40223 1.198697  9.714932       0.7449815 8.119955       0.9830438 11.86675       1.141821  -5.944986      2.397394  
1 1 1 26 21 4  o 32.00166 1.303373  10.33502       0.8276249 10.59093       1.111158  10.01613       1.240346  0.9187431      2.606745  
1 1 1 26 21 5  o 27.20387 1.204148  7.452769       0.6538899 7.918499       0.9197648 6.976824       0.9297968 1.732353       2.408296  
1 1 1 26 21 6  o 9.960552 2.406657  0.6363308      0.6362772 -0.1292935     0.8293905 1.731448       0.9919310 -5.674212      4.813314  
1 1 1 26 21 7  o 7.191845 2.271932  -0.6866460     0.7016916 -1.456396      0.9578702 0.2048222      1.030825  -2.875938      4.543864  
1 1 1 26 21 8  o 28.90059 1.215235  8.510063       0.6895457 8.917083       0.9064283 7.950959       1.062359  1.711903       2.430469  
1 1 1 26 21 9  o 11.12466 2.532322  1.130223       0.6389473 0.7159296      0.8056394 1.832614       1.049002  -3.920415      5.064644  
1 1 1 26 21 10 o 12.59449 2.629278  1.642442       0.6809438 1.480973       0.8390514 1.953985       1.165473  -1.678169      5.258555  
1 1 1 26 21 11 o 18.05636 2.075450  3.400201       0.6845964 3.353106       0.8338483 3.497593       1.199118  0.1146049      4.150900  
1 1 1 26 21 12 o 27.47661 1.251861  7.545328       0.6810902 6.812994       0.8897825 8.581596       1.058437  -3.141459      2.503723  
1 1 1 26 21 13 o 9.264527 2.694998  0.4106933      0.6784422 0.2969753      0.7643055 0.8332232      1.473266  -3.156745      5.389996  
1 1 1 26 21 14 o 10.22249 2.823299  0.8326450      0.7088669 0.6856174      0.7973629 1.386904       1.548151  -2.971046      5.646598  
1 1 1 26 21 15 o 13.34507 2.791244  2.297524       0.7737309 2.537974       0.8727900 1.414969       1.672124  3.266978       5.582489  
1 1 1 26 21 16 o 8.831318 3.943262  0.000000       0.000000  ?              ?         0.9200898E-01  1.425433  ?              ?         
1 1 1 26 21 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26 22 0  o 9.066462 3.509261  1.190115       0.9091098 0.1231900      1.936957  1.491549       1.029555  0.000000       0.000000  
1 1 1 26 22 1  o 15.41888 2.338776  2.479589       0.6990342 2.125350       0.9412296 2.915314       1.043889  -2.490682      4.677552  
1 1 1 26 22 2  o 35.41861 1.077520  12.55212       0.7608914 12.10895       1.029038  13.08669       1.130187  -1.367493      2.155039  
1 1 1 26 22 3  o 14.72741 2.435784  2.407415       0.7210404 2.969325       0.9189342 1.507260       1.163079  4.788486       4.871568  
1 1 1 26 22 4  o 17.09395 1.925487  2.960025       0.6566888 2.931202       0.8961200 2.993456       0.9651090 -0.1646709     3.850975  
1 1 1 26 22 5  o 31.14700 1.416921  10.02156       0.8611611 7.991577       1.267782  11.76059       1.173416  -6.070839      2.833842  
1 1 1 26 22 6  o 15.24481 2.638274  2.499350       0.7876579 2.515010       1.019738  2.476187       1.240168  0.1904364      5.276548  
1 1 1 26 22 7  o 26.66710 1.318561  7.150292       0.6890236 7.015908       0.8858646 7.356094       1.096273  -0.5797234     2.637121  
1 1 1 26 22 8  o 11.17826 2.374521  1.229625       0.6803131 2.177883       0.8895221 -0.1066938     1.055962  6.186442       4.749042  
1 1 1 26 22 9  o 19.14690 1.878686  3.583657       0.6784402 2.574467       0.8591938 5.254966       1.105689  -7.095573      3.757373  
1 1 1 26 22 10 o 14.25481 2.425613  2.119793       0.6792310 1.651200       0.8757286 2.827340       1.076091  -3.788617      4.851226  
1 1 1 26 22 11 o 50.09391 1.043802  25.39364       1.045051  26.08809       1.465664  24.67545       1.490499  1.419479       2.087603  
1 1 1 26 22 12 o 10.45446 2.601215  1.102412       0.6576635 1.271054       0.7792192 0.6847994      1.226210  0.8185349      5.202430  
1 1 1 26 22 13 o 5.992158 1.946055  -0.4555945     0.5318221 -0.5067335     0.8067096 -0.4162848     0.7072808 0.3155546      3.892110  
1 1 1 26 22 14 o 8.372335 2.705251  -0.4449592     0.7089602 -0.6547113     0.7692057 0.7389045      1.827428  -5.315617      5.410502  
1 1 1 26 22 15 o 11.56605 3.061701  1.404794       0.7880899 1.306009       0.8650981 1.886725       1.910783  -1.914373      6.123403  
1 1 1 26 22 16 o 8.045908 3.696744  0.000000       0.000000  ?              ?         -0.4093141     1.368463  ?              ?         
1 1 1 26 23 0  o 11.63264 4.257597  1.941415       1.242874  2.642240       2.006750  1.505293       1.583041  0.000000       0.000000  
1 1 1 26 23 1  o 49.10206 0.9369650 24.18681       0.9201350 24.23108       1.303360  24.14283       1.299185  0.8936310E-01  1.873930  
1 1 1 26 23 2  o 48.92728 0.9388248 23.95641       0.9156428 23.32186       1.238570  24.72117       1.359721  -1.415215      1.877650  
1 1 1 26 23 3  o 13.26427 2.506007  1.972012       0.7021679 2.489292       0.8801516 1.066418       1.164559  4.277574       5.012014  
1 1 1 26 23 4  o 9.215858 2.566264  0.5190054      0.7014217 0.8315721      0.8622162 -0.9263171E-01 1.206123  1.002364       5.132528  
1 1 1 26 23 5  o 21.43769 1.641894  4.428166       0.6851012 3.366596       0.8698977 6.162106       1.111760  -6.447517      3.283788  
1 1 1 26 23 6  o 13.02307 2.681018  1.798721       0.7400255 1.922563       1.074774  1.687082       1.020447  0.7722788      5.362036  
1 1 1 26 23 7  o 27.30732 1.441191  7.555762       0.7858167 8.074611       1.114125  7.042119       1.108522  1.888798       2.882382  
1 1 1 26 23 8  f 38.73196 1.330949  15.16511       1.027220  15.24434       1.520755  15.09863       1.393047  0.1497421      2.661898  
1 1 1 26 23 9  o 21.21875 1.915676  4.843514       0.7429139 5.232430       0.9088439 4.060332       1.289710  2.955637       3.831351  
1 1 1 26 23 10 o 16.45041 2.255889  2.922794       0.7201490 3.549516       0.9984801 2.243315       1.039656  4.241025       4.511778  
1 1 1 26 23 11 o 33.06124 1.254658  11.06896       0.8268259 12.41925       1.204529  9.865808       1.137007  3.831116       2.509316  
1 1 1 26 23 12 o 25.60927 1.313060  6.601549       0.6683041 5.958616       0.8870750 7.445443       1.016299  -2.837700      2.626120  
1 1 1 26 23 13 o 15.36962 2.329005  2.547669       0.6809855 3.327919       1.117158  2.086322       0.8590356 3.574705       4.658010  
1 1 1 26 23 14 o 10.45127 2.806357  1.129687       0.8197332 1.470631       0.9656700 0.2504050      1.550782  1.672482       5.612715  
1 1 1 26 23 15 o 10.16676 2.999698  0.8499848      1.022837  1.186457       1.276937  0.2476054      1.708561  0.8647747      5.999395  
1 1 1 26 23 16 o 6.960782 3.360598  0.000000       0.000000  ?              ?         -1.406240      1.407547  ?              ?         
1 1 1 26 24 0  o 58.89034 1.498009  35.35790       1.545006  34.13276       2.990216  35.80409       1.804546  0.000000       0.000000  
1 1 1 26 24 1  o 38.28358 1.088443  14.62203       0.8304629 13.41239       1.120301  16.09752       1.237300  -3.489262      2.176887  
1 1 1 26 24 2  o 37.96497 1.170945  14.49803       0.8623296 14.50145       1.093961  14.49241       1.401392  0.6529999E-01  2.341889  
1 1 1 26 24 3  o 14.62047 2.316896  2.346226       0.6944718 3.284636       0.9432502 1.235391       1.026255  6.704684       4.633791  
1 1 1 26 24 4  o 30.57446 1.341895  9.434214       0.8197290 8.876927       1.149698  10.01046       1.169089  -1.848949      2.683789  
1 1 1 26 24 5  o 36.20593 1.282544  13.30222       0.8802948 13.46813       1.088167  12.98800       1.497484  0.7636490      2.565088  
1 1 1 26 24 6  o 27.33010 1.300424  7.546261       0.7103932 7.542368       1.022168  7.549899       0.9879985 -0.2332687E-01 2.600848  
1 1 1 26 24 7  o 33.95455 1.192579  11.68217       0.7916577 11.88809       1.022567  11.37410       1.250729  0.8155861      2.385159  
1 1 1 26 24 8  o 14.18161 2.635682  2.216277       0.7559850 2.427315       0.9854362 1.914427       1.178541  1.642733       5.271363  
1 1 1 26 24 9  o 21.20784 2.124272  4.894094       0.8396465 5.964471       1.136328  3.606859       1.246133  5.889029       4.248544  
1 1 1 26 24 10 o 13.72921 2.879791  2.091990       0.8832707 1.346461       1.298407  2.734190       1.205075  -3.872665      5.759582  
1 1 1 26 24 11 o 15.31213 2.326761  2.505770       0.6639158 2.367324       0.8167765 2.775386       1.139819  -0.9588690     4.653522  
1 1 1 26 24 12 o 11.10026 2.596734  1.338731       0.6709458 1.421460       0.8980026 1.234189       1.009470  0.4882765      5.193467  
1 1 1 26 24 13 o 8.337031 2.507923  0.2539019      0.7198246 0.1426059      1.159852  0.3236240      0.9180110 0.3794823      5.015846  
1 1 1 26 24 14 o 15.64563 3.073314  2.626311       0.8673470 2.196976       0.9817939 4.152496       1.851084  -4.022600      6.146628  
1 1 1 26 24 15 o 12.13542 3.191642  1.853082       1.026755  2.036653       1.562234  1.713488       1.362312  0.7498541      6.383283  
1 1 1 26 24 16 o 9.350535 3.940848  0.000000       0.000000  ?              ?         0.7993193      1.259753  ?              ?         
1 1 1 26 25 0  o 38.89811 1.721785  15.34122       1.187130  15.59161       2.259310  15.24572       1.395259  0.000000       0.000000  
1 1 1 26 25 1  o 48.28036 1.079770  23.72842       1.018560  24.91456       1.326654  22.02533       1.589685  3.042862       2.159541  
1 1 1 26 25 2  o 50.22363 1.147141  25.63890       1.097748  26.22601       1.368279  24.57840       1.838952  1.737827       2.294281  
1 1 1 26 25 3  o 34.82931 1.270214  12.24057       0.8827799 12.10022       1.288759  12.36463       1.211681  -0.3974724     2.540427  
1 1 1 26 25 4  o 30.13719 1.353369  9.154733       0.8138295 8.878639       1.107253  9.479131       1.200217  -0.9711628     2.706737  
1 1 1 26 25 5  f 11.65845 2.589488  1.368603       0.6632485 1.167738       0.8560297 1.670290       1.049093  -1.839438      5.178977  
1 1 1 26 25 6  o 7.925524 2.279057  -0.3176562     0.6970371 0.9446658      0.9218521 -2.002810      1.065114  4.454498       4.558114  
1 1 1 26 25 7  o 37.85117 1.345524  15.35534       0.9272685 16.92662       1.137862  12.24884       1.599921  6.318604       2.691048  
1 1 1 26 25 8  o 31.79032 1.390050  10.56737       0.8568111 12.55981       1.161702  8.190632       1.268796  6.913227       2.780099  
1 1 1 26 25 9  o 16.32467 2.468861  2.874166       0.7828102 2.425978       1.069708  3.390919       1.148621  -2.855805      4.937723  
1 1 1 26 25 10 o 13.55828 2.614962  1.905525       0.7225659 1.417056       0.9145331 2.717026       1.178761  -4.122552      5.229924  
1 1 1 26 25 11 o 26.72421 1.474350  7.371498       0.7568874 7.547395       0.9540220 7.072733       1.243354  1.048365       2.948701  
1 1 1 26 25 12 o 11.02804 2.478044  1.104113       0.6869255 0.1864966      0.9086180 2.328224       1.049448  -6.341645      4.956087  
1 1 1 26 25 13 o 7.284277 2.308127  -0.6003708     0.7422001 -1.558613      1.034208  0.4172364      1.065762  -2.966939      4.616253  
1 1 1 26 25 14 f 13.70143 3.250436  1.811965       1.318803  4.774692       1.922254  -0.8226825     1.812701  9.864454       6.500873  
1 1 1 26 25 15 o 9.269095 4.051504  0.000000       0.000000  ?              ?         0.3698000      1.422371  ?              ?         
1 1 1 26 26 0  f 52.93182 1.528732  28.07563       1.483643  28.97200       2.705185  27.69003       1.774296  0.000000       0.000000  
1 1 1 26 26 1  o 45.74714 1.057664  21.00804       0.9659328 20.37524       1.319346  21.73907       1.418060  -1.471123      2.115327  
1 1 1 26 26 2  o 30.24384 1.368025  9.256097       0.8260959 9.616959       1.151265  8.873090       1.186064  1.239067       2.736050  
1 1 1 26 26 3  o 36.07487 1.156155  13.14829       0.8319935 13.67876       1.151575  12.56904       1.203366  1.550751       2.312310  
1 1 1 26 26 4  o 15.80391 2.368127  2.699002       0.7327849 3.119703       0.9787681 2.162427       1.105372  3.305081       4.736254  
1 1 1 26 26 5  o 36.94436 1.540664  14.31576       1.066048  12.38870       1.791913  15.37144       1.326287  -4.185005      3.081328  
1 1 1 26 26 6  o 32.80808 1.276678  10.99112       0.8156314 11.41670       1.052660  10.35179       1.290208  1.692312       2.553357  
1 1 1 26 26 7  o 24.37114 1.619356  5.808432       0.7717021 4.871107       0.9749216 7.381055       1.262807  -5.021135      3.238712  
1 1 1 26 26 8  o 16.20715 2.470025  2.864523       0.7718599 2.969360       1.022320  2.725533       1.177127  0.8830109      4.940049  
1 1 1 26 26 9  o 23.91820 2.821640  6.543348       1.003973  6.717774       1.118790  5.821989       2.275192  3.364868       5.643279  
1 1 1 26 26 10 o 19.99504 2.382204  4.255748       0.9126204 4.060220       1.171767  4.557235       1.455021  -0.6527996     4.764408  
1 1 1 26 26 11 o 19.65562 2.317745  4.358900       0.7960147 4.598908       0.9565917 3.818518       1.435370  2.830778       4.635490  
1 1 1 26 26 12 o 22.51821 1.751718  5.453350       0.7672452 5.820693       1.000612  4.929202       1.195244  2.207624       3.503436  
1 1 1 26 26 13 o 20.32735 2.926908  4.950497       0.9972539 4.934930       1.140283  5.001134       2.056600  2.129179       5.853817  
1 1 1 26 26 14 o 13.45426 3.459328  2.060171       1.234603  0.9162170      1.567549  3.929115       2.003619  -5.967411      6.918656  
1 1 1 26 26 15 o 13.64026 3.411108  2.688419       1.161904  3.355134       1.760677  2.174077       1.546449  2.389763       6.822216  
1 1 1 26 27 0  o 27.21566 2.463566  6.191132       1.103264  11.51655       2.544548  4.958223       1.224332  0.000000       0.000000  
1 1 1 26 27 1  o 31.45729 1.292347  9.994925       0.8129694 9.898580       1.138707  10.09509       1.161044  -0.3061123     2.584695  
1 1 1 26 27 2  o 29.90619 1.413523  8.941286       0.8257355 9.559635       1.336753  8.559757       1.050019  1.584877       2.827047  
1 1 1 26 27 3  o 27.95070 1.550683  7.906967       0.8550535 6.266273       1.172265  9.772243       1.249924  -6.246658      3.101366  
1 1 1 26 27 4  o 28.02572 1.438999  7.803765       0.7963508 7.062975       1.031099  8.898872       1.253664  -3.205956      2.877999  
1 1 1 26 27 5  o 16.62741 2.485372  2.976919       0.8009986 2.955172       1.132417  2.998693       1.133150  -0.1302319     4.970743  
1 1 1 26 27 6  o 45.39378 1.237117  20.66572       1.056353  20.32411       1.286293  21.37337       1.851346  -0.9709587     2.474233  
1 1 1 26 27 7  o 40.07407 1.289466  15.89564       0.9658629 15.24332       1.162863  17.34677       1.734408  -2.414879      2.578932  
1 1 1 26 27 8  o 31.26399 1.417084  9.955397       0.8785742 9.979315       1.170254  9.924501       1.330004  0.1599045      2.834167  
1 1 1 26 27 9  o 22.87435 1.792267  5.050985       0.7841084 4.277322       0.9535785 6.666235       1.377845  -4.947327      3.584534  
1 1 1 26 27 10 f 9.132553 2.768583  0.2031946      0.8339450 0.3001521      0.9807683 -0.4988302E-01 1.584538  -1.245134      5.537166  
1 1 1 26 27 11 o 20.82533 1.656347  4.141851       0.5710762 3.855426       0.6382129 5.292412       1.279130  -2.823343      3.312694  
1 1 1 26 27 12 o 10.58631 2.629924  1.075005       0.5408189 1.030747       0.5833150 1.345980       1.443349  -1.832543      5.259849  
1 1 1 26 27 13 o 16.84856 2.792307  2.809984       0.6021576 2.648786       0.6322030 4.385994       1.976771  -1.890787      5.584613  
1 1 1 26 27 14 o 11.94463 3.066100  1.274499       1.131682  -0.6986144     1.569608  3.410634       1.633162  -7.461648      6.132200  
1 1 1 26 27 15 o 12.44444 3.105722  1.329042       1.124488  4.562708       1.846959  -0.5756094     1.417482  9.450457       6.211443  
1 1 1 26 28 0  o 25.19033 2.414078  6.084212       1.077085  8.185144       2.121569  5.354683       1.250179  0.000000       0.000000  
1 1 1 26 28 1  o 32.57113 1.424237  10.82981       0.9146546 10.11574       1.388654  11.37698       1.215587  -1.988008      2.848475  
1 1 1 26 28 2  o 59.23401 1.173940  35.80950       1.362435  33.00441       2.103358  37.83720       1.788305  -4.158394      2.347879  
1 1 1 26 28 3  o 58.54788 1.106870  33.98463       1.252366  32.47202       1.564255  36.68523       2.090134  -3.468052      2.213741  
1 1 1 26 28 4  o 53.41428 1.009948  28.71003       1.071563  28.58659       1.432887  28.86666       1.614079  -0.2187614     2.019896  
1 1 1 26 28 5  o 55.65891 1.143260  31.30172       1.271869  31.73525       1.775579  30.84487       1.822738  0.8144150      2.286521  
1 1 1 26 28 6  o 28.89776 1.700660  8.505940       0.9114444 8.436548       1.098752  8.659039       1.632047  -0.1285515     3.401320  
1 1 1 26 28 7  o 15.66310 2.502404  2.752045       0.7614220 3.112822       0.9571743 2.130304       1.256539  3.412549       5.004808  
1 1 1 26 28 8  o 40.05632 1.189015  16.69081       0.8845389 17.46978       1.083177  15.13151       1.532512  3.111469       2.378030  
1 1 1 26 28 9  o 9.684874 2.575090  0.8242472      0.6338314 0.9194013      0.7360684 0.5512999      1.246647  -0.2660055     5.150179  
1 1 1 26 28 10 o 16.97765 2.188344  2.990636       0.6469160 2.820737       0.7523823 3.472431       1.266993  -0.9978580     4.376687  
1 1 1 26 28 11 o 31.35588 1.558407  8.515656       0.7222896 7.766506       0.7774561 13.23953       1.952273  -7.498478      3.116813  
1 1 1 26 28 12 f 22.76061 1.800188  5.495477       0.6800815 5.454125       0.7723966 5.638113       1.434532  0.4788475      3.600377  
1 1 1 26 28 13 o 11.11905 2.879482  1.276804       0.6484128 1.230373       0.6940245 1.595627       1.818617  -1.589634      5.758963  
1 1 1 26 28 14 o 7.330618 2.497709  -1.539451      1.087875  -1.698165      1.515053  -1.370522      1.563046  -0.4144421     4.995418  
1 1 1 26 29 0  o 47.26154 1.774611  22.54423       1.672265  22.54423       1.672265  22.54423       1.672265  0.000000       0.000000  
1 1 1 26 29 1  o 61.78432 0.9940423 38.44280       1.227411  40.00882       1.731815  36.86220       1.739855  2.548302       1.988085  
1 1 1 26 29 2  o 37.48145 1.218714  14.16906       0.9072101 14.02345       1.210745  14.35547       1.369928  -0.3968544     2.437428  
1 1 1 26 29 3  o 11.58790 3.097447  1.158272       0.9590638 0.3311807      1.829697  1.471602       1.126169  -0.8439159     6.194894  
1 1 1 26 29 4  f 15.03780 2.839719  2.420642       0.8320834 2.287140       1.013487  2.696730       1.457462  -1.091957      5.679437  
1 1 1 26 29 5  o 13.16419 2.848253  1.861248       0.8199065 1.682595       1.133853  2.057049       1.187019  -1.148569      5.696505  
1 1 1 26 29 6  o 25.91788 2.580347  7.022390       0.9645797 6.948887       1.057983  7.384399       2.347927  0.4460258      5.160695  
1 1 1 26 29 7  o 7.358526 2.218289  0.3349335E-01  0.5891273 0.4881961      0.6697073 -1.522293      1.238786  1.169498       4.436579  
1 1 1 26 29 8  o 21.81513 1.790124  4.912446       0.6727512 4.899150       0.7759264 4.952708       1.350211  0.2621193      3.580247  
1 1 1 26 29 9  o 24.83742 1.557529  6.135830       0.6661338 5.942838       0.7624836 6.757983       1.369016  -1.264849      3.115057  
1 1 1 26 29 10 o 15.80033 2.455819  3.049473       0.6627885 3.277085       0.7551501 2.285995       1.383037  3.913190       4.911638  
1 1 1 26 29 11 o 12.33451 2.746450  1.566355       0.6489889 1.397918       0.7282754 2.216028       1.430291  -2.413399      5.492900  
1 1 1 26 29 12 o 8.738490 2.695348  0.4200709      0.6553521 0.5464832      0.6915008 -0.6950582     2.053812  -1.563033      5.390696  
1 1 1 26 29 13 o 10.02691 3.065941  0.6391001      1.112251  1.003427       1.728626  0.3817061      1.452964  1.399088       6.131883  
1 1 1 26 29 14 o 11.56365 3.220564  1.776533       1.100046  2.396402       1.637759  1.267004       1.484856  2.204743       6.441129  
1 1 1 26 30 0  o 13.93847 3.205954  3.072466       1.042235  0.5001167      1.898085  4.182840       1.247054  0.000000       0.000000  
1 1 1 26 30 1  o 36.02874 1.850302  12.75242       1.156851  12.20403       1.325775  14.50243       2.368353  -2.675072      3.700604  
1 1 1 26 30 2  o 32.49633 1.355969  10.70713       0.8805665 10.52892       1.217090  10.90288       1.275586  -0.5530090     2.711939  
1 1 1 26 30 3  o 8.233099 2.531580  -0.1604550     0.7543494 -0.4224364     0.9482016 0.2912394      1.245053  -2.380816      5.063161  
1 1 1 26 30 4  o 37.45299 1.307526  14.26212       0.9762843 13.46813       1.411035  14.99127       1.352193  -2.055218      2.615053  
1 1 1 26 30 5  o 13.23656 3.362397  1.686129       1.045018  1.657430       1.218713  1.765835       2.031046  -1.310639      6.724794  
1 1 1 26 30 6  o 45.85060 1.273953  21.34989       0.9599006 21.32193       1.084211  21.45129       2.064592  0.3090935      2.547906  
1 1 1 26 30 7  o 13.38205 2.913060  1.976257       0.8563414 2.131552       1.220266  1.825567       1.202039  0.9003410      5.826119  
1 1 1 26 30 8  o 18.27935 2.326846  3.533173       0.7779051 3.425873       0.9433976 3.761113       1.375003  -0.1932373     4.653693  
1 1 1 26 30 9  o 7.677055 2.415211  -0.2296081     0.6719159 -0.4168853     0.7915740 0.2532095      1.270985  -2.891048      4.830423  
1 1 1 26 30 10 o 7.938457 2.453252  0.1102805      0.6429779 0.1488947      0.7322488 -0.1975268E-01 1.343732  -1.707785      4.906504  
1 1 1 26 30 11 o 10.12913 2.509081  1.160860       0.6427552 1.459047       0.7374693 0.2185037      1.311014  2.305778       5.018161  
1 1 1 26 30 12 o 9.511728 2.592132  0.9061098      0.6630899 1.009037       0.7734109 0.6205413      1.288252  0.7205677E-01  5.184264  
1 1 1 26 30 13 o 12.14153 3.404423  1.802924       1.251515  1.264927       1.823476  2.282041       1.720803  -1.774177      6.808846  
1 1 1 26 31 0  o 9.030628 3.748779  1.039806       1.054621  1.407782       1.864587  0.8667126      1.278832  0.000000       0.000000  
1 1 1 26 31 1  o 12.57609 2.733980  1.621216       0.7708865 1.096889       1.034904  2.274772       1.155421  -3.636880      5.467959  
1 1 1 26 31 2  o 42.74854 1.298941  18.36519       1.103364  19.86292       1.679702  17.22843       1.463358  3.001644       2.597882  
1 1 1 26 31 3  o 21.99327 2.303276  5.362031       0.9086109 5.935421       1.133441  4.330968       1.519904  4.201502       4.606552  
1 1 1 26 31 4  f 19.72141 2.217323  4.187389       0.8361530 4.648850       1.125263  3.618440       1.249463  2.989328       4.434646  
1 1 1 26 31 5  o 11.64715 2.671706  1.295192       0.6333807 1.126896       0.7271032 1.824693       1.289710  -2.675978      5.343412  
1 1 1 26 31 6  o 17.64831 2.711514  3.602839       0.7979650 3.765623       0.9019786 3.016631       1.711662  2.955971       5.423028  
1 1 1 26 31 7  o 11.81322 2.669944  1.455009       0.6797462 1.376503       0.8251484 1.620784       1.199058  -1.050912      5.339888  
1 1 1 26 31 8  o 8.920408 2.801392  -0.2044300     1.003037  0.1809718      1.471389  -0.5390106     1.370949  1.328216       5.602784  
1 1 1 26 31 9  o 23.31389 1.837491  6.126842       0.7421190 6.586298       0.8800653 4.996058       1.380649  3.982954       3.674982  
1 1 1 26 31 10 o 13.03200 2.678100  1.608863       0.6496487 1.204571       0.7361023 3.033107       1.381601  -5.344131      5.356200  
1 1 1 26 31 11 o 22.33901 2.510939  7.033824       0.8033108 8.037243       0.9173418 3.733682       1.663629  11.10991       5.021878  
1 1 1 26 31 12 o 18.29102 2.754590  4.383734       0.9666387 5.111537       1.222908  3.171766       1.578092  6.226978       5.509180  
1 1 1 26 31 13 o 10.07410 3.128727  0.7657552      1.203690  1.523092       1.855754  0.2157266      1.581497  2.120887       6.257454  
1 1 1 26 32 0  o 6.964583 3.287533  -0.9053293     1.059428  1.111232       1.963142  -1.733933      1.258402  0.000000       0.000000  
1 1 1 26 32 1  o 22.76349 1.976484  5.371848       0.8958535 4.781284       1.260828  5.973980       1.273117  -2.612139      3.952968  
1 1 1 26 32 2  o 16.25337 2.518916  2.895963       0.8298457 1.714368       1.163453  4.119607       1.183974  -7.242174      5.037832  
1 1 1 26 32 3  o 12.55913 2.834554  1.699536       0.8269020 2.190307       1.137958  1.150480       1.203637  2.896675       5.669108  
1 1 1 26 32 4  o 54.04126 1.024433  30.01900       1.044860  31.12946       1.294608  27.94408       1.769645  3.119652       2.048865  
1 1 1 26 32 5  o 12.72897 2.851392  1.677518       0.7102930 1.642711       0.7954701 1.814440       1.577690  -0.9572945     5.702784  
1 1 1 26 32 6  o 31.42604 1.476372  10.37000       0.8385205 10.76108       1.004052  9.468456       1.524463  2.339504       2.952745  
1 1 1 26 32 7  o 11.84981 3.098972  0.9726624      0.7974579 0.6059510      0.8817223 2.620820       1.869256  -6.025601      6.197943  
1 1 1 26 32 8  o 8.563665 2.450408  0.3533826      0.7247638 1.012712       0.8513629 -1.382314      1.381339  2.607254       4.900816  
1 1 1 26 32 9  o 18.17978 2.585304  3.987134       0.8935660 4.720419       1.154358  2.890862       1.411443  5.618431       5.170609  
1 1 1 26 32 10 o 17.07513 2.432622  3.226340       0.7340057 3.075777       0.8585151 3.635441       1.415154  -0.2596321     4.865244  
1 1 1 26 32 11 o 12.50666 2.843334  1.990536       0.7768346 2.141680       0.8851981 1.484099       1.620346  1.909616       5.686669  
1 1 1 26 32 12 o 9.475191 2.855160  0.5783098      0.8805400 0.4343108      1.048385  0.9231634      1.622401  -1.942758      5.710320  
1 1 1 26 33 0  o 10.60956 4.150965  1.385805       1.101230  2.806876       2.292616  0.9595922      1.255558  0.000000       0.000000  
1 1 1 26 33 1  f 23.40192 1.797598  5.710540       0.8330135 6.261567       1.142445  5.085016       1.217225  2.562593       3.595196  
1 1 1 26 33 2  o 8.810284 2.537624  0.1206750      0.7798754 1.030880       1.057461  -0.9647589     1.154773  3.467800       5.075248  
1 1 1 26 33 3  o 43.03695 1.138628  19.19485       0.9079226 19.96401       1.107347  17.61722       1.585905  2.924561       2.277256  
1 1 1 26 33 4  o 60.11957 1.043519  36.37696       1.189900  35.91982       1.462621  37.27169       2.046224  -0.8819237     2.087038  
1 1 1 26 33 5  o 13.57045 2.601639  2.178390       0.7093092 2.474832       0.8333534 1.398986       1.351267  3.223824       5.203277  
1 1 1 26 33 6  o 8.001063 2.407979  0.8939965E-01  0.7060802 0.6275304      0.8246221 -1.389142      1.366872  1.457696       4.815958  
1 1 1 26 33 7  o 11.00051 2.875183  0.5339933      0.7415509 -0.2417328E-01 0.8301879 2.737175       1.649376  -7.774876      5.750365  
1 1 1 26 33 8  o 12.81618 3.265256  1.754990       0.8685366 1.736460       0.9374701 1.867269       2.307653  -1.093429      6.530513  
1 1 1 26 33 9  o 16.51023 2.775119  4.081729       0.7911626 4.498451       0.8513960 1.445280       2.141500  8.445156       5.550238  
1 1 1 26 33 10 o 10.17608 2.959025  0.8727257      0.9668208 0.5525145      1.300336  1.268576       1.445782  -1.596420      5.918049  
1 1 1 26 33 11 o 17.60732 2.530819  3.700780       0.8758989 4.826205       1.280774  2.711955       1.200533  5.996706       5.061637  
1 1 1 26 33 12 o 13.33109 2.941997  2.617267       0.9493766 3.219216       1.172026  1.468608       1.619023  4.867448       5.883994  
1 1 1 26 34 0  o 27.77335 3.004931  8.790981       1.368153  7.931095       2.432975  9.188648       1.654540  0.000000       0.000000  
1 1 1 26 34 1  o 34.34079 1.345899  12.03479       0.9228874 12.01059       1.269256  12.06193       1.344295  -0.3409195E-01 2.691797  
1 1 1 26 34 2  o 33.83007 1.438692  11.62376       0.9655679 11.06458       1.274742  12.37643       1.478936  -1.822266      2.877384  
1 1 1 26 34 3  o 34.70671 1.304902  12.01498       0.8385159 11.61715       1.003253  12.93691       1.527244  -1.644192      2.609804  
1 1 1 26 34 4  o 9.396005 2.601870  0.6814857      0.7020403 0.9455588      0.8307638 0.2185070E-01  1.313008  0.7761993      5.203741  
1 1 1 26 34 5  o 22.71658 1.925865  5.625302       0.7705685 5.831209       0.9104906 5.105515       1.446613  2.161343       3.851731  
1 1 1 26 34 6  o 11.65820 2.546039  0.5325743      0.7541578 -0.6452270     0.8931750 3.457715       1.407583  -10.71397      5.092078  
1 1 1 26 34 7  o 11.37296 2.801292  1.375068       0.7104867 1.331676       0.8180490 1.508292       1.433400  -0.9807281     5.602585  
1 1 1 26 34 8  o 8.952520 2.600170  0.4197644      0.7073352 0.1148910      0.8586371 1.063551       1.247730  -3.045518      5.200341  
1 1 1 26 34 9  o 11.00795 3.054854  1.069068       0.7282532 0.9489661      0.7800682 1.884085       2.032080  -3.243756      6.109708  
1 1 1 26 34 10 o 11.77602 2.777832  1.767460       0.8031918 2.153549       0.9822531 0.9883860      1.395303  2.990449       5.555665  
1 1 1 26 34 11 o 12.09518 2.872446  1.904862       0.8284153 2.143916       1.138490  1.635868       1.207682  1.450355       5.744893  
1 1 1 26 35 0  o 14.52547 5.581657  3.326007       1.966760  2.952080       2.223518  4.670391       4.216081  0.000000       0.000000  
1 1 1 26 35 1  o 12.59857 2.821212  1.745906       0.7957113 1.849848       1.150634  1.650637       1.101580  0.6131601      5.642423  
1 1 1 26 35 2  o 11.01811 2.722012  1.069101       0.6765153 0.7865540      0.7913669 1.836140       1.303892  -3.692956      5.444025  
1 1 1 26 35 3  o 19.39587 2.135428  4.009077       0.7206669 3.919910       0.8473224 4.242264       1.370249  0.8168602E-01  4.270857  
1 1 1 26 35 4  o 38.10728 1.317029  14.90955       0.9432327 14.83268       1.151857  15.06601       1.643364  0.7670212E-01  2.634058  
1 1 1 26 35 5  o 9.563039 2.516479  0.8092527      0.7280743 1.442911       0.8657928 -0.7209959     1.345450  3.429610       5.032958  
1 1 1 26 35 6  o 24.43940 1.892710  6.750139       0.7984391 7.239776       0.9446736 5.525572       1.493949  4.150452       3.785419  
1 1 1 26 35 7  o 20.80493 1.926237  4.591938       0.7314572 4.465977       0.8695091 4.896863       1.352854  -0.3314362     3.852474  
1 1 1 26 35 8  o 11.57051 3.000359  1.270973       0.7785844 0.9754837      0.8778509 2.360345       1.685535  -3.885471      6.000718  
1 1 1 26 35 9  o 13.88767 2.753753  2.675166       0.8234081 3.104860       0.9437879 1.305700       1.684885  5.233062       5.507506  
1 1 1 26 35 10 o 21.01326 2.474145  5.230258       1.001391  6.126188       1.420090  4.344125       1.412304  4.538923       4.948289  
1 1 1 26 35 11 o 7.419151 2.471571  -0.6587334     0.9413092 -0.2656204     1.163836  -1.402296      1.600634  0.3972912E-01  4.943143  
1 1 1 26 36 0  o 11.09071 3.865642  2.107275       1.197906  0.3612307      2.234371  2.811585       1.419090  0.000000       0.000000  
1 1 1 26 36 1  o 27.24611 2.083198  8.088564       1.039531  7.627523       1.850245  8.301223       1.256610  -1.955275      4.166395  
1 1 1 26 36 2  o 11.77903 2.524313  1.634522       0.6801075 2.061399       0.8520823 0.8851795      1.128939  3.488373       5.048626  
1 1 1 26 36 3  o 24.78644 1.772599  6.573863       0.8228296 6.725616       1.011034  6.276176       1.416044  1.368452       3.545199  
1 1 1 26 36 4  o 7.780113 2.457135  -0.1244142     0.7206935 -0.1056827     0.8576550 -0.1694202     1.329421  -1.486246      4.914269  
1 1 1 26 36 5  o 20.44425 2.206585  4.861799       0.7750076 5.254251       0.9334396 3.990928       1.390497  4.034472       4.413169  
1 1 1 26 36 6  o 16.80327 2.477436  3.236536       0.7745789 3.204963       0.9448065 3.301257       1.352717  0.7979393      4.954872  
1 1 1 26 36 7  o 17.52544 2.708211  3.431175       0.7859919 3.250519       0.8819067 4.128820       1.733058  -0.3080730     5.416423  
1 1 1 26 36 8  o 12.12949 2.959658  1.819913       0.8267702 1.909489       0.9491150 1.538099       1.683463  0.8596201      5.919317  
1 1 1 26 36 9  o 22.79330 2.084241  5.804077       0.9005333 5.774735       1.114603  5.859237       1.528236  0.6465244      4.168482  
1 1 1 26 36 10 o 9.674346 2.838650  0.9319968      0.9127945 1.282036       1.268995  0.5567161      1.313952  1.316561       5.677300  
1 1 1 26 37 0  o 27.53896 2.651822  8.040336       1.435600  8.040336       1.435600  8.040336       1.435600  0.000000       0.000000  
1 1 1 26 37 1  o 18.82403 2.152752  3.465309       0.7464378 2.706934       0.8865747 5.311723       1.383369  -6.417385      4.305503  
1 1 1 26 37 2  o 26.83713 1.586005  7.320877       0.7918350 6.952097       0.9488928 8.166635       1.436999  -1.751524      3.172010  
1 1 1 26 37 3  o 9.375820 2.694308  0.5967478      0.7743517 0.4159296      0.9926639 0.8778087      1.237603  -1.593022      5.388616  
1 1 1 26 37 4  o 17.75581 2.464052  3.913910       0.7498211 4.286485       0.8809019 2.933944       1.428649  4.890084       4.928103  
1 1 1 26 37 5  o 10.23961 2.729665  1.087979       0.7634648 1.350394       0.9097782 0.4632053      1.403793  1.273428       5.459329  
1 1 1 26 37 6  o 27.78769 2.026321  7.869020       1.031991  6.981075       1.210415  10.23259       1.974813  -4.487011      4.052643  
1 1 1 26 37 7  o 18.79254 2.614753  4.002181       0.8186698 3.811945       0.9308013 4.652122       1.720475  -0.2403259E-01 5.229505  
1 1 1 26 37 8  o 17.18729 2.851103  3.669231       0.9311148 3.534254       1.155574  3.919076       1.572184  0.3535461E-01  5.702207  
1 1 1 26 37 9  o 15.96448 3.051693  3.621581       1.022867  4.170723       1.356871  2.898741       1.556744  3.971522       6.103385  
1 1 1 26 38 0  o 9.690954 4.084268  1.437942       1.183689  1.588291       2.665664  1.401015       1.321079  0.000000       0.000000  
1 1 1 26 38 1  o 19.30828 2.236045  3.975559       0.8371425 3.535419       1.042261  4.775696       1.405282  -2.594481      4.472091  
1 1 1 26 38 2  o 24.20358 2.310790  6.769947       0.8757516 6.947544       0.9982503 6.176617       1.824608  3.260004       4.621580  
1 1 1 26 38 3  o 24.25600 1.980563  6.586668       0.8824726 6.981915       1.081486  5.799158       1.526562  3.098475       3.961126  
1 1 1 26 38 4  o 17.98241 2.536353  3.813181       0.8019212 3.877905       0.9453064 3.647042       1.514528  2.073969       5.072707  
1 1 1 26 38 5  o 13.82613 2.853197  2.312315       0.7866240 2.179013       0.9343165 2.636838       1.457804  -0.6401615     5.706394  
1 1 1 26 38 6  o 9.604180 2.832786  0.7440934      0.8490862 0.8909638      0.9795369 0.3002116      1.702893  -0.3042355     5.665572  
1 1 1 26 38 7  o 14.67512 3.676289  2.825285       1.298703  4.377072       2.248999  2.048957       1.590728  4.217077       7.352578  
1 1 1 26 38 8  o 8.611761 2.712090  0.1907529      0.9605076 0.6157973      1.270776  -0.3756736     1.466978  0.9867849      5.424180  
1 1 1 26 39 0  o 18.73508 4.303168  5.166252       1.399158  4.909473       2.433604  5.293038       1.710043  0.000000       0.000000  
1 1 1 26 39 1  o 7.204321 2.329912  -0.4305354     0.7581351 -0.3764572E-01 0.9571027 -1.092230      1.242087  0.4746666      4.659824  
1 1 1 26 39 2  o 10.10585 2.731528  1.045182       0.7250008 1.073037       0.8521880 0.9721927      1.379464  -0.4913816     5.463057  
1 1 1 26 39 3  o 13.55612 2.759049  2.398751       0.7868090 2.664716       0.9303194 1.730596       1.474546  3.185614       5.518098  
1 1 1 26 39 4  o 27.97966 2.949731  8.889171       0.9475208 8.713318       1.000649  10.41454       2.947101  1.955463       5.899462  
1 1 1 26 39 5  o 15.49210 2.798962  3.799128       0.9040328 4.304987       0.9704304 0.4773712      2.486760  8.876409       5.597924  
1 1 1 26 39 6  o 20.33871 3.101387  5.573823       0.9782983 5.731962       1.078615  4.840337       2.322966  5.490498       6.202773  
1 1 1 26 39 7  o 9.728787 2.864174  0.7227741      0.9040092 0.1307552      1.129400  1.778427       1.508136  -3.538492      5.728349  
1 1 1 26 40 0  o 29.99678 2.055825  9.750813       1.169538  9.818279       1.483254  9.639924       1.901560  0.000000       0.000000  
1 1 1 26 40 1  o 12.14674 2.838089  1.839205       0.7894828 1.954482       0.9593478 1.597337       1.389610  1.087067       5.676178  
1 1 1 26 40 2  o 15.75894 2.705806  3.218127       0.8309605 3.529954       0.9930750 2.489981       1.517521  4.230435       5.411612  
1 1 1 26 40 3  o 25.56820 2.193121  8.037620       0.8911047 8.744290       1.043532  6.134738       1.712391  6.683783       4.386242  
1 1 1 26 40 4  o 16.55750 3.032594  3.380727       0.9660444 2.984650       1.175637  4.204187       1.695137  -2.086808      6.065188  
1 1 1 26 40 5  o 9.109010 2.731734  0.3802978      0.9754112 1.274176       1.091984  -3.148548      2.169669  2.714213       5.463467  
1 1 1 26 40 6  o 9.600454 2.860648  0.8906395      0.9305712 1.102627       1.141107  0.4697584      1.607872  0.4683704      5.721297  
1 1 1 26 41 0  o 6.962164 3.126384  0.3841305      0.9582304 0.9940151      1.323305  -0.2881923     1.389393  0.000000       0.000000  
1 1 1 26 41 1  o 10.76341 2.877673  1.306559       0.8001277 1.367931       0.9300821 1.131818       1.569408  -0.2618599E-01 5.755346  
1 1 1 26 41 2  o 9.684858 2.800687  0.7606260      0.9134334 1.348783       1.150481  -0.2424176     1.502425  2.196076       5.601375  
1 1 1 26 41 3  o 12.45566 3.055039  1.947971       0.8814806 1.707291       1.063779  2.475330       1.574650  -1.657003      6.110077  
1 1 1 26 41 4  f 12.40928 3.240787  2.187551       1.037887  2.148131       1.277047  2.264252       1.781325  0.7707500E-01  6.481574  
1 1 1 26 41 5  o 8.170939 2.656022  -0.2194209     0.9423981 -0.5563867     1.168509  0.4075740      1.593937  -2.194466      5.312045  
1 1 1 26 42 0  o 10.62727 3.571578  2.104272       1.194244  3.250576       1.421674  -0.6437151     2.201189  0.000000       0.000000  
1 1 1 26 42 1  o 9.130560 2.902335  0.5005826      0.9284143 0.7006406      1.000107  -0.7466278     2.497115  -0.7842188     5.804669  
1 1 1 26 42 2  o 9.840151 2.895675  0.9205065      1.010876  1.626079       1.279919  -0.2493396     1.648072  2.523988       5.791351  
1 1 1 26 42 3  o 18.30954 2.989488  4.694138       1.089300  5.260825       1.398415  3.819724       1.737093  5.168190       5.978976  
1 1 1 27 0  1  o 28.15808 2.813249  8.179371       1.555567  8.179371       1.555567  8.179371       1.555567  0.000000       0.000000  
1 1 1 27 0  2  o 16.88088 4.122572  3.993165       1.261868  2.984197       2.366752  4.393891       1.491549  0.000000       0.000000  
1 1 1 27 0  3  o 5.618671 2.750998  -1.113495      1.015926  -0.3723354     1.408333  -1.917617      1.466932  0.000000       0.000000  
1 1 1 27 0  4  o 32.82984 3.556332  12.76338       1.454461  13.37625       1.604644  9.941381       3.443289  0.000000       0.000000  
1 1 1 27 0  5  o 18.39446 3.404616  3.926987       1.067881  3.422721       1.375869  4.691026       1.693576  0.000000       0.000000  
1 1 1 27 0  6  o 47.51345 1.436599  22.52089       1.344113  21.38009       1.753833  24.14465       2.092396  0.000000       0.000000  
1 1 1 27 0  7  o 17.57349 3.284536  3.902178       0.6476169 3.966235       0.6879960 3.404020       1.918605  0.000000       0.000000  
1 1 1 27 0  8  o 7.998192 3.679432  -0.1278620     1.425547  -1.497545      2.285975  0.7437382      1.823560  0.000000       0.000000  
1 1 1 27 0  9  o 66.31335 1.867559  43.95285       2.433670  47.07919       3.824592  41.82568       3.154775  0.000000       0.000000  
1 1 1 27 0  10 o 21.25086 5.543914  5.434941       2.031775  5.434941       2.031775  5.434941       2.031775  0.000000       0.000000  
1 1 1 27 0  11 o 12.37389 4.599239  2.345851       1.463412  2.524196       2.349528  2.232809       1.870562  0.000000       0.000000  
1 1 1 27 0  12 o 20.08252 4.226410  5.475467       1.504410  4.063123       2.441119  6.340362       1.910294  0.000000       0.000000  
1 1 1 27 0  13 o 22.67499 6.582900  6.586663       2.588030  6.586663       2.588030  6.586663       2.588030  0.000000       0.000000  
1 1 1 27 0  14 o 13.38177 6.111075  2.771161       1.766661  2.771161       1.766661  2.771161       1.766661  0.000000       0.000000  
1 1 1 27 0  15 o 12.80551 4.777973  2.599725       1.535738  3.324304       2.674959  2.243473       1.875657  0.000000       0.000000  
1 1 1 27 0  16 o 12.87120 4.404454  0.3431188E-01  1.713199  6.608269       3.030032  -3.054828      2.077077  0.000000       0.000000  
1 1 1 27 0  17 o 22.31180 7.343401  7.496282       2.897861  7.496282       2.897861  7.496282       2.897861  0.000000       0.000000  
1 1 1 27 0  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 0  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 1  0  o 140.8075 1.811639  198.5746       5.093440  203.6597       7.394847  193.9844       7.025743  0.000000       0.000000  
1 1 1 27 1  1  o 84.88872 1.056320  71.95866       1.790362  69.12115       2.446667  75.22944       2.626832  -3.590958      2.112640  
1 1 1 27 1  2  o 12.62676 2.591829  1.621310       0.7986913 2.624202       1.028955  0.1011283      1.266826  6.451295       5.183658  
1 1 1 27 1  3  o 16.19164 2.143063  2.695864       0.6764863 2.533819       0.9916229 2.836932       0.9252178 -1.231048      4.286126  
1 1 1 27 1  4  o 32.06134 1.392030  10.09090       0.8720064 9.372814       1.103966  11.28220       1.421933  -2.957338      2.784060  
1 1 1 27 1  5  o 27.70318 1.413217  7.709642       0.7819740 8.011748       1.093527  7.393491       1.118657  1.117899       2.826434  
1 1 1 27 1  6  o 15.49995 2.412616  2.533144       0.7283945 2.276432       1.051324  2.770128       1.010122  -1.581968      4.825232  
1 1 1 27 1  7  o 22.27449 1.342884  5.118277       0.5449963 4.642239       0.9789284 5.332094       0.6560724 -1.581606      2.685768  
1 1 1 27 1  8  o 38.93056 1.527464  15.28101       1.186432  16.46106       1.675275  14.09363       1.680473  3.041363       3.054928  
1 1 1 27 1  9  o 20.64315 3.366752  4.334362       1.390007  4.334362       1.390007  ?              ?         ?              ?         
1 1 1 27 1  10 o 27.80138 2.234990  7.770311       1.227705  8.516322       1.921044  7.255262       1.596207  2.172575       4.469980  
1 1 1 27 1  11 o 28.08224 1.950028  8.044114       1.094668  7.764165       1.549549  8.323015       1.546645  -0.9960613     3.900057  
1 1 1 27 1  12 o 28.80161 1.955499  8.525915       1.099423  10.98640       1.594248  6.294634       1.518178  8.114338       3.910999  
1 1 1 27 1  13 o 42.48741 2.391593  18.82022       2.026778  19.09538       2.780405  18.50821       2.960676  0.8015060      4.783185  
1 1 1 27 1  14 o 9.842526 3.086777  -0.3355744     1.211358  -0.1168156     1.702432  -0.5599136     1.724010  0.5326214      6.173554  
1 1 1 27 1  15 o 17.45533 3.134970  3.452932       1.111215  2.611578       1.507250  4.454762       1.644724  -4.686710      6.269941  
1 1 1 27 1  16 o 25.59369 2.615586  7.324187       1.334121  7.593133       1.839581  7.025784       1.937706  1.261559       5.231171  
1 1 1 27 1  17 o 13.63093 4.059412  1.907580       1.916736  3.238136       2.819374  0.7641167      2.613648  3.200174       8.118823  
1 1 1 27 1  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 1  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 2  0  o 132.9906 1.741345  176.5509       4.610386  185.7242       6.888784  169.1088       6.204859  0.000000       0.000000  
1 1 1 27 2  1  o 48.72678 1.406345  23.52891       1.306277  14.87666       1.737340  34.78193       1.981321  -20.41345      2.812689  
1 1 1 27 2  2  f 22.74327 1.931621  5.228188       0.8712403 5.943412       1.223693  4.492917       1.240723  3.190071       3.863241  
1 1 1 27 2  3  o 52.34370 0.9816594 27.48746       1.022915  28.09447       1.390354  26.77119       1.510322  1.268791       1.963319  
1 1 1 27 2  4  o 28.10469 1.728653  7.913284       0.9650190 9.252388       1.402368  6.708837       1.329992  4.519333       3.457306  
1 1 1 27 2  5  o 65.25145 1.010834  42.48021       1.286593  43.40667       2.071867  41.89871       1.641430  1.130272       2.021667  
1 1 1 27 2  6  o 88.14041 1.051824  77.66956       1.848737  80.04793       2.737395  75.67499       2.506814  2.464836       2.103648  
1 1 1 27 2  7  o 42.83309 1.101681  17.99026       0.7993952 19.16766       1.676530  17.64381       0.9094334 1.713047       2.203362  
1 1 1 27 2  8  f 57.66217 1.281114  33.41520       1.475207  35.78794       2.098940  31.09896       2.073802  4.062714       2.562228  
1 1 1 27 2  9  o 22.86377 2.483877  5.635711       1.054574  7.233132       1.448971  3.836487       1.537774  7.764507       4.967754  
1 1 1 27 2  10 o 38.84385 1.842360  14.69442       1.402607  19.40224       2.237493  11.64686       1.800229  9.876823       3.684719  
1 1 1 27 2  11 o 43.96909 1.495682  18.90546       1.284369  16.73951       1.617901  22.59652       2.112051  -6.524887      2.991363  
1 1 1 27 2  12 o 23.03894 2.413458  5.327415       1.094111  4.577994       1.402914  6.490857       1.747995  -3.975706      4.826916  
1 1 1 27 2  13 o 20.02320 4.186544  4.693990       1.869030  6.006766       2.533945  3.127560       2.767944  5.595892       8.373088  
1 1 1 27 2  14 o 15.15686 3.424145  2.384363       1.303814  3.907432       1.787657  0.6534263      1.905746  6.781655       6.848289  
1 1 1 27 2  15 o 9.956223 3.035964  0.1314044      1.107173  0.4280282      1.530660  -0.1940946     1.603432  0.7559309      6.071928  
1 1 1 27 2  16 o 14.45139 3.551259  2.391470       1.277568  1.549735       1.697249  3.491904       1.940617  -4.197775      7.102519  
1 1 1 27 2  17 o 18.24677 4.282558  4.958446       1.860757  5.957970       2.629360  3.955649       2.633660  3.724653       8.565117  
1 1 1 27 2  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 2  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 3  0  o 62.67719 1.491688  39.11184       1.801507  38.15001       2.258051  40.79612       2.988059  0.000000       0.000000  
1 1 1 27 3  1  o 77.07657 1.000743  59.13351       1.520205  57.57486       1.975707  61.39555       2.380124  -2.463684      2.001486  
1 1 1 27 3  2  o 120.3648 1.231039  145.0668       2.932092  144.7941       3.873295  145.4329       4.487350  -0.2366104     2.462079  
1 1 1 27 3  3  o 92.53812 1.047606  85.51949       1.914621  84.36125       2.508556  87.13568       2.963260  -1.479454      2.095213  
1 1 1 27 3  4  o 47.26871 1.111254  21.42329       1.013973  19.00350       1.252049  26.03487       1.728452  -7.412262      2.222508  
1 1 1 27 3  5  o 76.38004 1.021659  59.11753       1.432982  56.72129       2.579630  60.18697       1.723335  -2.319618      2.043319  
1 1 1 27 3  6  o 15.74024 2.161436  2.913170       0.6230096 1.518017       1.034964  3.706009       0.7802013 -6.948427      4.322873  
1 1 1 27 3  7  o 20.73002 1.488586  4.015670       0.5880672 5.363330       1.044012  3.389372       0.7117143 4.720005       2.977172  
1 1 1 27 3  8  o 87.77538 1.349327  77.04308       2.339025  75.01315       3.056161  79.91348       3.634185  -2.713287      2.698655  
1 1 1 27 3  9  o 28.49358 1.963474  8.228349       1.111015  8.335670       1.491195  8.094444       1.665670  0.4603062      3.926948  
1 1 1 27 3  10 o 31.93738 2.098386  10.16148       1.326841  12.09982       2.053299  8.771774       1.738594  5.122402       4.196772  
1 1 1 27 3  11 o 21.50223 2.473325  4.616771       1.017874  3.638793       1.295481  6.194539       1.645463  -6.064293      4.946650  
1 1 1 27 3  12 o 16.13154 3.134042  2.785094       1.032544  2.437917       1.346971  3.279815       1.607914  -2.269009      6.268085  
1 1 1 27 3  13 o 22.37364 3.767492  4.535645       1.666004  2.265543       1.977851  10.08057       3.091141  -14.95717      7.534985  
1 1 1 27 3  14 o 12.80991 3.458601  1.442198       1.227123  1.565266       1.623132  1.278013       1.874768  0.1467419      6.917202  
1 1 1 27 3  15 o 10.71762 3.019528  0.2657974E-01  1.073742  -1.350391      1.382231  2.121954       1.705097  -6.523641      6.039055  
1 1 1 27 3  16 o 14.51905 3.049588  1.934153       1.162106  -0.2462156     1.540585  4.812760       1.770157  -10.87185      6.099176  
1 1 1 27 3  17 o 12.17747 3.849481  0.4630437      1.926325  -0.8699086     2.539667  2.268774       2.955942  -3.610010      7.698961  
1 1 1 27 3  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 3  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 4  0  o 29.14220 2.253746  8.591272       1.257032  7.838297       1.589703  9.847624       2.053435  0.000000       0.000000  
1 1 1 27 4  1  o 66.72211 0.9645829 44.87427       1.277973  40.83663       1.864822  48.44970       1.754841  -5.709000      1.929166  
1 1 1 27 4  2  o 77.29228 1.084360  59.62556       1.671594  62.29017       2.476810  57.39661       2.265305  3.156693       2.168720  
1 1 1 27 4  3  o 50.46918 1.069818  25.47871       1.079216  24.69919       1.495178  26.32655       1.559326  -1.609325      2.139637  
1 1 1 27 4  4  o 32.31042 1.114024  10.50894       0.7122964 10.07805       1.076550  10.84445       0.9499625 -1.192959      2.228048  
1 1 1 27 4  5  o 30.39295 1.121696  9.341615       0.6449577 8.994474       1.098564  9.524199       0.7967156 -0.8919353     2.243392  
1 1 1 27 4  6  o 16.68156 1.947997  2.911732       0.5823210 2.691297       1.028743  3.015663       0.7063828 -1.301565      3.895994  
1 1 1 27 4  7  o 20.34549 1.494250  4.132680       0.5545872 4.232925       1.026303  4.091336       0.6591046 0.3019295      2.988501  
1 1 1 27 4  8  o 54.20252 1.194342  28.60453       1.168868  27.48971       1.370231  31.58355       2.239903  -3.672443      2.388684  
1 1 1 27 4  9  o 25.57051 2.230176  6.787451       1.113211  8.067541       1.529672  5.346190       1.623115  5.343727       4.460351  
1 1 1 27 4  10 o 42.07844 1.795014  18.35501       1.473598  14.92376       2.191024  21.18903       1.991237  -7.492352      3.590029  
1 1 1 27 4  11 o 21.58918 2.526886  5.098887       1.018623  6.050252       1.350357  3.842787       1.551626  5.530792       5.053773  
1 1 1 27 4  12 o 12.02940 3.262238  0.9472679      1.197652  -0.5958864     1.894132  1.975174       1.545903  -3.759331      6.524475  
1 1 1 27 4  13 o 19.83229 4.264625  4.435600       1.775488  4.023957       2.196012  5.212582       3.017033  -2.190836      8.529249  
1 1 1 27 4  14 o 20.10640 3.229817  4.612927       1.359613  6.774188       1.910970  2.397385       1.934819  10.25214       6.459633  
1 1 1 27 4  15 o 12.18653 3.285167  1.251585       1.123739  0.6897773      1.497880  1.974878       1.699574  -2.944022      6.570333  
1 1 1 27 4  16 o 13.97309 3.448805  2.326297       1.176864  2.303523       1.535302  2.358743       1.832546  -0.1862707     6.897610  
1 1 1 27 4  17 o 19.78982 4.513179  6.094026       2.065602  7.036846       2.907444  5.133146       2.935157  3.493666       9.026358  
1 1 1 27 4  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 4  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 5  0  o 86.66306 1.325373  75.23228       2.291671  76.16645       3.338387  74.39979       3.151507  0.000000       0.000000  
1 1 1 27 5  1  o 92.51357 1.365857  85.78006       2.525877  89.22739       3.579809  82.36217       3.564500  3.709595       2.731715  
1 1 1 27 5  2  o 9.027287 2.474552  0.6023626E-01  0.7713003 1.229847       0.9981902 -1.672869      1.215081  4.635950       4.949103  
1 1 1 27 5  3  o 49.28269 1.164536  0.000000       0.000000  ?              ?         24.30839       1.147830  ?              ?         
1 1 1 27 5  4  o 76.39467 1.034196  56.66308       1.397167  62.29431       2.767475  54.73686       1.618580  4.885704       2.068391  
1 1 1 27 5  5  o 19.54254 1.696486  4.051623       0.6073855 3.266076       1.041640  4.456319       0.7476463 -3.075460      3.392973  
1 1 1 27 5  6  o 21.76680 1.469624  4.906716       0.5910398 4.351475       1.028905  5.180163       0.7220571 -1.932529      2.939247  
1 1 1 27 5  7  o 32.84210 1.037925  10.72659       0.6483306 11.10013       1.112076  10.53426       0.7979664 0.8328094      2.075851  
1 1 1 27 5  8  o 75.55567 1.749422  57.34114       2.643575  57.34114       2.643575  ?              ?         ?              ?         
1 1 1 27 5  9  o 43.49046 1.453544  18.99302       1.253671  18.67129       1.661990  19.41776       1.909604  -0.8173790     2.907087  
1 1 1 27 5  10 o 18.04741 2.758896  3.090629       0.9821941 1.915975       1.224074  5.214104       1.645796  -8.979392      5.517792  
1 1 1 27 5  11 o 13.53468 3.721757  0.1472576      1.212957  -0.6157351     1.335384  3.745369       2.899902  -10.38219      7.443513  
1 1 1 27 5  12 o 15.60554 3.481647  2.647820       1.210220  2.177256       1.994995  2.921816       1.522317  -1.449847      6.963295  
1 1 1 27 5  13 f 33.18727 3.249821  10.45464       1.904333  8.981653       2.171280  15.36447       3.964150  -7.995012      6.499642  
1 1 1 27 5  14 o 27.77277 2.482503  8.160606       1.377484  8.631975       1.960228  7.700767       1.936108  1.656584       4.965007  
1 1 1 27 5  15 o 11.47280 3.168731  1.048869       1.082356  1.559478       1.401606  0.2945531      1.703563  1.832972       6.337462  
1 1 1 27 5  16 o 30.67144 2.213054  10.37022       1.332580  11.58427       1.807248  8.923695       1.972710  4.563578       4.426108  
1 1 1 27 5  17 o 12.06517 3.807190  0.7508503      1.890380  -0.7723451E-02 2.842545  1.352376       2.531254  -1.000869      7.614380  
1 1 1 27 5  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 5  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 6  0  o 128.3604 1.700397  165.2278       4.359948  164.2002       6.248105  166.2031       6.086852  0.000000       0.000000  
1 1 1 27 6  1  o 96.27344 1.051509  92.48567       2.005396  95.03058       3.072881  90.59772       2.646713  2.284470       2.103017  
1 1 1 27 6  2  o 46.19712 1.009045  21.34038       0.9315419 20.19622       1.293889  22.57164       1.342239  -2.568924      2.018090  
1 1 1 27 6  3  o 31.87159 1.327448  11.36840       0.7255831 7.718414       1.310743  12.98107       0.8712520 -8.280714      2.654896  
1 1 1 27 6  4  o 40.87980 1.092658  17.21444       0.8407536 15.27472       1.413263  18.27695       1.045976  -3.693565      2.185315  
1 1 1 27 6  5  o 30.09547 1.094123  8.802921       0.6369837 10.13785       1.072616  8.075643       0.7917085 3.406174       2.188246  
1 1 1 27 6  6  o 44.39334 0.8855150 19.41897       0.7519466 20.81293       1.284047  18.69144       0.9276474 2.367851       1.771030  
1 1 1 27 6  7  o 34.31085 0.9790170 11.53665       0.6277713 12.54033       1.127787  11.08604       0.7556645 2.086075       1.958034  
1 1 1 27 6  8  o 41.11272 1.243644  16.34803       0.9612744 15.23753       1.157320  18.81867       1.726230  -4.281624      2.487289  
1 1 1 27 6  9  o 7.771694 2.409361  -0.1900548     0.6723313 -0.2329345     0.8162147 -0.9955537E-01 1.185772  -1.784176      4.818721  
1 1 1 27 6  10 o 12.69963 3.175591  1.482647       0.9670696 1.471751       1.181787  1.504731       1.682519  -0.9435978     6.351182  
1 1 1 27 6  11 o 13.53395 3.416095  1.898299       1.102526  2.434260       1.167469  -2.521010      3.352402  2.959311       6.832189  
1 1 1 27 6  12 o 20.37739 3.198756  4.613767       1.277527  3.606810       1.830055  5.570904       1.784209  -4.709133      6.397513  
1 1 1 27 6  13 o 45.78671 1.955517  21.58043       1.772840  21.79477       2.708610  21.41980       2.344888  0.2083817      3.911033  
1 1 1 27 6  14 f 17.48955 3.671809  3.339198       1.315101  2.801865       1.602304  4.448308       2.302029  -3.591373      7.343618  
1 1 1 27 6  15 o 30.01509 2.078564  9.050434       1.206239  8.026611       1.493739  10.96951       2.045071  -4.457087      4.157129  
1 1 1 27 6  16 o 12.66080 3.391731  1.684675       1.183406  1.182082       1.576338  2.333755       1.791392  -2.513840      6.783463  
1 1 1 27 6  17 o 18.65555 4.166176  4.667704       2.066117  8.975398       3.067362  1.090020       2.795398  12.22309       8.332352  
1 1 1 27 6  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 7  0  o 13.87394 3.469161  2.716641       0.9553028 1.698060       1.514594  3.389558       1.231059  0.000000       0.000000  
1 1 1 27 7  1  o 69.72018 0.9264475 48.62043       1.288736  49.18721       1.894217  48.13198       1.758444  0.7515259      1.852895  
1 1 1 27 7  2  o 37.91465 1.040748  14.34540       0.7854880 14.88176       1.177780  13.91573       1.054166  1.268276       2.081496  
1 1 1 27 7  3  o 32.11768 1.260240  10.22009       0.7244511 10.60377       1.388770  10.07666       0.8491386 0.7876606      2.520480  
1 1 1 27 7  4  o 54.92545 1.088274  0.000000       0.000000  ?              ?         30.19786       1.195478  ?              ?         
1 1 1 27 7  5  o 26.69606 1.227539  7.155012       0.6228562 7.119501       1.059741  7.173752       0.7698637 -0.1245232     2.455078  
1 1 1 27 7  6  o 21.99556 1.436229  5.041481       0.5972155 4.238400       0.9772356 5.520206       0.7545058 -2.936449      2.872458  
1 1 1 27 7  7  o 29.14917 1.106856  8.805394       0.6024347 7.698862       1.023904  9.391274       0.7450420 -2.931351      2.213713  
1 1 1 27 7  8  o 19.08440 1.774746  3.650674       0.6699730 3.512113       0.8774704 3.844373       1.037471  -0.8406467     3.549493  
1 1 1 27 7  9  o 32.62646 1.773844  11.67519       1.005809  8.810189       1.840384  12.89538       1.201045  -6.391119      3.547687  
1 1 1 27 7  10 o 18.20052 2.924092  3.611737       0.9993473 3.737795       1.228444  3.365071       1.718404  1.229090       5.848183  
1 1 1 27 7  11 o 27.55378 3.294050  7.678411       1.201587  7.491694       1.287605  8.937486       3.343611  -0.8059406     6.588099  
1 1 1 27 7  12 o 24.97414 2.680843  6.518701       1.338138  6.791360       1.894293  6.247121       1.890540  1.087387       5.361687  
1 1 1 27 7  13 o 18.31717 3.095458  3.659325       1.068482  3.493057       1.303120  4.000441       1.866517  -0.8724957     6.190916  
1 1 1 27 7  14 o 21.84957 2.937298  5.516670       1.131202  5.860884       1.352341  4.714674       2.064227  3.710127       5.874596  
1 1 1 27 7  15 o 9.641550 2.987992  -0.3380673E-01 1.060457  -0.2267951E-01 1.321650  -0.5391847E-01 1.776839  -1.258102      5.975983  
1 1 1 27 7  16 f 35.68955 1.901812  13.26505       1.316098  12.26503       1.645617  15.03990       2.192327  -3.191536      3.803623  
1 1 1 27 7  17 o 22.73619 4.423224  7.757149       2.096694  6.686730       2.946601  8.854988       2.984102  -4.025084      8.846448  
1 1 1 27 7  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 8  0  o 17.29125 3.069166  4.757148       0.8338436 1.744848       1.678991  5.743362       0.9606935 0.000000       0.000000  
1 1 1 27 8  1  o 34.41697 1.108434  11.81108       0.7608446 13.11559       1.114959  10.67421       1.040853  3.543133       2.216869  
1 1 1 27 8  2  o 12.77685 2.503106  1.665432       0.6545643 1.905621       1.020710  1.497660       0.8530700 1.491035       5.006211  
1 1 1 27 8  3  o 53.62512 0.9871962 29.23447       0.9780250 27.64732       1.735064  29.97363       1.184062  -2.197514      1.974392  
1 1 1 27 8  4  o 48.88917 1.022009  24.47370       0.9180130 22.58487       1.633593  25.34551       1.109831  -2.855991      2.044018  
1 1 1 27 8  5  o 28.70347 1.169194  8.222890       0.6480600 8.400309       1.070961  8.120394       0.8140082 0.4680977      2.338388  
1 1 1 27 8  6  o 20.91086 1.431293  4.213191       0.5819249 5.170881       0.9722326 3.678558       0.7264170 3.540171       2.862587  
1 1 1 27 8  7  o 50.29558 0.8406345 25.49017       0.8051148 24.86771       1.357570  25.82788       0.9999422 -0.9833794     1.681269  
1 1 1 27 8  8  o 38.91728 1.239298  15.24826       0.9616205 14.71765       1.401441  15.72036       1.321914  -1.298634      2.478595  
1 1 1 27 8  9  o 80.60181 1.140869  65.19419       1.827402  65.96615       2.750952  64.58452       2.444739  0.8123093      2.281738  
1 1 1 27 8  10 o 19.40809 1.450058  3.515661       0.5326676 2.973207       0.6395525 4.744092       0.9624314 -4.478891      2.900116  
1 1 1 27 8  11 o 11.41230 4.009272  1.235777       1.136925  1.235777       1.136925  ?              ?         ?              ?         
1 1 1 27 8  12 o 8.291664 2.683531  -0.6488878     0.9194922 -0.4348943     1.083775  -1.198640      1.737089  -1.340852      5.367062  
1 1 1 27 8  13 o 44.17618 1.606724  19.33616       1.363489  17.93173       1.681250  22.03485       2.330549  -4.343590      3.213448  
1 1 1 27 8  14 o 19.33878 2.993143  4.102730       1.053508  4.014407       1.246870  4.323114       1.969583  0.3459187      5.986286  
1 1 1 27 8  15 o 15.22558 3.304255  2.576542       1.041054  2.488352       1.241346  2.785620       1.911343  -0.7456226     6.608510  
1 1 1 27 8  16 o 10.43438 3.089131  0.5945606      1.052670  0.1653285      1.323472  1.333744       1.736781  -2.825517      6.178261  
1 1 1 27 8  17 o 12.91665 3.818829  1.278235       1.772165  3.606297       2.594412  -0.7581486     2.426451  5.448880       7.637658  
1 1 1 27 8  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 9  0  o 14.24286 3.388298  2.761462       0.8122999 2.257487       1.705544  2.909319       0.9238040 0.000000       0.000000  
1 1 1 27 9  1  o 37.79552 0.9695949 13.78403       0.7176136 16.98574       1.169665  11.85144       0.9087410 6.780010       1.939190  
1 1 1 27 9  2  o 53.22534 0.8946671 28.15440       0.9408279 29.65713       1.463974  27.09710       1.227983  2.393974       1.789334  
1 1 1 27 9  3  o 26.79548 1.505781  7.510741       0.7703531 5.932563       1.204411  8.603371       1.002151  -5.000971      3.011562  
1 1 1 27 9  4  o 27.56774 1.228241  7.652046       0.6625248 7.466727       1.045259  7.776495       0.8565664 -0.5767841     2.456483  
1 1 1 27 9  5  o 60.46494 0.8446258 36.68554       0.9973224 36.25413       1.587834  36.96662       1.281690  -0.6064034     1.689252  
1 1 1 27 9  6  o 29.56588 1.202331  8.767246       0.7104817 8.908526       1.026923  8.637529       0.9839966 0.4538040      2.404662  
1 1 1 27 9  7  o 24.55206 1.218272  5.839508       0.5666141 6.713775       1.001571  5.428001       0.6871435 2.580040       2.436545  
1 1 1 27 9  8  o 29.31703 1.511702  8.696678       0.8814330 8.130097       1.289083  9.194175       1.207939  -1.827824      3.023404  
1 1 1 27 9  9  o 32.52931 1.669070  10.10277       0.9414835 9.558249       1.075339  11.89061       1.948524  -3.398195      3.338139  
1 1 1 27 9  10 o 24.72790 1.390035  6.121965       0.6713242 5.934125       0.8554525 6.423096       1.083129  -0.9308395     2.780071  
1 1 1 27 9  11 o 12.70327 2.057186  1.634578       0.5226600 1.634578       0.5226600 ?              ?         ?              ?         
1 1 1 27 9  12 o 29.99072 2.059281  8.741198       1.168140  7.801779       1.407511  10.82037       2.093954  -4.703524      4.118561  
1 1 1 27 9  13 f 27.89245 2.170631  8.201561       1.153428  8.533685       1.447706  7.624313       1.908582  1.910385       4.341262  
1 1 1 27 9  14 o 10.55476 2.917837  0.7428532      0.9748161 1.522840       1.161969  -1.110574      1.791178  2.994893       5.835674  
1 1 1 27 9  15 o 19.37000 3.001608  4.220504       1.073424  4.100783       1.303244  4.473057       1.892859  -0.1400185     6.003215  
1 1 1 27 9  16 o 14.09028 3.819254  1.911116       1.201196  1.539823       1.316543  3.755824       2.934544  -4.550007      7.638507  
1 1 1 27 9  17 o 20.37930 6.264279  0.000000       0.000000  ?              ?         6.541744       2.799761  ?              ?         
1 1 1 27 9  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 10 0  o 5.550326 2.702455  -0.5441123     0.7689264 -0.3503458     1.540044  -0.6084566     0.8874593 0.000000       0.000000  
1 1 1 27 10 1  o 42.08974 0.8694545 17.81463       0.7280731 19.69564       1.022231  15.87800       1.037235  4.535805       1.738909  
1 1 1 27 10 2  o 38.54130 0.9052470 14.83146       0.6964409 13.61822       0.9590167 16.18521       1.013034  -3.327385      1.810494  
1 1 1 27 10 3  f 46.77066 0.9426628 21.91241       0.8812979 20.98675       1.241511  22.85261       1.251232  -1.994114      1.885326  
1 1 1 27 10 4  f 43.72727 0.9541095 19.28026       0.8190757 18.45215       1.272283  19.86641       1.070397  -1.629623      1.908219  
1 1 1 27 10 5  o 39.24075 1.085322  15.15987       0.7992629 16.22731       1.419562  14.66441       0.9671237 1.956047       2.170643  
1 1 1 27 10 6  o 29.88944 1.095497  9.013062       0.6367871 8.736942       1.019938  9.189448       0.8151882 -0.7775364     2.190994  
1 1 1 27 10 7  o 32.74100 1.057432  10.83410       0.6871220 9.858539       1.005219  11.68970       0.9413924 -2.803377      2.114864  
1 1 1 27 10 8  o 22.58238 1.838711  5.165659       0.8285164 4.875003       1.188386  5.440545       1.155696  -1.258867      3.677423  
1 1 1 27 10 9  o 34.55224 1.189669  11.80786       0.7925630 11.30405       0.9870172 12.72241       1.329815  -1.998287      2.379339  
1 1 1 27 10 10 o 6.421634 2.100461  -0.6511467     0.6183824 -0.4101794     0.7591194 -1.126451      1.066146  -0.3720088     4.200922  
1 1 1 27 10 11 o 14.04516 2.647530  2.123278       0.7843806 1.388764       1.113476  2.846828       1.105134  -4.472708      5.295059  
1 1 1 27 10 12 o 16.66658 3.196281  2.731915       1.042549  2.052603       1.252391  4.265112       1.881500  -5.702883      6.392562  
1 1 1 27 10 13 o 23.32663 2.444638  5.547683       1.107739  5.090907       1.387073  6.351980       1.840586  -2.388998      4.889277  
1 1 1 27 10 14 o 15.53948 3.331007  2.232639       1.005065  1.650765       1.149997  4.114517       2.068132  -6.249099      6.662013  
1 1 1 27 10 15 o 9.788488 2.999702  0.1899945      1.069138  0.3688100      1.354774  -0.1052243     1.740749  -0.2834349     5.999404  
1 1 1 27 10 16 o 16.06181 4.082274  3.219953       1.667113  2.175076       2.139899  4.833368       2.659094  -4.665470      8.164548  
1 1 1 27 10 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 10 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 11 0  o 33.40341 1.644123  12.00199       0.9448341 9.974894       1.769271  12.81071       1.117527  0.000000       0.000000  
1 1 1 27 11 1  o 44.03154 0.8891016 19.36519       0.7782778 18.99025       1.040481  19.84141       1.172633  -0.9595680     1.778203  
1 1 1 27 11 2  f 61.26341 0.8145193 37.55305       0.9976929 38.60535       1.432281  36.56118       1.390546  1.666210       1.629039  
1 1 1 27 11 3  o 12.07473 2.461925  1.491206       0.6360087 1.857870       0.9113656 1.143107       0.8879941 2.462311       4.923850  
1 1 1 27 11 4  o 59.53553 0.9487175 35.28772       1.125786  38.19700       1.678982  32.91130       1.517448  4.428894       1.897435  
1 1 1 27 11 5  o 45.27010 0.8447884 20.48935       0.7641543 19.47478       1.055149  21.60842       1.108153  -2.352894      1.689577  
1 1 1 27 11 6  o 22.41792 1.462397  5.230853       0.6322660 4.157173       0.9649586 6.038579       0.8369585 -4.213774      2.924793  
1 1 1 27 11 7  o 13.06988 2.159741  1.702147       0.6090769 2.883959       0.8974198 0.6928594      0.8293332 7.647813       4.319482  
1 1 1 27 11 8  o 46.71848 1.068764  21.72965       0.9764958 21.07849       1.247374  22.76039       1.569371  -1.758709      2.137528  
1 1 1 27 11 9  o 11.73319 2.626088  1.149960       0.6715428 0.6832468      0.8087253 2.186434       1.205189  -5.212696      5.252176  
1 1 1 27 11 10 o 59.07565 1.001680  34.83456       1.155751  33.96248       1.474333  36.22481       1.861505  -1.842728      2.003360  
1 1 1 27 11 11 o 63.51814 1.043815  41.08179       1.283254  42.63252       1.639369  38.62822       2.062090  3.243858       2.087629  
1 1 1 27 11 12 o 24.68432 1.735453  6.142270       0.8508640 7.142311       1.291160  5.374610       1.131242  3.508972       3.470905  
1 1 1 27 11 13 o 26.12531 2.135324  6.433042       1.019763  5.597998       1.189375  8.750582       1.981424  -5.543741      4.270649  
1 1 1 27 11 14 o 20.42724 2.789691  4.558707       1.036168  4.507992       1.248393  4.671013       1.857726  0.6192589      5.579381  
1 1 1 27 11 15 o 13.38055 3.053036  1.966497       1.113330  3.407703       1.445197  -0.1373735     1.746118  7.149956       6.106072  
1 1 1 27 11 16 f 13.08456 3.910713  1.592649       1.749627  1.923914       2.186700  1.003233       2.916840  0.4215050      7.821425  
1 1 1 27 11 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 11 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 12 0  o 106.8249 1.649079  116.8261       3.152517  109.4006       5.874228  119.8298       3.736126  0.000000       0.000000  
1 1 1 27 12 1  o 50.80443 0.8600858 25.63816       0.8673687 24.26473       1.146460  27.47660       1.326412  -3.151066      1.720172  
1 1 1 27 12 2  o 25.08477 1.369127  6.007113       0.6668842 5.099451       0.8301147 7.659084       1.119895  -5.076006      2.738255  
1 1 1 27 12 3  o 21.95312 1.772756  4.816304       0.7050935 4.774290       0.8342476 4.921368       1.319229  -0.2798424     3.545511  
1 1 1 27 12 4  o 27.93664 1.110266  7.819607       0.6195738 7.730422       0.8530719 7.919170       0.9013385 -0.3338890     2.220531  
1 1 1 27 12 5  o 40.23325 0.8794829 16.21188       0.7075292 16.61371       1.013206  15.82945       0.9884478 0.9726715      1.758966  
1 1 1 27 12 6  o 52.56020 0.8615156 27.66433       0.9013416 27.88604       1.344062  27.48314       1.215057  0.3720894      1.723031  
1 1 1 27 12 7  o 38.07820 0.9286140 14.54233       0.7022909 14.58306       0.9402106 14.49094       1.056268  0.1323586      1.857228  
1 1 1 27 12 8  o 31.66050 0.8975240 10.01821       0.5673307 9.364012       0.7766300 10.76676       0.8307557 -2.209076      1.795048  
1 1 1 27 12 9  o 26.29660 1.458462  6.825675       0.7435488 6.376488       0.9297400 7.622779       1.238529  -2.293917      2.916924  
1 1 1 27 12 10 o 30.33286 1.298934  8.782418       0.7516162 7.731226       0.9129558 10.99363       1.324110  -5.269611      2.597867  
1 1 1 27 12 11 o 14.32530 2.420721  2.330493       0.6556953 2.601813       0.7730286 1.634643       1.237977  3.325767       4.841442  
1 1 1 27 12 12 o 9.314569 2.534805  0.4140494      0.6183075 0.9500515E-01  0.7240368 1.273460       1.188326  -4.425090      5.069610  
1 1 1 27 12 13 o 9.731275 2.160985  1.001946       0.4199221 1.080597       0.4661081 0.6630401      0.9675553 0.6893654      4.321970  
1 1 1 27 12 14 o 17.58974 3.214186  3.412845       1.050911  3.200250       1.233895  3.974441       2.005458  -1.302141      6.428372  
1 1 1 27 12 15 o 7.550648 2.498471  -0.6436266     0.8273191 -0.3371538     0.9400804 -1.696177      1.742170  -1.121331      4.996942  
1 1 1 27 12 16 o 7.860336 3.539997  -0.2545064     1.171604  -0.2545064     1.171604  ?              ?         ?              ?         
1 1 1 27 12 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 12 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 13 0  o 89.20375 1.492654  81.03033       2.352460  77.36767       4.495908  82.41116       2.760512  0.000000       0.000000  
1 1 1 27 13 1  o 60.02547 0.8143141 36.05628       0.9773248 36.88693       1.402177  35.27145       1.362950  1.343578       1.628628  
1 1 1 27 13 2  o 32.59739 1.408513  10.71946       0.9109708 10.17432       1.356684  11.16706       1.229326  -1.534451      2.817026  
1 1 1 27 13 3  o 25.28912 1.573069  6.029272       0.7325291 5.477804       0.8627828 7.453351       1.386464  -3.847998      3.146137  
1 1 1 27 13 4  o 18.81125 1.538302  3.545461       0.5755401 3.053290       0.7899322 4.102359       0.8402716 -2.781900      3.076604  
1 1 1 27 13 5  o 58.58160 0.9519297 33.05337       1.042709  30.82611       1.248922  38.17769       1.894384  -6.215946      1.903859  
1 1 1 27 13 6  o 49.85703 0.7953849 24.90414       0.7930825 24.96100       1.117634  24.84647       1.125585  0.1155205      1.590770  
1 1 1 27 13 7  o 10.09384 2.554938  0.8906358      0.6558908 1.019622       0.8884898 0.7361657      0.9723057 0.6216536      5.109876  
1 1 1 27 13 8  o 48.11430 0.9399729 23.18590       0.9030695 22.56734       1.236294  23.89352       1.322307  -1.367558      1.879946  
1 1 1 27 13 9  o 19.76035 1.877513  3.983932       0.6483608 3.992767       0.7533931 3.958703       1.273036  0.2587395      3.755026  
1 1 1 27 13 10 o 47.33174 1.062028  22.65091       0.9002142 22.77048       1.060870  22.34336       1.701419  0.5935516      2.124056  
1 1 1 27 13 11 o 24.77686 1.448418  5.759349       0.6330127 5.296387       0.7261675 7.224518       1.291837  -3.708164      2.896836  
1 1 1 27 13 12 o 34.10973 1.233983  11.93566       0.7635733 12.16348       0.9111230 11.39812       1.399557  1.290264       2.467967  
1 1 1 27 13 13 o 28.05349 1.228424  8.028179       0.6453447 8.097376       0.7876149 7.886822       1.125724  0.5236149      2.456848  
1 1 1 27 13 14 o 21.09084 1.692874  4.741959       0.6867113 5.869930       0.9406238 3.454641       1.004869  5.766869       3.385748  
1 1 1 27 13 15 o 11.06707 3.206233  0.8771375      0.8502839 0.7898704      0.9164725 1.416672       2.278785  -3.444531      6.412466  
1 1 1 27 13 16 o 33.52385 2.176407  11.82461       1.459230  11.82461       1.459230  ?              ?         ?              ?         
1 1 1 27 13 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 13 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 14 0  o 14.68712 3.401318  2.221456       0.9896518 5.120793       1.793400  0.9519855      1.186695  0.000000       0.000000  
1 1 1 27 14 1  o 22.20826 1.492470  5.073835       0.6425213 6.387136       0.8985267 3.699559       0.9191489 6.052858       2.984941  
1 1 1 27 14 2  o 8.417207 2.351339  0.1177980      0.6404795 0.9429234      0.9351325 -0.6112736     0.8790190 3.776917       4.702678  
1 1 1 27 14 3  o 28.55918 1.294888  8.078332       0.7346538 9.330863       1.115695  7.119530       0.9761477 3.856726       2.589777  
1 1 1 27 14 4  f 49.30421 0.9002873 24.39113       0.8717384 24.52300       1.132197  24.19912       1.366145  0.3479233      1.800575  
1 1 1 27 14 5  f 60.52177 0.8073483 36.65079       0.9766263 38.27144       1.409793  35.15544       1.354200  2.569752       1.614697  
1 1 1 27 14 6  o 39.18893 0.9494963 15.40346       0.7363996 15.42981       0.9740270 15.36830       1.125082  0.9356689E-01  1.898993  
1 1 1 27 14 7  o 18.32529 1.647642  3.374642       0.5917875 4.370039       0.8740929 2.532258       0.8041083 5.000485       3.295285  
1 1 1 27 14 8  o 12.02120 2.268730  1.420245       0.5954623 2.390106       0.8939047 0.6465748      0.7983887 6.066898       4.537461  
1 1 1 27 14 9  o 23.89816 1.660709  5.436912       0.6725563 5.147366       0.7601509 6.480523       1.443148  -2.585674      3.321418  
1 1 1 27 14 10 f 30.79757 1.327344  8.984389       0.7158205 8.400271       0.8200171 10.85468       1.467329  -3.803701      2.654688  
1 1 1 27 14 11 o 43.24786 1.067406  18.57374       0.8282815 18.23878       0.9717194 19.46378       1.583983  -1.265911      2.134812  
1 1 1 27 14 12 o 24.52159 1.439375  5.608107       0.6227289 5.103399       0.7134401 7.222900       1.276132  -4.090528      2.878750  
1 1 1 27 14 13 o 6.586142 2.115816  -0.2565472     0.5378196 -0.3667067E-01 0.6052747 -1.081360      1.172306  -0.8139896     4.231633  
1 1 1 27 14 14 o 17.39919 3.030836  3.293799       0.7951178 3.278187       0.8538298 3.395746       2.181905  0.8627625      6.061673  
1 1 1 27 14 15 o 12.90226 2.362906  1.912288       0.6729789 2.928818       0.9430266 0.8573186      0.9606910 6.643224       4.725812  
1 1 1 27 14 16 o 15.84023 4.149255  3.090834       1.330154  3.090834       1.330154  ?              ?         ?              ?         
1 1 1 27 14 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 14 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 15 0  o 91.19298 1.560127  81.17784       2.399984  87.93372       5.070994  79.22781       2.724425  0.000000       0.000000  
1 1 1 27 15 1  o 55.41711 0.9493242 30.57437       1.048716  33.97253       1.553395  27.72849       1.421573  5.623955       1.898648  
1 1 1 27 15 2  o 73.22522 0.8628159 53.68893       1.262957  52.96553       1.753727  54.46832       1.820314  -1.021309      1.725632  
1 1 1 27 15 3  o 47.52172 1.063151  22.53967       1.007020  21.39037       1.357758  23.94487       1.501321  -2.673676      2.126303  
1 1 1 27 15 4  o 25.97882 1.292817  6.644535       0.6624907 6.009766       0.8550858 7.597727       1.047832  -3.031734      2.585635  
1 1 1 27 15 5  o 39.22514 0.9372585 14.83797       0.7200682 12.56785       0.9128264 18.57758       1.171591  -7.635086      1.874517  
1 1 1 27 15 6  o 53.03911 0.8613980 28.39810       0.9069316 30.59058       1.242527  25.89810       1.326808  4.431480       1.722796  
1 1 1 27 15 7  o 24.77392 1.254849  6.129566       0.6165981 6.497287       0.9450120 5.856965       0.8136592 1.270977       2.509698  
1 1 1 27 15 8  o 6.967635 2.179463  -0.2786456     0.5974501 -0.5338963E-01 0.8969243 -0.4583096     0.8010288 1.208377       4.358926  
1 1 1 27 15 9  o 5.836259 1.887354  -0.4238861     0.4836823 -0.8505846     0.8382301 -0.2108937     0.5922222 0.1668086      3.774708  
1 1 1 27 15 10 o 8.124597 2.470839  0.1026218      0.6349208 0.2254653      0.7187814 -0.3336038     1.354491  -1.358373      4.941679  
1 1 1 27 15 11 o 45.44559 1.099558  21.21049       0.8858418 21.67450       1.042291  20.00344       1.681087  2.010586       2.199117  
1 1 1 27 15 12 o 38.72197 1.156353  14.44913       0.7775783 13.78120       0.8901681 16.59988       1.597355  -3.412056      2.312707  
1 1 1 27 15 13 o 10.04284 2.463941  0.3223476      0.5830393 -0.2153635     0.6617454 2.188047       1.232643  -7.958409      4.927882  
1 1 1 27 15 14 o 20.04456 1.671470  3.637415       0.5464098 3.301014       0.6045747 5.137663       1.276742  -4.075705      3.342941  
1 1 1 27 15 15 o 13.24634 2.504157  2.123156       0.7458787 3.023386       0.9839170 0.9068350      1.143684  6.387616       5.008315  
1 1 1 27 15 16 o 21.82130 2.971059  5.254941       1.296647  5.254941       1.296647  ?              ?         ?              ?         
1 1 1 27 15 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 16 0  o 30.12199 1.923720  8.806582       0.9779022 10.36811       2.050641  8.346948       1.112554  0.000000       0.000000  
1 1 1 27 16 1  o 25.58239 1.845916  6.899016       0.8126175 6.006951       1.578312  7.220787       0.9479117 -2.471601      3.691832  
1 1 1 27 16 2  o 30.95080 1.111624  9.645023       0.6847002 10.71831       0.9664441 8.563393       0.9701912 3.481594       2.223248  
1 1 1 27 16 3  o 37.98905 1.075307  14.40786       0.7840278 14.23227       0.9768206 14.72579       1.314438  -0.6143188     2.150614  
1 1 1 27 16 4  o 24.61446 1.257297  6.148143       0.6125611 6.897536       0.8469373 5.326107       0.8870378 3.197258       2.514595  
1 1 1 27 16 5  f 40.91227 0.8841178 16.79658       0.7202700 16.99333       0.9772899 16.56263       1.065670  0.5346375      1.768236  
1 1 1 27 16 6  o 25.58939 1.193426  6.576392       0.6091398 6.528770       0.8301671 6.631936       0.8965672 -0.1919479     2.386852  
1 1 1 27 16 7  o 30.18621 1.110354  9.200995       0.6662046 8.645939       0.9797568 9.678331       0.9085757 -1.720678      2.220708  
1 1 1 27 16 8  o 9.873140 2.502346  0.8405178      0.6386559 1.153830       0.9062505 0.5313945      0.9001718 1.852996       5.004691  
1 1 1 27 16 9  o 33.79601 1.081074  11.70070       0.7001704 12.25610       0.8850602 10.77171       1.144653  2.255295       2.162149  
1 1 1 27 16 10 o 17.01706 2.554497  3.160638       0.7748832 3.285112       0.9115571 2.836375       1.471268  1.856962       5.108994  
1 1 1 27 16 11 o 9.910835 2.783630  0.6828345      0.6594152 0.7321236      0.7165371 0.4101488      1.685367  -1.939544      5.567260  
1 1 1 27 16 12 o 9.205917 2.538130  0.6122749      0.6746050 0.9044044      0.8069991 -0.6548245E-01 1.229200  0.9921455      5.076260  
1 1 1 27 16 13 o 8.812673 2.210462  0.3888195      0.6702433 1.443227       0.7748640 -2.744148      1.335670  5.397047       4.420925  
1 1 1 27 16 14 o 9.878780 2.561676  0.8559588      0.5514838 0.7891831      0.6109815 1.149591       1.281211  -2.232823      5.123353  
1 1 1 27 16 15 o 19.38569 2.480746  4.369126       0.9158441 5.352922       1.252779  3.239800       1.342243  5.870510       4.961492  
1 1 1 27 16 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 16 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 17 0  o 18.11154 2.948126  3.500948       0.9961049 3.500948       0.9961049 3.500948       0.9961049 0.000000       0.000000  
1 1 1 27 17 1  o 16.75689 2.061330  3.000399       0.6499086 2.374303       1.002985  3.453539       0.8532770 -3.518980      4.122660  
1 1 1 27 17 2  o 26.23061 1.332556  6.967880       0.6754929 4.796837       0.9279137 9.415483       0.9852444 -8.796560      2.665113  
1 1 1 27 17 3  o 29.67002 1.141621  8.867770       0.6746198 9.701674       0.9478910 8.011812       0.9603440 2.849228       2.283242  
1 1 1 27 17 4  o 47.21532 0.8646740 22.27565       0.8116175 21.75946       1.084225  22.93357       1.224055  -1.230610      1.729348  
1 1 1 27 17 5  o 53.43585 0.9994278 28.25892       1.001299  27.56311       1.212692  29.74949       1.774929  -1.982830      1.998856  
1 1 1 27 17 6  o 52.70863 0.8228934 27.83483       0.8667758 27.46773       1.198715  28.23709       1.254820  -0.7238350     1.645787  
1 1 1 27 17 7  o 36.12227 0.9594441 13.07342       0.6923355 12.32082       0.9543111 13.90967       1.005949  -2.191246      1.918888  
1 1 1 27 17 8  f 21.34173 1.417139  4.609044       0.6039611 4.851621       0.8486939 4.360150       0.8596719 1.154312       2.834279  
1 1 1 27 17 9  o 22.85182 1.531016  5.266951       0.6945697 5.072283       0.9207717 5.523970       1.058004  -0.9436893     3.062031  
1 1 1 27 17 10 o 30.84741 1.395417  9.065475       0.7706695 8.420745       0.8932914 10.94221       1.524073  -3.884037      2.790834  
1 1 1 27 17 11 o 31.42550 1.404475  9.440305       0.8140833 8.595108       0.9607077 11.59280       1.533146  -4.537979      2.808950  
1 1 1 27 17 12 o 14.58837 2.827279  2.343141       0.8167034 2.281829       0.9990640 2.466645       1.417954  -0.4111824     5.654558  
1 1 1 27 17 13 o 13.25499 2.777632  1.739726       0.7159705 1.459651       0.8321049 2.538291       1.405065  -3.359556      5.555265  
1 1 1 27 17 14 o 21.26523 1.808896  4.751203       0.6411282 4.734266       0.7294488 4.808713       1.344179  0.4627419      3.617793  
1 1 1 27 17 15 o 16.20636 2.890399  3.185428       0.9360813 3.219173       1.363700  3.155360       1.287243  0.4765892E-01  5.780799  
1 1 1 27 17 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 17 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 18 0  o 16.88340 3.337106  3.938241       0.8734350 2.719263       1.805307  4.310778       0.9980173 0.000000       0.000000  
1 1 1 27 18 1  o 38.76411 0.9650442 15.07009       0.7480335 14.88861       1.064290  15.24727       1.051583  -0.4638939     1.930088  
1 1 1 27 18 2  o 56.57355 0.9367021 32.02955       1.048341  32.48757       1.610564  31.69282       1.380940  0.6799202      1.873404  
1 1 1 27 18 3  o 45.84167 0.9025376 21.09065       0.8263304 21.67676       1.149218  20.46325       1.189013  1.327374       1.805075  
1 1 1 27 18 4  o 45.77178 0.9867947 20.81954       0.8700168 20.31131       1.086053  21.72988       1.453528  -1.509758      1.973589  
1 1 1 27 18 5  o 28.38622 1.294013  8.428087       0.7021333 9.572015       0.9115968 6.759694       1.100912  4.983881       2.588026  
1 1 1 27 18 6  o 23.74707 1.428988  5.686707       0.6776321 5.640384       0.9838760 5.728510       0.9346507 -0.1952953     2.857975  
1 1 1 27 18 7  f 8.645949 2.299793  0.4203674      0.5834981 -0.1909245     0.8170286 1.056712       0.8336030 -3.419012      4.599585  
1 1 1 27 18 8  o 21.65463 1.413357  4.822610       0.6009841 5.319927       0.8062078 4.200626       0.9016118 2.612204       2.826713  
1 1 1 27 18 9  o 41.12257 1.020208  17.04944       0.8365161 17.50238       1.148559  16.53776       1.220765  1.188541       2.040416  
1 1 1 27 18 10 o 18.42731 1.902948  3.198239       0.6566895 2.730362       0.7803033 4.334112       1.215802  -4.139681      3.805896  
1 1 1 27 18 11 o 15.74752 2.721307  2.698910       0.7846585 2.698631       0.9205508 2.699651       1.500521  0.3166285      5.442614  
1 1 1 27 18 12 o 11.08572 2.833329  0.8146634      0.7547286 0.3345769      0.8816552 2.131293       1.460060  -5.659671      5.666659  
1 1 1 27 18 13 o 11.09375 2.640675  1.235891       0.6279088 1.231096       0.7200181 1.251119       1.283083  -0.7898130     5.281351  
1 1 1 27 18 14 o 9.497812 2.750490  0.4830115      0.7957124 0.1465945      0.9747474 1.155007       1.377642  -3.063569      5.500979  
1 1 1 27 18 15 f 9.254192 2.727935  0.5718229      0.6696798 0.5652760      0.7314490 0.6057478      1.665046  -2.211701      5.455869  
1 1 1 27 18 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 18 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 19 0  o 22.38191 2.494376  5.000381       0.9877928 6.239797       1.793892  4.461055       1.183352  0.000000       0.000000  
1 1 1 27 19 1  o 49.79043 0.9725114 24.85764       0.9520327 24.84337       1.237681  24.87831       1.489880  -0.9311676E-02 1.945023  
1 1 1 27 19 2  o 35.15731 1.255864  11.85812       0.8159148 11.03693       0.9671872 13.88485       1.519454  -3.976818      2.511728  
1 1 1 27 19 3  o 37.68411 1.077740  14.25729       0.8112276 14.16838       1.175488  14.33814       1.120952  -0.2318192     2.155479  
1 1 1 27 19 4  o 56.67155 0.8629382 32.24565       0.9760587 32.99793       1.347408  31.41499       1.415844  1.404007       1.725876  
1 1 1 27 19 5  o 50.80875 0.8886852 25.59492       0.8961828 23.61686       1.181817  28.27146       1.374735  -4.557793      1.777370  
1 1 1 27 19 6  o 10.44683 2.545651  0.9949668      0.6791294 1.475726       0.9098603 0.3901745      1.020502  2.875276       5.091302  
1 1 1 27 19 7  o 17.60130 1.962030  3.221422       0.6706014 3.003543       0.9843085 3.410155       0.9161071 -1.430540      3.924059  
1 1 1 27 19 8  o 7.146664 2.195744  -0.1493549     0.5787998 -0.3539883     0.7544299 0.1434170      0.9023923 -1.685262      4.391489  
1 1 1 27 19 9  o 34.18398 1.072909  11.77558       0.7328955 11.18046       1.033736  12.37704       1.039227  -1.748882      2.145819  
1 1 1 27 19 10 o 9.849337 2.136795  0.7726293      0.5911371 1.879058       0.7954340 -0.5922542     0.8834669 6.724078       4.273591  
1 1 1 27 19 11 o 7.879240 2.442915  -0.1826154     0.6372063 -0.3374476     0.7326825 0.2980483      1.290939  -3.366867      4.885829  
1 1 1 27 19 12 o 24.85602 2.666714  7.496124       0.7859719 7.757859       0.8409095 5.687082       2.210768  5.660332       5.333427  
1 1 1 27 19 13 o 13.05121 2.632991  1.996314       0.6545370 2.134533       0.7300254 1.429755       1.478005  2.016608       5.265983  
1 1 1 27 19 14 o 20.25509 2.295059  4.511206       0.6994298 4.480932       0.7774482 4.639740       1.601934  1.138514       4.590117  
1 1 1 27 19 15 o 26.35977 1.927809  6.897828       0.8150258 6.486773       0.9035801 8.691972       1.887752  -2.701122      3.855619  
1 1 1 27 19 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 19 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 20 0  o 23.68291 2.478082  6.038930       0.9231182 5.909263       1.827090  6.083375       1.069688  0.000000       0.000000  
1 1 1 27 20 1  o 38.69738 1.125018  14.98571       0.8546249 15.29073       1.350235  14.78183       1.103886  0.6264992      2.250036  
1 1 1 27 20 2  f 11.09384 2.806176  1.141640       0.7961327 1.589374       0.8885097 -0.6819208     1.793131  2.433874       5.612351  
1 1 1 27 20 3  o 21.24604 1.553239  4.528080       0.6559910 3.873951       0.8951901 5.286721       0.9640555 -3.311213      3.106479  
1 1 1 27 20 4  o 6.216084 2.074602  -1.148596      0.6779837 -1.503948      0.9220477 -0.7303172     1.000361  -1.320421      4.149203  
1 1 1 27 20 5  o 56.39472 0.9628085 32.27617       1.064342  33.85721       1.394564  30.07040       1.647199  3.395836       1.925617  
1 1 1 27 20 6  o 51.62936 0.9050922 26.78186       0.9296052 26.89624       1.253209  26.64193       1.386140  0.2682800      1.810184  
1 1 1 27 20 7  o 18.92951 1.718776  3.605986       0.6459959 3.324614       0.8531920 3.983995       0.9889121 -1.692217      3.437552  
1 1 1 27 20 8  o 7.209512 2.222522  -0.1535495     0.5973650 -0.2991425     0.7830449 0.4914733E-01  0.9239319 -1.321333      4.445045  
1 1 1 27 20 9  o 45.10114 0.9876767 20.44114       0.8900689 21.63057       1.288811  19.35658       1.230695  2.507011       1.975353  
1 1 1 27 20 10 o 16.44531 1.810779  2.777341       0.5949515 2.756322       0.8592399 2.796700       0.8246053 -0.1407642     3.621557  
1 1 1 27 20 11 o 24.80353 1.368834  6.269512       0.6779289 6.216257       0.9308300 6.329669       0.9893128 -0.1989994     2.737668  
1 1 1 27 20 12 o 13.24253 2.653263  1.548209       0.6529413 1.129152       0.7423174 2.980872       1.372541  -5.858475      5.306526  
1 1 1 27 20 13 o 7.564917 2.427880  -0.2148408     0.6646305 -0.1656122     0.7482752 -0.3988448     1.446658  -2.134927      4.855760  
1 1 1 27 20 14 o 7.163148 2.997010  0.2000857      0.7198951 0.2000857      0.7198951 ?              ?         ?              ?         
1 1 1 27 20 15 o 7.674287 2.402131  0.4426491E-01  0.6772165 0.1164438      0.8019912 -0.1350886     1.264210  -1.024247      4.804262  
1 1 1 27 20 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 21 0  o 44.93342 1.411301  19.65627       1.127929  21.99683       2.203678  18.82542       1.312949  0.000000       0.000000  
1 1 1 27 21 1  o 41.68952 0.9916940 17.30090       0.8168678 16.58445       1.065635  18.32174       1.272026  -2.057400      1.983388  
1 1 1 27 21 2  o 12.33989 2.430501  1.604356       0.6226326 1.702832       0.8595048 1.495614       0.9031896 0.6997280      4.861002  
1 1 1 27 21 3  o 27.74944 1.359654  7.786336       0.7393342 7.921807       0.9591238 7.587972       1.160605  0.6378765      2.719308  
1 1 1 27 21 4  o 31.85022 1.129628  10.25664       0.7121299 10.62648       0.9517161 9.786136       1.073443  1.340830       2.259256  
1 1 1 27 21 5  o 32.95375 1.617866  11.77170       0.9619114 9.057437       1.665084  13.13127       1.178449  -6.317448      3.235732  
1 1 1 27 21 6  f 27.64264 1.285101  7.701457       0.7080566 7.592237       0.9595129 7.832041       1.049169  -0.4110165     2.570201  
1 1 1 27 21 7  o 13.34430 2.297648  1.977978       0.6471105 2.634870       0.8439607 1.040812       1.008053  5.445103       4.595297  
1 1 1 27 21 8  o 27.16268 1.288729  7.552188       0.6851370 7.997613       0.8982323 6.932500       1.059468  2.006926       2.577458  
1 1 1 27 21 9  o 14.34212 2.422457  2.239845       0.6839824 2.329452       0.9272534 2.132894       1.013021  0.7020645      4.844915  
1 1 1 27 21 10 o 11.65415 2.555056  1.434698       0.6551392 1.475482       0.9671330 1.400113       0.8906044 0.3132744      5.110113  
1 1 1 27 21 11 o 15.33374 2.198316  2.153809       0.6299789 1.499157       0.7476465 3.756592       1.169845  -7.181300      4.396631  
1 1 1 27 21 12 o 23.00217 1.762533  5.348406       0.7143723 5.215982       0.8290315 5.730289       1.407835  -0.7367439     3.525066  
1 1 1 27 21 13 o 9.439273 2.664936  0.5272610      0.6563320 0.3080474      0.7462374 1.276128       1.379258  -3.763653      5.329872  
1 1 1 27 21 14 o 15.25852 2.815670  2.921154       0.7974761 3.074298       0.8941573 2.325642       1.763223  3.289367       5.631341  
1 1 1 27 21 15 o 15.87947 2.382015  1.044873       0.7223079 -0.7263299E-01 0.7829934 7.427315       1.871227  -18.37505      4.764030  
1 1 1 27 21 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 22 0  o 13.41927 3.421160  1.770548       1.125415  4.899219       1.831955  -0.1259093     1.426285  0.000000       0.000000  
1 1 1 27 22 1  o 32.57205 1.111862  10.63510       0.7234629 10.11524       0.9948855 11.21849       1.053928  -1.684635      2.223724  
1 1 1 27 22 2  o 31.88553 1.131695  10.31265       0.7121075 10.89388       0.9500756 9.567499       1.075734  2.100378       2.263390  
1 1 1 27 22 3  o 52.90189 0.9979879 28.17107       1.031389  28.36752       1.326316  27.87054       1.640468  0.5220757      1.995976  
1 1 1 27 22 4  o 15.84898 2.339018  2.665904       0.7050520 2.645231       0.9074028 2.697399       1.120018  -0.1757050E-01 4.678037  
1 1 1 27 22 5  o 40.41264 1.003670  16.44740       0.8080497 16.74819       1.101138  16.09640       1.189477  0.8233452      2.007339  
1 1 1 27 22 6  f 34.15617 1.466693  11.83646       0.9941403 11.67819       1.496483  11.96148       1.330042  -0.4672089     2.933385  
1 1 1 27 22 7  o 15.72413 2.100664  2.768012       0.6154052 3.330302       0.7918411 1.910331       0.9779590 4.786971       4.201327  
1 1 1 27 22 8  o 32.97443 1.153851  11.12881       0.7381920 11.68264       0.9501749 10.28558       1.172436  2.180655       2.307702  
1 1 1 27 22 9  o 30.93901 1.351416  9.819224       0.8198320 10.32418       1.076346  9.121449       1.265266  2.016479       2.702832  
1 1 1 27 22 10 o 11.44898 2.500426  1.282238       0.6292897 0.8683256      0.7973306 1.965973       1.024773  -3.827874      5.000852  
1 1 1 27 22 11 o 29.24137 1.250710  8.681930       0.7307923 9.153821       1.058762  8.252539       1.009958  1.517426       2.501420  
1 1 1 27 22 12 o 10.23757 2.365818  1.116210       0.5585591 1.207403       0.7777009 1.019050       0.8027377 0.6247158      4.731635  
1 1 1 27 22 13 o 10.37107 2.786573  0.8887556      0.7069979 0.6591455      0.8132148 1.599525       1.430785  -3.352566      5.573147  
1 1 1 27 22 14 o 10.85134 2.931019  0.9301298      0.7769044 0.5665905      0.8867524 2.130818       1.611543  -4.576998      5.862039  
1 1 1 27 22 15 o 11.38693 4.567043  0.000000       0.000000  ?              ?         1.472573       1.582758  ?              ?         
1 1 1 27 22 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27 23 0  o 6.097291 2.910151  -0.2122597     0.8429883 -0.8202125     1.809401  -0.4371584E-01 0.9527006 0.000000       0.000000  
1 1 1 27 23 1  o 20.49964 1.668514  4.249726       0.6743047 4.198885       0.8800470 4.322013       1.049363  -0.2510910     3.337028  
1 1 1 27 23 2  o 10.01849 2.633784  0.7880067      0.6753276 0.6734611      0.8322271 1.008865       1.155604  -1.755153      5.267568  
1 1 1 27 23 3  o 22.35321 1.580587  4.995276       0.6990945 4.637848       0.9123190 5.503689       1.088079  -1.885851      3.161174  
1 1 1 27 23 4  o 36.35032 1.191119  13.30571       0.8647887 12.37317       1.206079  14.29247       1.240645  -2.632072      2.382238  
1 1 1 27 23 5  o 35.81488 1.264168  12.95581       0.8639341 12.96430       1.072484  12.94011       1.458032  0.1377945      2.528336  
1 1 1 27 23 6  o 40.93227 1.112457  17.17714       0.8924528 18.89092       1.190237  14.97625       1.348825  4.818680       2.224915  
1 1 1 27 23 7  o 17.29945 2.378274  3.288771       0.7403358 3.501418       0.8935975 2.823347       1.322016  2.473797       4.756548  
1 1 1 27 23 8  o 16.27982 2.412912  2.876952       0.7588904 3.016407       1.034177  2.714243       1.117077  1.001785       4.825825  
1 1 1 27 23 9  o 36.75578 1.185753  13.69058       0.8694410 14.71449       1.224414  12.64921       1.234802  2.812965       2.371506  
1 1 1 27 23 10 o 18.92987 2.029481  3.847878       0.7341624 4.348474       0.9963800 3.253277       1.085913  3.218481       4.058962  
1 1 1 27 23 11 o 31.10260 1.192434  9.849243       0.7357248 10.03762       0.9855928 9.612166       1.105674  0.7390842      2.384867  
1 1 1 27 23 12 o 14.92368 2.066200  2.434099       0.6038011 2.739715       0.8519393 2.125647       0.8558818 2.317234       4.132400  
1 1 1 27 23 13 f 8.868540 2.775323  0.1749363      0.7363731 0.1838218      0.7988708 0.1247211      1.899127  -2.899420      5.550645  
1 1 1 27 23 14 o 18.73822 2.793858  4.156706       0.9592377 3.992765       1.148909  4.533964       1.742853  0.3562546      5.587716  
1 1 1 27 23 15 o 9.162229 4.080618  0.000000       0.000000  ?              ?         0.1623650      1.517808  ?              ?         
1 1 1 27 24 0  o 22.54472 2.643575  5.069992       1.022648  6.585248       1.930499  4.478922       1.205718  0.000000       0.000000  
1 1 1 27 24 1  o 22.59350 1.803153  5.070143       0.7737913 4.822043       0.9452012 5.574296       1.347389  -1.532730      3.606305  
1 1 1 27 24 2  o 27.89923 1.346504  7.859216       0.7453499 7.865427       0.9938641 7.851233       1.126770  0.5884743E-01  2.693008  
1 1 1 27 24 3  f 40.04008 1.135090  16.12314       0.9080335 16.74716       1.321637  15.56522       1.249688  1.459362       2.270181  
1 1 1 27 24 4  o 20.29416 1.790372  4.264890       0.7130730 5.059802       0.9920798 3.415300       1.025632  4.064394       3.580745  
1 1 1 27 24 5  o 43.50348 1.109138  19.05779       0.9642969 19.22833       1.393734  18.90119       1.335569  0.3623848      2.218275  
1 1 1 27 24 6  o 42.24287 1.178089  17.75820       0.9386797 17.28434       1.143263  18.73848       1.644351  -1.588844      2.356177  
1 1 1 27 24 7  o 8.107533 2.427706  0.9411241E-01  0.6710315 -0.5699210E-02 0.8733839 0.2379243      1.048364  -1.179670      4.855412  
1 1 1 27 24 8  o 29.22344 1.436878  8.413933       0.7972724 7.872707       0.9706875 9.536036       1.397676  -2.670881      2.873756  
1 1 1 27 24 9  o 9.439855 2.674362  0.3473606      0.8219173 1.161966       1.154895  -0.4886715     1.169985  3.300423       5.348724  
1 1 1 27 24 10 o 21.16464 1.840511  4.584425       0.7742239 4.070245       1.030293  5.251433       1.173460  -2.690636      3.681023  
1 1 1 27 24 11 o 34.44062 1.321934  12.15320       0.9017588 14.30359       1.292131  10.11143       1.259071  6.066957       2.643868  
1 1 1 27 24 12 o 7.633932 2.288841  -0.3319065E-01 0.6242280 -0.5594577     0.8185255 0.6983410      0.9650409 -3.084680      4.577682  
1 1 1 27 24 13 o 13.58932 2.983493  2.327494       0.8708203 2.496785       1.011999  1.844531       1.709307  2.005458       5.966985  
1 1 1 27 24 14 o 31.35314 2.176859  11.10129       1.334264  11.38218       1.736975  10.69698       2.083923  1.782927       4.353718  
1 1 1 27 24 15 o 13.27493 4.670577  0.000000       0.000000  ?              ?         2.474950       1.543428  ?              ?         
1 1 1 27 25 0  o 11.93617 3.880979  2.076278       0.9585994 2.328783       1.726546  1.963754       1.152566  0.000000       0.000000  
1 1 1 27 25 1  f 29.74477 1.507998  9.030790       0.8583704 9.194147       1.074406  8.742533       1.427216  0.8697376      3.015995  
1 1 1 27 25 2  o 13.45506 2.573160  1.940620       0.7079287 1.830083       0.9674769 2.068014       1.038631  -0.7881184     5.146320  
1 1 1 27 25 3  o 20.22592 1.871701  4.142185       0.7527134 3.869103       1.000879  4.497719       1.142027  -1.497616      3.743403  
1 1 1 27 25 4  o 14.31491 2.465089  2.244199       0.6997249 2.531590       0.9256697 1.861050       1.068816  2.234425       4.930178  
1 1 1 27 25 5  o 9.199905 2.404509  0.2147742      0.6681187 -0.7209851     0.8733415 1.535198       1.037430  -5.864367      4.809017  
1 1 1 27 25 6  o 8.793379 2.503816  0.3857409      0.6684073 0.2120210      0.8713336 0.6341378      1.041916  -1.580048      5.007632  
1 1 1 27 25 7  o 23.66448 1.611209  5.788738       0.7404338 6.045221       0.9535203 5.399180       1.175134  1.466623       3.222417  
1 1 1 27 25 8  o 7.972514 2.513647  -0.1468287     0.7366950 0.3159676      0.8023858 -2.631105      1.859038  -0.1037455E-01 5.027295  
1 1 1 27 25 9  o 21.46728 1.866044  4.785535       0.7990821 5.050047       1.114283  4.505481       1.146553  1.290321       3.732087  
1 1 1 27 25 10 o 14.38388 2.585486  2.295293       0.7534090 1.822429       1.051065  2.795019       1.080507  -3.065693      5.170972  
1 1 1 27 25 11 o 14.35022 2.256707  2.478072       0.6883004 3.669844       0.9151080 0.9255158      1.044479  8.695202       4.513414  
1 1 1 27 25 12 o 20.25766 1.816524  4.433061       0.7207100 5.113681       0.9860402 3.652388       1.056031  3.689669       3.633048  
1 1 1 27 25 13 o 18.53645 3.201261  4.444112       1.166650  4.753288       1.489991  3.954229       1.875545  2.862123       6.402522  
1 1 1 27 25 14 o 11.36725 4.608374  0.000000       0.000000  ?              ?         1.446889       1.636111  ?              ?         
1 1 1 27 25 15 o 12.83414 4.696560  0.000000       0.000000  ?              ?         2.454612       1.574267  ?              ?         
1 1 1 27 26 0  o 10.42641 3.950959  1.179435       1.155337  2.868869       1.954004  0.2713538      1.432574  0.000000       0.000000  
1 1 1 27 26 1  o 17.70766 2.478075  3.264698       0.8364144 2.796447       1.081140  3.962762       1.320049  -3.121599      4.956151  
1 1 1 27 26 2  o 22.32793 2.027764  5.127157       0.9018031 5.470026       1.251439  4.756782       1.300670  1.618187       4.055528  
1 1 1 27 26 3  o 11.80922 2.658585  1.364042       0.7394330 0.7404118      1.022077  2.048899       1.071075  -3.955947      5.317170  
1 1 1 27 26 4  o 23.82304 1.544403  5.754882       0.7288262 5.705779       0.9646882 5.820182       1.112468  -0.1881008     3.088806  
1 1 1 27 26 5  o 24.44651 1.555292  6.088003       0.7503917 6.134543       0.9870476 6.024267       1.155081  0.2911625      3.110583  
1 1 1 27 26 6  o 9.795351 2.595237  0.7873029      0.6775919 0.6940324      0.8826240 0.9211701      1.057403  -1.062115      5.190475  
1 1 1 27 26 7  o 25.48617 1.729861  7.080660       0.7988949 7.879460       0.9816550 5.513973       1.374772  4.823019       3.459722  
1 1 1 27 26 8  o 11.57789 2.756108  1.368792       0.7264423 1.307875       0.8911101 1.489483       1.254293  -0.9492188     5.512217  
1 1 1 27 26 9  o 9.283281 2.668996  0.4915412      0.7792249 0.8637754      0.9293449 -0.3896505     1.429895  0.9880953      5.337992  
1 1 1 27 26 10 o 17.26470 2.574032  3.916320       0.8269778 4.839127       0.9875002 1.749558       1.513169  8.765178       5.148065  
1 1 1 27 26 11 o 11.10002 2.726939  1.363563       0.7328469 1.508255       0.9006811 1.080122       1.260610  0.8320665      5.453877  
1 1 1 27 26 12 f 11.81871 2.563881  1.645728       0.6798050 1.960535       0.9052855 1.238676       1.029410  2.314394       5.127761  
1 1 1 27 26 13 o 10.69156 3.086576  1.059305       0.9473100 0.9689865      1.099321  1.319827       1.867066  -1.651656      6.173152  
1 1 1 27 26 14 o 15.91724 3.396373  3.475804       1.200167  2.639270       1.656264  4.400686       1.741529  -4.137956      6.792746  
1 1 1 27 27 0  f 28.41195 2.466570  8.227143       1.162238  8.978877       2.387003  7.993547       1.330620  0.000000       0.000000  
1 1 1 27 27 1  o 21.14285 2.242752  4.547313       0.9112868 4.844446       1.534586  4.385456       1.132612  0.8864136      4.485504  
1 1 1 27 27 2  o 62.09917 0.9841916 38.73642       1.219149  37.93119       1.657786  39.68483       1.799152  -1.380386      1.968383  
1 1 1 27 27 3  o 43.91685 1.191248  19.11347       1.006850  18.21978       1.249901  20.76517       1.699220  -2.771584      2.382496  
1 1 1 27 27 4  o 16.77811 2.205453  2.969493       0.7155445 3.001110       0.9457484 2.927164       1.094291  0.6114807      4.410906  
1 1 1 27 27 5  o 28.06248 1.429414  7.925863       0.7982051 7.058974       1.070325  9.012115       1.198118  -3.427498      2.858828  
1 1 1 27 27 6  o 16.52312 2.285383  2.738144       0.7342315 1.576061       0.9448422 4.509693       1.166587  -8.779445      4.570765  
1 1 1 27 27 7  o 29.63183 1.439199  8.612528       0.8324275 7.445868       1.046740  10.61989       1.373027  -5.190323      2.878398  
1 1 1 27 27 8  o 11.04317 2.833088  1.093657       0.8388714 1.664957       1.170507  0.4903592      1.202840  2.852732       5.666175  
1 1 1 27 27 9  o 8.789608 2.601762  -0.3259528E-01 0.8222927 -0.9137816     1.140650  0.9208567      1.186500  -3.431231      5.203524  
1 1 1 27 27 10 o 17.99092 2.723335  4.139862       0.8272787 4.533841       0.9422660 2.814710       1.728103  5.722795       5.446670  
1 1 1 27 27 11 o 15.24095 2.453978  2.685768       0.7199382 2.768534       0.9250706 2.558641       1.146486  1.030185       4.907956  
1 1 1 27 27 12 o 9.343988 2.605185  0.5980471      0.7507468 -0.3003172E-01 1.018938  1.343914       1.110379  -3.287058      5.210370  
1 1 1 27 27 13 o 8.044497 2.716200  -1.288160      1.199586  -1.142723      1.548069  -1.506732      1.897799  -0.5637355     5.432399  
1 1 1 27 27 14 o 16.00485 4.878974  3.812141       1.703136  3.812141       1.703136  ?              ?         ?              ?         
1 1 1 27 28 0  f 19.25767 3.778326  4.171474       1.297819  4.171474       1.297819  4.171474       1.297819  0.000000       0.000000  
1 1 1 27 28 1  o 30.40513 1.349248  9.365461       0.8189753 9.410176       1.126279  9.315294       1.193011  0.1783352      2.698497  
1 1 1 27 28 2  o 18.14385 2.386876  3.610410       0.8252608 2.793757       1.249676  4.241984       1.098982  -4.362875      4.773752  
1 1 1 27 28 3  o 28.04644 1.638409  8.029202       0.9179611 8.100233       1.333099  7.965155       1.265893  0.2101192      3.276818  
1 1 1 27 28 4  o 11.92729 2.766290  1.425515       0.7583265 1.131609       0.9917997 1.839149       1.176595  -2.304432      5.532581  
1 1 1 27 28 5  o 10.59689 2.580585  0.9857619      0.7422177 1.771596       0.9818389 -0.6212934E-01 1.133791  4.390805       5.161170  
1 1 1 27 28 6  o 24.48007 1.837396  6.252733       0.8518380 6.407533       1.056946  5.965824       1.438931  1.135193       3.674793  
1 1 1 27 28 7  o 34.24845 1.272627  11.76484       0.8500777 11.23986       1.077741  12.62921       1.382908  -1.888508      2.545253  
1 1 1 27 28 8  o 28.47493 1.526879  8.474145       0.8372028 8.970564       1.070007  7.690498       1.344382  2.411436       3.053758  
1 1 1 27 28 9  o 10.65891 2.393080  0.4404050      0.7517266 -1.179336      0.9886999 2.659676       1.157303  -9.167188      4.786159  
1 1 1 27 28 10 o 9.544348 2.719858  0.6964908      0.7942314 0.8285516      1.019514  0.4926160      1.266742  0.1584635      5.439716  
1 1 1 27 28 11 o 9.459884 2.765335  0.6373817      0.7750886 0.6932833      0.8934609 0.4673470      1.558233  -1.052368      5.530669  
1 1 1 27 28 12 o 19.35187 3.086665  4.388103       1.074564  3.829259       1.262835  5.854457       2.045599  -2.933998      6.173329  
1 1 1 27 28 13 o 9.674051 2.976834  -0.1568035     1.191544  -2.002525      1.669370  1.760150       1.701279  -4.659623      5.953668  
1 1 1 27 28 14 o 10.40577 3.140386  1.153894       1.159226  0.8755439      1.705007  1.393171       1.580814  -0.6912985     6.280771  
1 1 1 27 29 0  o 23.66537 2.995020  5.789972       1.200598  7.417350       2.232073  5.127463       1.424165  0.000000       0.000000  
1 1 1 27 29 1  o 23.49418 1.934610  5.776386       0.8859993 6.168586       1.157784  5.222122       1.376358  2.133928       3.869219  
1 1 1 27 29 2  o 31.35808 1.340865  10.07572       0.8302766 10.76388       1.114881  9.218802       1.244093  2.513147       2.681731  
1 1 1 27 29 3  o 18.24419 2.247885  3.429817       0.7813054 2.271872       1.028219  5.011870       1.201855  -7.630855      4.495771  
1 1 1 27 29 4  o 13.92379 3.008413  2.085821       0.9048798 1.946770       1.181715  2.282925       1.406934  -1.037721      6.016825  
1 1 1 27 29 5  o 9.725657 2.781249  0.5639369      0.8364469 0.7855983      1.062556  0.2027575      1.356339  0.3870573      5.562499  
1 1 1 27 29 6  o 39.67553 1.281518  16.08028       1.007041  16.59927       1.347621  15.42398       1.515448  1.558903       2.563035  
1 1 1 27 29 7  o 24.83739 1.733671  6.384045       0.8518363 6.409173       1.127204  6.350585       1.300693  0.2386036      3.467341  
1 1 1 27 29 8  o 28.78681 1.617985  8.448598       0.9254861 7.314847       1.239414  9.877460       1.391402  -4.346157      3.235969  
1 1 1 27 29 9  o 12.21824 2.518186  1.733249       0.7552050 2.661756       0.9771955 0.3562561      1.190022  6.308621       5.036372  
1 1 1 27 29 10 o 15.61607 2.802025  2.761763       0.8309358 2.506173       1.003242  3.320152       1.482866  -1.692806      5.604049  
1 1 1 27 29 11 o 14.49604 2.706255  2.615263       0.7931505 2.890874       0.9861439 2.110349       1.334752  2.811465       5.412511  
1 1 1 27 29 12 o 10.90962 3.174892  1.160307       1.059427  1.150114       1.270816  1.183532       1.918278  -0.8340521     6.349783  
1 1 1 27 29 13 o 18.56612 3.392325  4.861309       1.307032  6.333842       1.900964  3.541024       1.800011  6.347352       6.784650  
1 1 1 27 30 0  o 5.956317 3.008887  -1.748317      1.162569  -0.8465359     2.213872  -2.091678      1.366085  0.000000       0.000000  
1 1 1 27 30 1  o 13.47597 2.690216  1.974680       0.7844619 1.311086       1.127707  2.596859       1.091950  -3.910179      5.380431  
1 1 1 27 30 2  o 10.81572 2.909344  0.7651123      0.9158447 -0.1117649E-01 1.253192  1.654976       1.341737  -3.830413      5.818688  
1 1 1 27 30 3  o 39.10665 1.192891  15.30316       0.9253452 14.12463       1.217471  16.91525       1.423919  -3.490013      2.385783  
1 1 1 27 30 4  o 18.44728 2.501394  3.714348       0.8877614 3.950935       1.304738  3.510393       1.211418  1.088404       5.002788  
1 1 1 27 30 5  o 12.73900 3.127658  1.620703       0.9478532 1.381490       1.189116  2.037552       1.569716  -2.073187      6.255315  
1 1 1 27 30 6  o 20.76299 2.575530  4.770501       1.016998  4.323439       1.583849  5.084135       1.326606  -2.448002      5.151060  
1 1 1 27 30 7  o 9.697948 2.750860  0.4301843      0.8244596 -0.1102215     1.072376  1.211315       1.289285  -3.377626      5.501719  
1 1 1 27 30 8  o 16.22813 2.666347  3.103549       0.8385366 3.357511       1.076236  2.711204       1.337695  2.282872       5.332694  
1 1 1 27 30 9  o 8.066544 2.490922  0.1755510E-01  0.6456807 -0.1218242     0.7353916 0.4865547      1.348981  -3.142370      4.981844  
1 1 1 27 30 10 o 19.02925 2.384634  4.708729       0.6909907 5.180000       0.7855678 3.097425       1.452572  6.712163       4.769269  
1 1 1 27 30 11 o 18.52803 2.317949  4.084474       0.7240874 4.249147       0.8479905 3.641226       1.391245  3.022726       4.635897  
1 1 1 27 30 12 o 12.98586 2.849900  1.872155       0.6396216 1.767878       0.6874524 2.544250       1.745276  -1.152874      5.699801  
1 1 1 27 30 13 o 11.17036 3.239435  1.282555       1.245556  2.922312       1.821865  -0.1564954     1.706730  4.760877       6.478870  
1 1 1 27 31 0  o 9.715269 4.124309  1.157935       1.420334  0.6268392      1.917242  1.803955       2.114530  0.000000       0.000000  
1 1 1 27 31 1  o 25.16396 1.649937  6.509175       0.8302224 6.437531       1.181154  6.579136       1.167194  -0.2896748     3.299875  
1 1 1 27 31 2  o 29.26048 1.487024  8.791476       0.8663896 9.134709       1.186588  8.399542       1.267977  1.301783       2.974047  
1 1 1 27 31 3  o 18.01664 2.436338  3.635171       0.8430055 4.787186       1.166738  2.376847       1.219384  6.907458       4.872676  
1 1 1 27 31 4  o 12.90205 3.150887  1.748769       1.003363  2.120203       1.344593  1.282043       1.507234  1.862569       6.301774  
1 1 1 27 31 5  o 22.23881 2.278411  5.405241       0.9136708 5.631046       1.121580  4.959765       1.575340  2.222197       4.556823  
1 1 1 27 31 6  o 44.46829 1.412931  20.12801       1.216631  19.86453       1.535370  20.57261       1.994481  -0.5410194     2.825863  
1 1 1 27 31 7  o 19.35276 2.560922  4.234627       0.9523948 4.358248       1.406202  4.129867       1.294500  0.4036541      5.121844  
1 1 1 27 31 8  o 12.10819 3.057574  1.637694       0.9397102 1.348028       1.294562  1.960322       1.366235  -1.558793      6.115148  
1 1 1 27 31 9  o 8.798801 2.587490  0.4330285      0.7279763 0.3524000      0.9137899 0.5730950      1.204396  -1.250552      5.174980  
1 1 1 27 31 10 o 7.480785 2.407487  -0.1837696     0.6730980 -0.1375823     0.7619118 -0.3479585     1.436532  -1.930511      4.814974  
1 1 1 27 31 11 o 12.52747 2.665292  2.042489       0.7367626 2.345470       0.8746578 1.302352       1.367058  3.261180       5.330584  
1 1 1 27 31 12 o 12.09368 3.382886  1.821331       1.307879  0.4960730      1.927266  2.952637       1.780661  -3.973322      6.765771  
1 1 1 27 32 0  o 40.88736 1.812234  16.09049       1.365365  20.19008       2.544717  14.43316       1.617981  0.000000       0.000000  
1 1 1 27 32 1  o 42.55298 1.210123  18.37004       1.026890  18.27768       1.398502  18.47810       1.512696  -0.1857529     2.420245  
1 1 1 27 32 2  o 26.06025 1.674475  6.963008       0.8645885 6.786940       1.141208  7.200216       1.324614  -0.6787834     3.348949  
1 1 1 27 32 3  o 36.51983 1.475762  13.78719       1.036100  14.13853       1.307945  13.19529       1.697646  1.517792       2.951523  
1 1 1 27 32 4  o 19.82129 2.545196  4.136481       0.9746432 5.397335       1.523670  3.263276       1.267992  5.433094       5.090392  
1 1 1 27 32 5  o 10.69696 2.965592  0.7349737      0.9094689 0.2631056      1.140352  1.559659       1.507554  -3.568458      5.931183  
1 1 1 27 32 6  o 12.33314 2.972559  1.750932       0.9106248 2.184127       1.112713  0.8724071      1.584594  2.758945       5.945117  
1 1 1 27 32 7  o 13.08315 2.506512  2.314347       0.6996393 2.739998       0.7668246 0.1996073      1.709218  6.093484       5.013024  
1 1 1 27 32 8  o 18.54194 2.232860  3.494928       0.7246886 3.120723       0.8400663 4.583466       1.432784  -2.722612      4.465719  
1 1 1 27 32 9  o 12.43393 3.030537  1.695859       0.8525457 1.392506       1.015291  2.421188       1.569945  -2.756824      6.061074  
1 1 1 27 32 10 o 24.89505 1.911314  7.313559       0.8276417 8.177046       1.000938  5.447016       1.471629  6.245897       3.822628  
1 1 1 27 32 11 o 39.22816 1.793276  16.07367       1.406939  16.07367       1.406939  ?              ?         ?              ?         
1 1 1 27 32 12 o 9.106106 2.988527  -0.2394836     1.350645  -1.461521      2.068742  0.6684126      1.783126  -1.526303      5.977053  
1 1 1 27 33 0  o 7.272491 3.434858  -0.2454724     1.315717  -0.5783290     1.993857  0.1126602E-01  1.751099  0.000000       0.000000  
1 1 1 27 33 1  o 18.68351 2.326357  3.736389       0.8428973 3.652385       1.116495  3.847722       1.285329  -0.5980110E-01 4.652715  
1 1 1 27 33 2  o 23.57625 2.346789  6.369125       0.9609691 7.159516       1.181640  4.825391       1.651394  5.652773       4.693578  
1 1 1 27 33 3  o 15.52011 2.582971  2.790266       0.8627418 4.048480       1.155911  1.207794       1.296329  8.258683       5.165942  
1 1 1 27 33 4  o 9.769468 2.699029  0.4005206      0.8853156 -1.098138      1.331824  1.587042       1.185041  -4.586886      5.398057  
1 1 1 27 33 5  o 12.50221 3.058122  1.408913       0.9328930 0.6325622      1.144950  2.942312       1.609108  -5.964134      6.116245  
1 1 1 27 33 6  o 10.15839 2.637535  1.059762       0.7236823 1.408152       0.8658996 0.2526641      1.317947  1.992480       5.275070  
1 1 1 27 33 7  o 11.96350 2.792813  1.476654       0.6947108 1.272155       0.8003619 2.101485       1.399015  -2.598674      5.585625  
1 1 1 27 33 8  o 11.96654 3.351831  1.663653       0.8338892 1.663653       0.8338892 ?              ?         ?              ?         
1 1 1 27 33 9  o 11.40243 3.037819  1.397526       0.7471341 1.398300       0.7976384 1.391987       2.133576  -0.9748697     6.075639  
1 1 1 27 33 10 o 10.27104 3.015936  0.8101166      1.123186  1.722016       1.368315  -1.073511      1.966573  2.999402       6.031871  
1 1 1 27 33 11 o 8.150566 3.499177  0.3748540      1.025141  0.3748540      1.025141  ?              ?         ?              ?         
1 1 1 27 34 0  o 8.642266 3.694739  0.9845857      1.102322  0.5807868      2.061890  1.146185       1.304377  0.000000       0.000000  
1 1 1 27 34 1  o 10.65958 2.861448  0.9726381      0.8310076 0.6841972      1.073112  1.404723       1.313414  -2.189501      5.722896  
1 1 1 27 34 2  o 12.12934 2.728815  1.608032       0.8107464 2.415560       1.103555  0.6610680      1.195039  4.742396       5.457630  
1 1 1 27 34 3  o 10.46558 2.853680  0.7680082      0.8924112 1.766954       1.332230  -0.4508106E-01 1.201925  4.108738       5.707360  
1 1 1 27 34 4  o 11.90866 2.941379  1.550222       0.8842487 2.048113       1.237868  1.031449       1.263561  2.582850       5.882758  
1 1 1 27 34 5  o 21.57085 2.139894  5.246085       0.7539840 5.396791       0.8724521 4.801441       1.498596  2.524693       4.279787  
1 1 1 27 34 6  o 16.37147 2.488882  3.370489       0.7389608 3.823725       0.8767625 2.258900       1.373070  5.413545       4.977764  
1 1 1 27 34 7  o 27.00785 1.735624  8.242975       0.7996807 8.801661       0.9393642 6.772204       1.524132  4.493048       3.471249  
1 1 1 27 34 8  o 10.33038 2.825679  1.011700       0.7260141 0.8898546      0.8256103 1.427296       1.524774  -2.151276      5.651357  
1 1 1 27 34 9  o 15.75839 2.915656  3.451596       0.8817201 3.722934       0.9806031 2.306101       2.014817  5.314672       5.831311  
1 1 1 27 34 10 o 7.190813 2.384025  -0.6987387     0.8573098 -0.4178864     1.097370  -1.138643      1.373387  -0.2006483E-01 4.768050  
1 1 1 27 34 11 o 20.63448 3.219119  6.205237       1.408087  9.145708       2.009801  3.370400       1.973371  12.75000       6.438238  
1 1 1 27 35 0  f 6.884326 3.298768  -0.3051232     1.117295  0.2352216      2.122596  -0.5122233     1.314081  0.000000       0.000000  
1 1 1 27 35 1  o 10.77641 3.093225  0.9452829      1.024985  -0.4585002     2.132751  1.366893       1.168815  -1.058740      6.186451  
1 1 1 27 35 2  o 11.70194 3.003305  1.439102       0.9381664 2.025242       1.312316  0.8264136      1.341707  2.799149       6.006611  
1 1 1 27 35 3  o 10.32964 2.813319  0.9966167      0.8322497 1.276413       1.132442  0.6680261      1.227220  1.251675       5.626637  
1 1 1 27 35 4  o 20.73848 2.213490  4.679741       0.9132095 4.522289       1.222602  4.878450       1.373471  -0.6361027     4.426979  
1 1 1 27 35 5  o 20.93736 2.269850  5.166292       0.8311362 5.719121       1.020933  4.079891       1.431188  4.842722       4.539700  
1 1 1 27 35 6  o 19.54756 2.233155  4.181627       0.7558160 4.057670       0.8859678 4.513015       1.448609  0.1022453      4.466310  
1 1 1 27 35 7  o 11.32128 2.771197  1.581073       0.7614073 1.849905       0.8533428 0.5312236      1.686343  2.384261       5.542395  
1 1 1 27 35 8  o 8.458076 2.688570  -0.3045437E-01 0.7686857 -0.1904327     0.8617117 0.5927933      1.700834  -3.395639      5.377140  
1 1 1 27 35 9  o 8.028513 2.576129  -0.3170667     0.8325897 -0.6841071     1.009814  0.4621648      1.471356  -2.948203      5.152257  
1 1 1 27 35 10 o 9.330600 2.805027  0.7449083      0.9248598 1.024935       1.249029  0.4050145      1.376081  0.8878002      5.610054  
1 1 1 27 36 0  o 14.98067 5.083414  3.122142       1.361148  3.122142       1.361148  3.122142       1.361148  0.000000       0.000000  
1 1 1 27 36 1  o 16.19935 2.635131  3.063168       0.8378237 2.740958       1.179792  3.390976       1.189998  -1.922398      5.270262  
1 1 1 27 36 2  o 13.73951 2.924129  2.278506       0.8768201 1.941961       1.338243  2.531656       1.160654  -1.775902      5.848259  
1 1 1 27 36 3  f 15.50161 2.919243  2.606189       0.7666726 2.416778       0.8479799 3.454234       1.794285  -1.615383      5.838486  
1 1 1 27 36 4  o 20.84405 2.072666  4.655918       0.8378544 4.365584       1.050992  5.162184       1.387841  -1.371902      4.145332  
1 1 1 27 36 5  f 30.95139 1.672244  10.39452       0.9917413 11.10943       1.266917  9.263191       1.593735  3.403294       3.344489  
1 1 1 27 36 6  o 20.70255 2.590257  5.132798       0.8641126 5.202855       0.9870991 4.903034       1.787616  2.816874       5.180515  
1 1 1 27 36 7  o 8.512199 2.671113  0.2912738E-01  0.7461717 -0.1765233     0.8406631 0.7927582      1.619939  -3.615849      5.342225  
1 1 1 27 36 8  o 9.624812 2.694453  0.7974510      0.8552665 1.496112       1.033632  -0.7194238     1.523027  3.055439       5.388906  
1 1 1 27 36 9  o 20.59962 2.667474  5.380663       1.067520  6.286442       1.533739  4.529524       1.486759  4.436537       5.334948  
1 1 1 27 37 0  o 6.736206 3.091849  -0.5132375     1.181496  -4.722821      2.219607  1.151096       1.395651  0.000000       0.000000  
1 1 1 27 37 1  o 13.37213 2.977957  2.199343       0.8896653 2.302729       1.196998  2.071742       1.329810  0.7287445      5.955915  
1 1 1 27 37 2  o 12.38780 2.905456  1.805447       0.8518279 2.297262       1.241161  1.367506       1.171213  2.558848       5.810911  
1 1 1 27 37 3  o 23.95303 1.821556  6.014086       0.8164905 5.750221       0.9860097 6.589776       1.456415  -1.086401      3.643113  
1 1 1 27 37 4  o 22.64315 2.265976  5.138456       0.9268774 4.380827       1.071648  7.388082       1.846627  -5.125034      4.531952  
1 1 1 27 37 5  o 17.48391 2.878773  3.602411       0.8869232 3.363047       1.023792  4.322409       1.775609  -0.7440834     5.757546  
1 1 1 27 37 6  o 9.510517 2.807390  0.6283150      0.8843805 0.2692324      1.158620  1.129588       1.368929  -2.031492      5.614781  
1 1 1 27 37 7  o 9.241297 2.548290  0.5331205      0.8393779 1.597710       1.008293  -1.870158      1.514948  4.433256       5.096580  
1 1 1 27 37 8  o 12.73938 2.769338  2.274904       0.8988182 3.222332       1.147881  0.7733980      1.445065  6.289399       5.538676  
1 1 1 27 38 0  o 5.674239 2.870328  -1.302241      1.161927  -2.721520      2.460022  -0.8946945     1.318237  0.000000       0.000000  
1 1 1 27 38 1  o 12.52484 2.944324  1.744918       0.8852322 2.911582       1.404613  0.9761993      1.140165  5.053605       5.888649  
1 1 1 27 38 2  o 8.190179 2.429363  0.1518508      0.7628543 0.9493642      0.9114581 -1.713475      1.393943  2.721707       4.858727  
1 1 1 27 38 3  o 16.95125 2.944233  3.229213       0.8847464 2.778402       1.016374  4.639398       1.797605  -3.263205      5.888466  
1 1 1 27 38 4  o 34.35622 1.685786  12.48547       0.9555780 12.32730       1.081547  13.04831       2.040195  0.3946609      3.371571  
1 1 1 27 38 5  o 8.115076 2.634575  -0.5173362E-01 0.8256532 0.3108643      0.8868908 -2.408739      2.261194  -0.6104650     5.269149  
1 1 1 27 38 6  o 6.982180 2.321564  -0.7039561     0.8029540 -0.2184954     0.9393851 -2.020664      1.547075  -0.1187611E-01 4.643127  
1 1 1 27 38 7  o 11.37338 3.143225  1.719633       1.045918  2.098157       1.481293  1.343290       1.477020  1.537628       6.286449  
1 1 1 27 39 0  o 10.44382 4.245359  1.267368       1.320391  3.877048       2.501874  0.2598712      1.554511  0.000000       0.000000  
1 1 1 27 39 1  o 15.01261 2.728996  2.841032       0.8567472 1.928103       1.230638  3.699638       1.193463  -5.259460      5.457992  
1 1 1 27 39 2  o 26.61015 1.739257  7.994543       0.8734241 10.13432       1.188809  5.484734       1.287502  8.895216       3.478515  
1 1 1 27 39 3  o 16.85426 2.610526  3.392190       0.8034691 3.319172       0.9542730 3.570016       1.489217  0.9032307      5.221052  
1 1 1 27 39 4  o 17.49310 2.773502  3.657369       0.8401214 3.551347       0.9597609 4.004875       1.737584  0.9726105      5.547003  
1 1 1 27 39 5  o 13.19851 3.083159  2.535260       0.9563144 2.822289       1.038549  0.9351031      2.452138  3.963141       6.166318  
1 1 1 27 39 6  o 16.99823 3.246840  3.509673       1.064310  3.509673       1.064310  ?              ?         ?              ?         
1 1 1 27 40 0  o 8.435379 3.759419  0.7170835      1.146040  1.977029       2.222859  0.2609199      1.337508  0.000000       0.000000  
1 1 1 27 40 1  o 18.51241 2.617950  4.161546       0.9356381 4.404718       1.322717  3.918024       1.323668  1.328886       5.235900  
1 1 1 27 40 2  o 7.728603 2.552756  -0.6000524     0.8068743 -0.8428859     0.9231905 0.1855769      1.660527  -3.432001      5.105512  
1 1 1 27 40 3  o 14.63159 2.643969  3.084545       0.8341518 3.677302       0.9722695 1.431446       1.623670  7.054882       5.287938  
1 1 1 27 40 4  o 8.781014 2.711123  0.4935446      0.8381857 0.5817800      0.9796083 0.2524096      1.619425  -0.6739368     5.422245  
1 1 1 27 40 5  o 17.99296 2.838962  4.319572       0.9544850 4.439283       1.152238  4.057787       1.703909  3.160984       5.677924  
1 1 1 27 41 0  o 7.744289 3.758876  -0.1040287     1.790887  -0.8790959     2.463533  0.7646283      2.608032  0.000000       0.000000  
1 1 1 27 41 1  o 9.223721 2.751034  0.7571603      0.7929698 0.7620771      0.9170336 0.7425874      1.578778  -0.9644737     5.502068  
1 1 1 27 41 2  o 10.94086 2.975426  1.307534       0.9148832 0.6097387      1.145796  2.534976       1.519650  -4.269197      5.950852  
1 1 1 27 41 3  o 15.17961 2.736691  3.357788       0.9937227 4.658910       1.264403  1.255738       1.607120  9.274586       5.473382  
1 1 1 28 0  0  o 17.51536 4.251325  4.230930       1.450625  2.725895       2.214210  5.362666       1.920074  0.000000       0.000000  
1 1 1 28 0  1  o 56.75693 1.665045  34.10580       1.715964  37.04646       2.097320  28.15149       2.984407  0.000000       0.000000  
1 1 1 28 0  2  o 53.88525 1.631985  28.24538       1.601926  26.86703       1.891543  31.74129       3.012437  0.000000       0.000000  
1 1 1 28 0  3  o 69.20467 1.326544  48.11569       1.828922  48.78914       2.513792  47.35830       2.665875  0.000000       0.000000  
1 1 1 28 0  4  f 38.62266 2.664344  15.90762       1.732654  16.40931       2.017176  14.49596       3.383695  0.000000       0.000000  
1 1 1 28 0  5  o 19.35992 3.190600  4.128720       1.061850  3.013295       1.356159  5.895998       1.707037  0.000000       0.000000  
1 1 1 28 0  6  o 60.32538 1.764499  36.55667       2.124863  36.55667       2.124863  36.55667       2.124863  0.000000       0.000000  
1 1 1 28 0  7  o 27.52578 1.785483  6.113393       0.7145264 5.446924       0.7662901 10.55244       1.977645  0.000000       0.000000  
1 1 1 28 0  8  o 42.20901 3.265867  18.27650       2.724434  18.27650       2.724434  18.27650       2.724434  0.000000       0.000000  
1 1 1 28 0  9  o 49.85898 2.557208  25.20401       2.535776  25.20401       2.535776  25.20401       2.535776  0.000000       0.000000  
1 1 1 28 0  10 o 12.74613 4.179083  1.604293       1.388544  4.618477       2.304065  -0.1147532     1.740017  0.000000       0.000000  
1 1 1 28 0  11 o 9.864498 5.682938  1.367514       1.768103  1.367514       1.768103  1.367514       1.768103  0.000000       0.000000  
1 1 1 28 0  12 o 31.51440 2.770191  10.36682       1.672627  12.03527       2.684896  9.308595       2.138252  0.000000       0.000000  
1 1 1 28 0  13 o 13.68446 4.769737  3.003799       1.532908  2.719356       2.659853  3.145257       1.875739  0.000000       0.000000  
1 1 1 28 0  14 o 18.69396 3.707744  5.415691       1.593553  1.082224       2.661996  7.835948       1.989392  0.000000       0.000000  
1 1 1 28 0  15 o 19.01217 4.975678  5.484830       1.747072  5.030079       3.109715  5.694562       2.111864  0.000000       0.000000  
1 1 1 28 0  16 o 18.68517 8.645963  6.587054       3.541612  6.587054       3.541612  6.587054       3.541612  0.000000       0.000000  
1 1 1 28 0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 0  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 1  0  o 41.98832 1.406628  17.84961       1.166580  17.07490       1.737664  18.48529       1.574031  0.000000       0.000000  
1 1 1 28 1  1  o 63.37641 0.9468386 40.07977       1.188871  39.25034       1.569550  41.19620       1.820958  -1.523109      1.893677  
1 1 1 28 1  2  o 35.37126 1.137811  12.52167       0.8042480 11.83337       1.118118  13.25953       1.157670  -2.013527      2.275621  
1 1 1 28 1  3  o 36.52072 1.132011  13.29461       0.8245851 12.24917       1.119526  14.53431       1.219107  -3.121628      2.264022  
1 1 1 28 1  4  o 76.22934 1.190333  58.36820       1.788268  58.90426       2.343570  57.62106       2.766779  0.8743973      2.380665  
1 1 1 28 1  5  o 54.29578 0.9485812 29.50609       1.029613  30.62589       1.481186  28.45909       1.432232  1.992138       1.897162  
1 1 1 28 1  6  o 74.39017 1.007906  55.48306       1.499520  56.03770       2.122278  54.93013       2.119008  0.7441330      2.015812  
1 1 1 28 1  7  f 50.33955 1.027599  24.86808       0.8676164 26.43456       1.844611  24.42308       0.9831582 1.910423       2.055198  
1 1 1 28 1  8  o 20.41965 3.833326  4.514465       1.586562  4.565441       2.132341  4.451248       2.374639  0.2665634      7.666652  
1 1 1 28 1  9  o 34.11048 2.298060  11.79957       1.495538  17.11860       2.243734  7.547253       2.006170  13.96118       4.596120  
1 1 1 28 1  10 o 29.32082 1.906101  8.748449       1.086494  11.69586       1.601680  6.236128       1.478743  9.268444       3.812201  
1 1 1 28 1  11 o 16.54990 3.553878  2.971332       1.316808  3.828563       1.845364  2.081994       1.879603  4.027053       7.107756  
1 1 1 28 1  12 o 12.04787 3.173840  1.258335       1.028678  1.081840       1.457245  1.433637       1.452310  -0.7858839     6.347680  
1 1 1 28 1  13 o 28.67622 2.004793  8.489030       1.149670  8.334653       1.623769  8.644214       1.627997  -0.5373440     4.009586  
1 1 1 28 1  14 o 10.09864 3.006488  0.3345168      1.044388  0.6771684      1.433385  -0.5324851E-01 1.524828  0.9888029      6.012976  
1 1 1 28 1  15 o 25.16840 2.605842  6.772902       1.299094  5.946975       1.701424  7.927538       2.011703  -3.558008      5.211685  
1 1 1 28 1  16 o 16.87020 4.446033  3.546428       2.159488  1.141581       2.893895  6.568258       3.243949  -7.636785      8.892067  
1 1 1 28 1  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 1  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 2  0  o 20.53188 3.583015  4.808951       1.253522  4.219306       1.609582  5.717806       1.998320  0.000000       0.000000  
1 1 1 28 2  1  o 56.79090 1.055551  33.01543       1.155694  29.38002       1.844275  35.36598       1.482972  -5.289444      2.111102  
1 1 1 28 2  2  o 30.52792 1.263258  9.342831       0.7712816 9.412675       1.092497  9.273429       1.089025  0.2278214      2.526515  
1 1 1 28 2  3  o 13.14488 2.788541  1.767016       0.7954363 1.508337       1.133100  2.018354       1.116908  -1.531363      5.577083  
1 1 1 28 2  4  f 38.72917 1.260845  15.07251       0.9744352 14.01328       1.385260  16.10999       1.370970  -2.708057      2.521690  
1 1 1 28 2  5  o 33.61451 1.207125  11.32846       0.8109476 11.93993       1.158184  10.74035       1.135848  1.782417       2.414249  
1 1 1 28 2  6  o 33.17817 1.340007  11.02059       0.8870109 10.54031       1.204368  11.58994       1.311286  -1.568733      2.680015  
1 1 1 28 2  7  o 12.41270 2.321875  1.453091       0.5511987 2.154806       1.014313  1.159034       0.6566104 3.714504       4.643750  
1 1 1 28 2  8  o 12.94282 3.696524  0.8350659      1.492019  1.283922       2.046738  0.3260494      2.179589  1.210665       7.393047  
1 1 1 28 2  9  o 60.42220 1.816845  36.90688       2.193074  34.53450       3.045259  39.46290       3.160923  -4.050606      3.633691  
1 1 1 28 2  10 o 45.90591 1.470876  21.36225       1.347008  22.51622       1.876527  20.13561       1.934718  2.608574       2.941751  
1 1 1 28 2  11 o 14.31960 3.598497  1.944356       1.310965  1.374344       1.802539  2.584424       1.910100  -2.670705      7.196994  
1 1 1 28 2  12 o 14.83039 3.845239  1.954927       1.280635  1.820229       1.436497  2.476550       2.826855  -2.962376      7.690477  
1 1 1 28 2  13 o 11.54510 3.112662  1.017282       1.031370  1.665429       1.448976  0.3516674      1.468373  2.699264       6.225324  
1 1 1 28 2  14 o 11.60262 3.146141  1.008021       1.103510  1.905641       1.444938  -0.2482155     1.709379  3.494786       6.292282  
1 1 1 28 2  15 o 28.35484 2.249104  8.583013       1.272732  7.871188       1.775922  9.334647       1.824908  -2.528143      4.498207  
1 1 1 28 2  16 o 27.34248 4.196870  10.18882       2.216753  10.61311       2.828130  9.512829       3.569741  4.414768       8.393741  
1 1 1 28 2  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 2  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 3  0  o 64.89528 1.242807  42.30112       1.608584  40.73227       2.299886  43.80353       2.250676  0.000000       0.000000  
1 1 1 28 3  1  o 66.64800 0.9328346 44.38787       1.236144  45.28297       1.859561  43.67916       1.654667  1.193085       1.865669  
1 1 1 28 3  2  o 34.60439 1.135615  11.97391       0.7848876 12.87026       1.137509  11.15932       1.084393  2.468700       2.271231  
1 1 1 28 3  3  f 22.49721 2.074227  5.003441       0.9227920 4.479274       1.200099  5.761651       1.443367  -2.818148      4.148454  
1 1 1 28 3  4  o 17.56517 2.568246  3.235265       0.8713643 3.278887       1.252381  3.194335       1.213146  0.2231159      5.136492  
1 1 1 28 3  5  o 46.56277 1.009098  21.75970       0.9379965 20.35535       1.331971  23.14133       1.321150  -2.992435      2.018196  
1 1 1 28 3  6  o 19.86939 1.605438  4.063433       0.5736187 3.767723       1.059344  4.186104       0.6823022 -1.106792      3.210876  
1 1 1 28 3  7  o 49.43341 0.8585228 23.75193       0.8071169 26.83830       1.410441  22.24915       0.9841888 4.603973       1.717046  
1 1 1 28 3  8  o 23.62442 1.950692  5.729211       0.8775107 5.931500       1.097188  5.370131       1.461808  1.265760       3.901383  
1 1 1 28 3  9  o 27.35720 2.629447  7.697192       1.434950  8.164180       2.005793  7.207625       2.053709  1.765001       5.258894  
1 1 1 28 3  10 o 56.93922 1.342187  32.58161       1.518396  31.55390       2.020729  33.91438       2.301174  -2.003944      2.684374  
1 1 1 28 3  11 o 16.41323 3.014113  3.017793       0.9947082 3.373812       1.269434  2.451473       1.601049  2.573095       6.028226  
1 1 1 28 3  12 o 16.09920 3.471915  3.157173       1.283303  3.945314       1.434927  0.7899735E-02  2.868356  5.933362       6.943830  
1 1 1 28 3  13 o 17.96885 3.087002  3.627766       1.111255  4.393775       1.552454  2.822872       1.591371  4.106278       6.174004  
1 1 1 28 3  14 f 9.611928 2.977678  -0.1263703     1.103127  0.2560793      1.524680  -0.5464959     1.598016  0.9492474      5.955356  
1 1 1 28 3  15 o 12.86726 3.378454  1.715645       1.151510  1.563488       1.540666  1.908222       1.733257  -0.9379301     6.756907  
1 1 1 28 3  16 o 12.25644 3.970090  -0.1036877     2.108980  -0.8635988     2.650636  1.207342       3.481568  -2.915861      7.940180  
1 1 1 28 3  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 3  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 4  0  o 26.41484 2.031571  7.332341       1.034606  6.554485       1.539942  7.972325       1.396815  0.000000       0.000000  
1 1 1 28 4  1  o 43.72411 1.216362  19.16597       1.062631  19.06827       1.535310  19.25582       1.472246  -0.2186852     2.432724  
1 1 1 28 4  2  o 30.69906 1.360791  9.214532       0.8200271 8.292915       1.045146  10.69049       1.322634  -3.882605      2.721583  
1 1 1 28 4  3  f 21.59397 2.030978  5.029370       0.7872792 5.627176       0.9837551 3.964535       1.312949  4.162567       4.061956  
1 1 1 28 4  4  o 65.27371 1.018606  43.15472       1.239550  41.38426       2.170526  44.01158       1.510002  -2.055573      2.037212  
1 1 1 28 4  5  o 74.59357 0.8962888 55.04850       1.286173  58.21724       2.161686  53.31201       1.600243  3.250313       1.792578  
1 1 1 28 4  6  o 14.27289 2.106175  1.942936       0.5617118 2.927419       0.9804690 1.461944       0.6853282 4.961275       4.212351  
1 1 1 28 4  7  o 19.85709 1.503671  4.003105       0.5698946 3.853605       0.9522570 4.086530       0.7113482 -0.6237259     3.007342  
1 1 1 28 4  8  o 8.882377 2.675078  0.3282825E-01  0.8133338 -0.2019151E-01 1.032197  0.1196606      1.320944  -1.310614      5.350156  
1 1 1 28 4  9  o 33.51120 2.244897  11.44740       1.504567  11.47291       2.124341  11.42173       2.131235  0.7846451E-01  4.489795  
1 1 1 28 4  10 o 32.03278 1.746616  10.03784       1.097539  8.406439       1.398164  12.65712       1.771616  -6.515430      3.493231  
1 1 1 28 4  11 o 12.65368 3.162364  1.537498       1.004850  1.803048       1.318362  1.169366       1.552258  1.134479       6.324728  
1 1 1 28 4  12 o 30.69134 3.003138  11.21368       1.367473  12.05233       1.550589  8.278758       2.900712  7.444660       6.006276  
1 1 1 28 4  13 o 8.579348 2.747013  -0.6624669     1.021577  -0.3953761     1.396640  -0.9697940     1.498152  0.4049358      5.494027  
1 1 1 28 4  14 o 15.23547 3.228976  2.652970       1.052158  2.825349       1.326842  2.360948       1.726975  1.197358       6.457952  
1 1 1 28 4  15 f 12.59926 3.263975  1.660531       1.125082  2.306893       1.457710  0.7081833      1.769421  2.927531       6.527950  
1 1 1 28 4  16 o 11.83035 3.828826  -0.1409795     2.041447  -0.7200128     2.857564  0.4625784      2.917452  -1.124207      7.657652  
1 1 1 28 4  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 4  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 5  0  o 21.14944 2.683548  4.802329       1.024184  5.390085       1.579139  4.375586       1.345567  0.000000       0.000000  
1 1 1 28 5  1  o 63.36006 0.8858966 40.19350       1.122566  39.72847       1.580530  40.66689       1.594660  -0.7398224     1.771793  
1 1 1 28 5  2  o 27.20496 1.777409  7.388193       0.8691834 7.320322       1.022922  7.564466       1.648504  -0.3819103     3.554819  
1 1 1 28 5  3  o 30.88344 1.421171  9.447450       0.8677423 8.798334       1.129772  10.38127       1.355070  -2.541922      2.842342  
1 1 1 28 5  4  o 66.09745 0.8980427 43.82938       1.169264  43.31488       1.812697  44.19600       1.530155  -0.6831818     1.796085  
1 1 1 28 5  5  o 60.08839 0.8600877 36.85826       1.010516  32.15298       1.540357  40.41323       1.338896  -6.886940      1.720175  
1 1 1 28 5  6  o 35.27219 0.9772480 12.21624       0.6518447 13.25468       1.143503  11.71637       0.7933695 2.148151       1.954496  
1 1 1 28 5  7  o 14.62927 2.001238  2.067474       0.5608030 2.859334       0.9397282 1.629478       0.6988972 4.366159       4.002476  
1 1 1 28 5  8  o 31.68020 1.467720  10.15190       0.9247414 11.30605       1.301925  8.976754       1.313718  3.678289       2.935440  
1 1 1 28 5  9  o 21.10849 3.367298  4.671473       1.377430  3.768537       1.787420  5.991765       2.161389  -4.934027      6.734596  
1 1 1 28 5  10 o 48.95175 1.419233  24.32910       1.370508  24.96563       1.809603  23.47289       2.098768  1.599907       2.838465  
1 1 1 28 5  11 o 11.99983 3.064502  1.190897       0.9601054 0.6090051      1.275337  1.952074       1.458637  -3.517915      6.129004  
1 1 1 28 5  12 o 42.49058 2.389196  18.61172       1.590753  18.50244       1.768299  19.07538       3.642458  0.3943405      4.778393  
1 1 1 28 5  13 o 14.45257 3.256835  1.954659       1.114609  0.8487655      1.440716  3.603400       1.759129  -6.783552      6.513669  
1 1 1 28 5  14 o 13.43634 3.265952  1.940710       1.073419  2.278569       1.400453  1.459533       1.671293  1.670662       6.531905  
1 1 1 28 5  15 o 14.57856 3.361599  2.538483       1.133862  2.836706       1.578334  2.220432       1.629960  1.504261       6.723198  
1 1 1 28 5  16 o 13.09461 4.080889  1.160115       2.077750  1.159557       2.970837  1.160649       2.906970  0.6764984E-01  8.161777  
1 1 1 28 5  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 5  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 6  0  o 7.345457 3.222531  0.3636381      0.9497688 -0.2052045     1.432460  0.8098844      1.268744  0.000000       0.000000  
1 1 1 28 6  1  o 33.76008 1.139622  11.42650       0.7692012 11.11849       1.090684  11.73129       1.084968  -0.9079704     2.279245  
1 1 1 28 6  2  o 23.91362 1.396334  5.651701       0.6575283 6.220841       1.042946  5.276258       0.8470818 1.957535       2.792668  
1 1 1 28 6  3  o 10.48688 2.314744  0.9829080      0.6349674 -0.1932768     0.9739624 1.852365       0.8373913 -5.593284      4.629488  
1 1 1 28 6  4  o 28.72950 1.402165  8.178027       0.7564942 8.593958       1.336163  7.981804       0.9177535 1.026136       2.804329  
1 1 1 28 6  5  o 16.36482 1.982923  3.045348       0.5725747 1.984452       0.9621233 3.627120       0.7124765 -5.280878      3.965845  
1 1 1 28 6  6  o 16.43918 1.740368  2.463230       0.5377895 3.551647       0.9907573 2.008584       0.6403341 4.633339       3.480735  
1 1 1 28 6  7  o 32.11604 1.013459  10.24550       0.6161868 10.65570       1.068422  10.04106       0.7542642 0.9237003      2.026918  
1 1 1 28 6  8  o 21.59203 1.821792  4.986295       0.7409779 5.950910       0.9677371 3.619414       1.151981  5.438183       3.643583  
1 1 1 28 6  9  o 38.78064 1.204278  15.90173       0.8762676 17.93882       1.111579  12.55779       1.424178  6.992069       2.408556  
1 1 1 28 6  10 o 14.97794 3.180887  2.340579       0.9730482 2.263892       1.166656  2.515851       1.763759  -0.9519167     6.361773  
1 1 1 28 6  11 o 19.89391 2.793496  4.239255       1.027848  4.286625       1.256229  4.143316       1.787775  1.046947       5.586992  
1 1 1 28 6  12 o 14.62537 3.972538  1.982762       1.353656  2.250086       1.451514  0.1983369      3.750174  -0.4102325     7.945076  
1 1 1 28 6  13 o 23.88557 2.495412  6.018835       1.170730  6.117387       1.528739  5.879067       1.820556  0.7101269      4.990824  
1 1 1 28 6  14 o 21.41894 2.870773  5.152134       1.166104  5.442194       1.495679  4.702528       1.862138  2.499849       5.741545  
1 1 1 28 6  15 o 11.97064 3.278031  1.366692       1.160694  1.958704       1.506289  0.5013681      1.821094  2.275280       6.556062  
1 1 1 28 6  16 o 18.16220 4.253381  4.845690       2.018559  6.718005       2.646594  2.241863       3.121072  7.628625       8.506762  
1 1 1 28 6  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 6  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 7  0  o 12.49243 3.413523  2.215595       0.9840464 0.7974847      1.489276  3.314530       1.311010  0.000000       0.000000  
1 1 1 28 7  1  o 9.828317 2.343958  0.8385497      0.6133937 -0.1412917     0.9883382 1.452422       0.7822877 -3.956696      4.687916  
1 1 1 28 7  2  o 55.22545 0.9033288 30.65668       0.9889771 29.63767       1.487301  31.46437       1.324127  -1.663410      1.806658  
1 1 1 28 7  3  o 30.53120 1.248227  8.777467       0.7045985 10.85340       1.323741  7.956800       0.8322988 4.703577       2.496453  
1 1 1 28 7  4  o 11.70716 2.587489  1.331862       0.6288111 1.466212       1.168796  1.277135       0.7459691 1.185846       5.174979  
1 1 1 28 7  5  o 19.27772 1.570527  3.523025       0.5852123 4.640952       0.9970878 2.935555       0.7228021 4.384693       3.141055  
1 1 1 28 7  6  o 30.60332 1.174996  9.450775       0.7154139 8.672918       1.035757  10.16047       0.9893348 -2.435797      2.349993  
1 1 1 28 7  7  o 22.60491 1.284025  4.844387       0.5568829 6.186104       0.9688454 4.182393       0.6805358 4.392723       2.568051  
1 1 1 28 7  8  o 25.72789 1.861427  6.636550       0.8261992 6.573305       0.9506242 6.831828       1.670390  -0.3375778     3.722853  
1 1 1 28 7  9  o 50.16828 1.212097  25.32291       1.213342  25.57663       1.781612  25.10344       1.657006  0.4469261      2.424195  
1 1 1 28 7  10 o 39.26416 1.556731  15.78663       1.167575  16.19754       1.461481  15.06169       1.941218  1.591862       3.113461  
1 1 1 28 7  11 o 11.64930 3.149360  0.9930885      0.9553352 0.8082053      1.141961  1.424188       1.743778  -2.658645      6.298719  
1 1 1 28 7  12 o 51.45065 2.159618  25.26491       1.621022  24.31949       1.754528  30.77750       4.236690  -4.877575      4.319235  
1 1 1 28 7  13 o 18.18291 3.058140  3.730030       1.195665  5.510935       1.659653  1.808273       1.724035  9.288820       6.116280  
1 1 1 28 7  14 o 11.02836 3.119402  0.1697551      1.068005  -0.8471043     1.308265  2.201311       1.849182  -6.511216      6.238804  
1 1 1 28 7  15 o 8.440274 2.752675  -0.7637896     1.073739  -0.8760371     1.419816  -0.6138268     1.641101  -0.9610810     5.505349  
1 1 1 28 7  16 o 12.36428 3.790323  0.9150039      1.787048  -0.3847163     2.517353  2.235406       2.537302  -3.025973      7.580645  
1 1 1 28 7  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 7  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 8  0  o 18.46439 2.743276  2.927990       0.8087453 7.138334       1.678994  1.655974       0.9228620 0.000000       0.000000  
1 1 1 28 8  1  o 41.39493 1.060181  16.61456       0.7919843 18.46121       1.521480  15.92823       0.9275559 3.019104       2.120363  
1 1 1 28 8  2  o 26.76525 1.260468  6.843091       0.6570988 8.818806       1.090973  5.718325       0.8231578 5.769894       2.520937  
1 1 1 28 8  3  o 20.36922 2.003819  4.163072       0.7795028 5.545983       1.181637  3.097579       1.037199  6.221508       4.007639  
1 1 1 28 8  4  o 57.10973 0.8802062 32.73282       0.9877141 32.33345       1.543745  33.00962       1.285204  -0.6095695     1.760412  
1 1 1 28 8  5  o 45.51189 0.8945259 21.11066       0.7853913 19.32896       1.262714  22.23487       1.003019  -3.213726      1.789052  
1 1 1 28 8  6  o 16.77956 1.954677  2.867227       0.6388566 3.299966       0.9452468 2.503333       0.8668011 2.593758       3.909355  
1 1 1 28 8  7  o 37.37331 0.9132189 14.08759       0.6627454 13.64074       1.065445  14.36962       0.8464304 -0.9963455     1.826438  
1 1 1 28 8  8  o 36.72944 1.105385  13.48885       0.8043442 13.11873       1.060402  13.99036       1.234336  -1.161667      2.210769  
1 1 1 28 8  9  o 15.43285 2.233762  2.770927       0.6959151 4.184160       0.9290862 0.9645949      1.050384  9.779566       4.467524  
1 1 1 28 8  10 o 13.10772 2.028576  1.722664       0.4991805 1.457791       0.6148624 2.234801       0.8549719 -2.767352      4.057153  
1 1 1 28 8  11 o 13.03711 3.189733  1.631251       0.9664119 1.526299       1.173831  1.852053       1.702599  -1.526271      6.379467  
1 1 1 28 8  12 o 28.35076 3.688563  7.779130       1.745241  6.726157       1.963631  11.73874       3.807832  -6.343370      7.377126  
1 1 1 28 8  13 o 17.62853 5.102357  0.000000       0.000000  ?              ?         3.598654       1.901687  ?              ?         
1 1 1 28 8  14 o 36.81677 1.751396  13.84371       1.219890  13.46812       1.491941  14.60133       2.118923  -1.102272      3.502793  
1 1 1 28 8  15 o 10.22669 3.055037  -0.3382571     1.101898  -1.552673      1.357538  2.006983       1.886522  -6.371325      6.110073  
1 1 1 28 8  16 o 13.82988 3.986643  2.110528       1.836816  3.581524       2.530646  0.4727276      2.670276  4.026141       7.973287  
1 1 1 28 8  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 8  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 9  0  o 42.69363 1.393349  19.00752       1.015879  17.13819       1.996892  19.66024       1.179984  0.000000       0.000000  
1 1 1 28 9  1  o 32.12184 0.9880145 10.31289       0.6337040 11.17597       0.9189093 9.530185       0.8750820 2.558956       1.976029  
1 1 1 28 9  2  f 33.08958 1.049836  11.00556       0.6881010 10.71497       1.040629  11.23132       0.9172499 -0.7887154     2.099672  
1 1 1 28 9  3  o 66.16325 0.9041324 43.87651       1.192392  43.48590       1.755664  44.21095       1.624553  -0.5563354     1.808265  
1 1 1 28 9  4  o 24.18822 1.348608  5.998886       0.6284291 5.380198       1.006867  6.393701       0.8043275 -2.117899      2.697216  
1 1 1 28 9  5  o 30.70709 1.297307  10.10231       0.7065609 8.045514       1.275923  11.01200       0.8485451 -4.880592      2.594613  
1 1 1 28 9  6  o 31.96444 1.041956  10.51702       0.6399893 9.180542       1.022671  11.37736       0.8205178 -3.457909      2.083912  
1 1 1 28 9  7  o 9.679470 2.439510  0.8188981      0.6015813 0.6045772      0.8875424 1.001042       0.8182095 -1.035928      4.879021  
1 1 1 28 9  8  o 20.90484 1.667848  4.257629       0.6847342 3.475200       0.8786555 5.467659       1.092683  -4.718691      3.335696  
1 1 1 28 9  9  o 25.89684 2.302673  7.872178       0.8415284 8.416253       0.9386133 5.642768       1.899994  6.030621       4.605347  
1 1 1 28 9  10 o 42.06644 0.9840435 17.82669       0.8217060 18.02372       1.100390  17.57833       1.235433  0.5579796      1.968087  
1 1 1 28 9  11 o 25.97928 2.193093  6.646943       1.060265  6.154757       1.264306  7.813478       1.946422  -2.856750      4.386186  
1 1 1 28 9  12 o 29.49848 2.375368  9.195650       1.376977  8.487953       2.099982  9.729427       1.823779  -2.291397      4.750735  
1 1 1 28 9  13 o 9.690958 4.419317  0.000000       0.000000  ?              ?         -0.8389194     1.911474  ?              ?         
1 1 1 28 9  14 o 13.23256 3.263049  1.882211       1.036599  2.093196       1.244216  1.403449       1.874263  0.9233618      6.526097  
1 1 1 28 9  15 f 16.44421 3.040927  3.401312       1.086898  4.610981       1.449106  1.845574       1.643368  7.177611       6.081853  
1 1 1 28 9  16 o 12.39242 3.804095  1.047218       1.807251  2.328995       2.536636  -0.2741190     2.575483  2.903053       7.608190  
1 1 1 28 9  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 9  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 10 0  o 11.74666 3.326341  2.066873       0.7822642 1.208029       1.682425  2.303758       0.8835844 0.000000       0.000000  
1 1 1 28 10 1  o 47.80630 0.8556064 22.69536       0.8101506 21.60422       1.063430  24.20454       1.250659  -2.709003      1.711213  
1 1 1 28 10 2  o 35.29730 1.162918  12.49323       0.8190341 12.50819       1.120979  12.47610       1.199592  0.5181885E-01  2.325837  
1 1 1 28 10 3  f 24.53988 1.278279  5.985569       0.6227154 5.594652       0.8223870 6.510917       0.9533630 -1.853651      2.556558  
1 1 1 28 10 4  o 20.58283 1.616871  4.274043       0.6631185 4.150470       0.9725385 4.381408       0.9065204 -0.5707474     3.233742  
1 1 1 28 10 5  o 14.20889 2.255202  2.129239       0.6249203 2.095925       0.9125150 2.158663       0.8575824 -0.2309952     4.510404  
1 1 1 28 10 6  o 30.15199 1.089589  9.071556       0.6433668 9.375704       1.026991  8.875091       0.8254057 0.8070755      2.179177  
1 1 1 28 10 7  o 33.37325 0.9561406 11.20865       0.6214419 11.00947       0.9951483 11.33597       0.7956519 -0.5118027     1.912281  
1 1 1 28 10 8  o 30.70506 1.401611  9.490118       0.8601718 9.973624       1.237461  9.038086       1.196506  1.515528       2.803221  
1 1 1 28 10 9  o 17.86980 2.092200  3.222486       0.7025563 2.995893       0.8694839 3.648688       1.192468  -1.405918      4.184400  
1 1 1 28 10 10 o 10.39846 2.476953  1.012880       0.6060042 0.7767121      0.7871150 1.356627       0.9496149 -2.172895      4.953906  
1 1 1 28 10 11 o 12.12551 2.720271  1.420226       0.7236546 2.023477       1.207426  1.082069       0.9040066 3.204170       5.440542  
1 1 1 28 10 12 o 37.40028 2.267277  14.64249       1.676850  15.11508       2.235830  14.03489       2.535116  1.638058       4.534555  
1 1 1 28 10 13 f 9.977437 3.122600  -0.6291612E-01 1.099957  -0.3503276E-01 1.278150  -0.1425273     2.159714  -2.242191      6.245201  
1 1 1 28 10 14 o 27.66724 2.110765  7.705595       1.114040  7.027098       1.359406  9.093097       1.943981  -3.263926      4.221530  
1 1 1 28 10 15 o 13.00647 3.285445  1.855901       1.051463  1.444727       1.316994  2.578725       1.746171  -2.807885      6.570891  
1 1 1 28 10 16 o 12.61494 3.868826  1.375174       1.798610  1.398638       2.696286  1.356361       2.414255  0.3339005      7.737652  
1 1 1 28 10 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 10 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 11 0  o 15.45010 3.337347  2.937641       0.8030807 3.027645       1.666051  2.910399       0.9165949 0.000000       0.000000  
1 1 1 28 11 1  o 15.78590 1.887621  2.582260       0.5738024 3.074685       0.8066072 2.077755       0.8164404 3.403364       3.775242  
1 1 1 28 11 2  o 62.62605 1.066364  39.42040       1.318563  38.66080       2.023260  39.98118       1.738441  -1.077709      2.132729  
1 1 1 28 11 3  o 16.66476 1.666125  2.803250       0.5517051 2.862248       0.7437552 2.731072       0.8226547 0.4050961      3.332250  
1 1 1 28 11 4  o 14.80433 1.934747  2.340491       0.5462031 3.270207       0.7702432 1.400054       0.7746714 6.447476       3.869495  
1 1 1 28 11 5  o 35.65274 0.9646282 12.84085       0.6751947 13.28492       0.8835269 12.21741       1.046854  1.513248       1.929256  
1 1 1 28 11 6  o 15.54503 2.289972  2.507791       0.6592793 2.483205       1.165117  2.519371       0.7996020 -0.5029526     4.579943  
1 1 1 28 11 7  o 5.864677 1.968860  -0.9346682     0.5791874 -1.010661      1.007343  -0.8971394     0.7078992 1.311657       3.937720  
1 1 1 28 11 8  o 25.19967 1.669385  6.421957       0.8403196 6.317408       1.156113  6.539056       1.223534  -0.4223595     3.338770  
1 1 1 28 11 9  o 13.83838 2.446446  2.077998       0.6637084 2.202864       0.8391604 1.869397       1.084633  1.148084       4.892892  
1 1 1 28 11 10 o 7.467427 2.298741  -0.4987144     0.6216689 -0.9835405     0.7512768 0.5542647      1.107177  -4.328478      4.597482  
1 1 1 28 11 11 o 28.02680 1.259249  8.094522       0.6703919 8.474376       0.8387589 7.422654       1.115503  1.959400       2.518499  
1 1 1 28 11 12 f 16.01145 2.404194  2.533638       0.7540259 3.914385       1.241174  1.725958       0.9492819 6.757686       4.808387  
1 1 1 28 11 13 o 12.00398 3.264502  0.8946214      1.041153  0.3219059      1.236044  2.293486       1.931755  -5.257086      6.529004  
1 1 1 28 11 14 o 30.03571 2.079960  8.798971       1.161103  7.763613       1.374629  11.37694       2.169099  -5.336123      4.159919  
1 1 1 28 11 15 o 14.58985 2.940935  2.671499       1.100729  4.233541       1.404570  0.1852335      1.772029  8.918411       5.881871  
1 1 1 28 11 16 o 16.45333 4.019415  3.739177       1.887153  6.278917       2.565082  0.7424939      2.786294  8.639694       8.038831  
1 1 1 28 11 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 12 0  o 47.74809 1.365016  22.05829       1.190795  25.20394       2.237381  20.81507       1.406560  0.000000       0.000000  
1 1 1 28 12 1  o 73.33273 0.8390756 53.86422       1.230630  54.05407       1.742668  53.67537       1.738087  0.2578888      1.678151  
1 1 1 28 12 2  o 35.48073 1.164440  12.50697       0.8212709 11.55437       1.090351  13.75606       1.248564  -3.086498      2.328880  
1 1 1 28 12 3  o 11.02337 2.437690  1.137271       0.6045285 1.703979       0.9430727 0.7419776      0.7876346 3.472653       4.875379  
1 1 1 28 12 4  o 43.78948 0.8407387 19.16898       0.7354557 18.14306       1.012546  20.31465       1.070014  -2.474743      1.681477  
1 1 1 28 12 5  o 26.62713 1.180084  7.105867       0.6230593 7.018062       0.8263308 7.221560       0.9485329 -0.3669739     2.360168  
1 1 1 28 12 6  o 49.02969 0.7963029 24.04347       0.7801353 25.26997       1.131818  22.93332       1.076793  2.377972       1.592606  
1 1 1 28 12 7  o 17.23802 1.714102  3.120192       0.5605463 2.521845       0.8343901 3.612367       0.7567494 -3.397274      3.428204  
1 1 1 28 12 8  o 14.38642 1.914242  2.267320       0.4727359 1.892933       0.9025212 2.408874       0.5549555 -2.143889      3.828484  
1 1 1 28 12 9  f 14.88714 2.326798  2.642182       0.6352814 3.075320       0.7492172 1.534013       1.198388  5.069716       4.653595  
1 1 1 28 12 10 o 26.95757 1.411944  7.346613       0.7581282 7.269548       1.024392  7.439938       1.127290  -0.2850800     2.823887  
1 1 1 28 12 11 o 26.44833 1.464543  7.314579       0.7205422 7.730277       0.8863632 6.504610       1.237246  2.447634       2.929086  
1 1 1 28 12 12 o 22.13292 1.564651  5.356749       0.5865921 5.747047       0.6854044 4.288255       1.134056  3.481808       3.129303  
1 1 1 28 12 13 o 25.75266 2.178122  6.852068       1.071132  6.614641       1.322010  7.305785       1.827520  -0.9457588     4.356245  
1 1 1 28 12 14 o 33.20316 1.816395  11.45062       1.187321  11.09970       1.539414  11.96589       1.865406  -1.015358      3.632790  
1 1 1 28 12 15 o 15.65246 3.341403  3.041067       0.9277029 3.104881       0.9869345 2.556794       2.718800  2.070848       6.682807  
1 1 1 28 12 16 o 19.99469 3.136848  4.474071       1.254406  4.474071       1.254406  ?              ?         ?              ?         
1 1 1 28 12 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 13 0  o 8.269303 3.459492  0.7783388      0.8615101 0.9945720      1.712857  0.7051127      0.9967654 0.000000       0.000000  
1 1 1 28 13 1  o 30.46951 1.130212  9.353172       0.6852495 8.839634       1.003730  9.801468       0.9378042 -1.585112      2.260424  
1 1 1 28 13 2  o 69.41252 1.053859  48.83806       1.362979  49.77765       1.659356  46.88944       2.389654  2.151428       2.107718  
1 1 1 28 13 3  o 33.37788 1.053476  11.11803       0.6983112 11.63962       1.061815  10.72049       0.9269822 1.362862       2.106952  
1 1 1 28 13 4  o 29.15017 1.134748  8.515007       0.6534396 8.438038       0.8576308 8.621523       1.008893  -0.2969170     2.269496  
1 1 1 28 13 5  o 51.09070 0.8459488 26.15841       0.8540827 26.15713       1.124413  26.16016       1.313139  0.1392746E-01  1.691898  
1 1 1 28 13 6  o 23.09001 1.267888  5.343832       0.5788875 5.248317       0.7603528 5.475538       0.8928598 -0.4714184     2.535775  
1 1 1 28 13 7  o 44.19781 0.8771646 19.67686       0.7615684 20.06098       0.9934416 19.12939       1.186005  1.076824       1.754329  
1 1 1 28 13 8  o 9.686321 2.466434  0.7644842      0.6376321 1.232700       0.8873184 0.2645234      0.9169053 2.684891       4.932867  
1 1 1 28 13 9  o 19.31687 2.016916  3.910777       0.6668901 3.951219       0.7818926 3.802824       1.277457  0.8865910      4.033833  
1 1 1 28 13 10 o 10.37101 2.579444  1.024312       0.6406621 1.158659       0.7630088 0.7032212      1.179586  0.4112101      5.158889  
1 1 1 28 13 11 f 17.39986 2.273882  3.322665       0.6289606 3.411314       0.7104515 3.001375       1.352527  1.866806       4.547764  
1 1 1 28 13 12 o 18.28422 1.891461  3.570742       0.5607809 3.639598       0.6425548 3.350690       1.148690  1.348204       3.782923  
1 1 1 28 13 13 o 11.29359 2.110663  1.485951       0.4778793 1.713449       0.5508829 0.7941909      0.9606124 3.270642       4.221327  
1 1 1 28 13 14 o 17.81083 3.388237  3.327038       0.9379713 3.095663       1.008631  4.806993       2.550930  -2.162386      6.776474  
1 1 1 28 13 15 o 12.48010 3.510865  1.797327       0.9129595 1.797327       0.9129595 ?              ?         ?              ?         
1 1 1 28 13 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 13 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 14 0  o 36.37573 1.529140  12.95732       0.9510386 14.31478       1.956692  12.53745       1.088227  0.000000       0.000000  
1 1 1 28 14 1  o 53.16836 1.001363  28.00765       1.007910  29.38774       1.751301  27.32413       1.232485  1.890949       2.002726  
1 1 1 28 14 2  o 27.89150 1.425851  7.053487       0.7358520 5.955490       0.8641733 9.949209       1.403391  -7.082586      2.851701  
1 1 1 28 14 3  o 10.86554 2.502374  0.9927327      0.6151683 0.5956363      0.7581393 1.758097       1.052531  -4.270559      5.004748  
1 1 1 28 14 4  o 48.80173 0.8888050 23.93003       0.8564095 24.24693       1.128806  23.50022       1.314609  0.7823830      1.777610  
1 1 1 28 14 5  o 24.66302 1.264957  5.940647       0.6143208 5.141883       0.7891120 7.169494       0.9787647 -4.083664      2.529914  
1 1 1 28 14 6  o 55.38147 0.8727074 30.95417       0.9565236 32.32917       1.281206  29.22264       1.437743  2.822266       1.745415  
1 1 1 28 14 7  o 33.18655 1.022902  11.11359       0.6757246 10.39478       0.9834676 11.75639       0.9300095 -2.060108      2.045803  
1 1 1 28 14 8  o 21.71165 1.384848  4.767857       0.6004626 4.989028       0.8415016 4.538421       0.8570773 1.041683       2.769696  
1 1 1 28 14 9  o 10.58033 2.546031  1.135113       0.6474255 1.437733       0.7471649 0.2231778      1.297029  2.081673       5.092062  
1 1 1 28 14 10 o 9.728739 2.662907  0.6183422      0.6682357 0.4950572      0.7792001 0.9610994      1.299233  -2.634217      5.325815  
1 1 1 28 14 11 o 12.42920 2.242398  2.029066       0.6421766 2.685513       0.7181235 -0.5913144     1.434767  7.594226       4.484797  
1 1 1 28 14 12 o 29.50222 1.315036  8.377820       0.6612753 7.969793       0.7501447 9.800302       1.400630  -2.798651      2.630072  
1 1 1 28 14 13 o 14.22385 2.188851  1.789190       0.4973311 1.522790       0.5483153 3.025153       1.181043  -4.531026      4.377703  
1 1 1 28 14 14 o 22.91764 1.854009  5.873589       0.7336058 8.963331       1.053954  2.969801       1.021746  13.25063       3.708018  
1 1 1 28 14 15 o 19.11729 3.756295  4.276102       1.385024  4.276102       1.385024  ?              ?         ?              ?         
1 1 1 28 14 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 14 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 15 0  o 30.21206 1.759509  9.118023       0.9197143 9.837709       1.827511  8.873923       1.064318  0.000000       0.000000  
1 1 1 28 15 1  o 31.55156 1.216147  9.892099       0.7422476 10.40602       1.229449  9.597358       0.9310758 1.244717       2.432293  
1 1 1 28 15 2  o 38.62685 0.9547142 14.97922       0.7358238 15.26910       1.012401  14.65461       1.071321  0.8012657      1.909428  
1 1 1 28 15 3  o 29.55532 1.212547  8.839742       0.6850975 9.006261       0.8561794 8.543337       1.142286  0.8191738      2.425093  
1 1 1 28 15 4  o 8.090804 2.096025  0.2053201E-01  0.5406489 -0.9574962     0.7285486 1.219276       0.8065776 -5.693700      4.192050  
1 1 1 28 15 5  o 26.94401 1.205459  7.380147       0.6329571 7.702477       0.8189285 6.901879       0.9975417 1.512177       2.410919  
1 1 1 28 15 6  o 12.44647 2.195003  1.592102       0.5531095 1.109466       0.7400931 2.202723       0.8324583 -4.031558      4.390005  
1 1 1 28 15 7  o 48.10876 0.9683475 23.24288       0.9287066 20.79181       1.292662  25.85773       1.335148  -5.257603      1.936695  
1 1 1 28 15 8  o 25.49357 1.154361  6.534457       0.5848805 5.580373       0.8063365 7.593805       0.8496546 -3.938837      2.308723  
1 1 1 28 15 9  o 8.600349 2.299334  0.5658221      0.5449740 0.3633319      0.8394881 0.7133142      0.7164679 -0.6385365     4.598668  
1 1 1 28 15 10 o 10.59702 2.759359  0.9749028      0.6992751 1.004777       0.8050343 0.8830838      1.411350  -1.036012      5.518719  
1 1 1 28 15 11 o 13.50568 2.651989  1.837409       0.6622815 1.692257       0.7593792 2.298625       1.353626  -1.945888      5.303979  
1 1 1 28 15 12 o 10.57518 2.644637  0.8164522      0.6219321 0.5045298      0.7105740 1.837920       1.285874  -4.892877      5.289274  
1 1 1 28 15 13 o 8.923702 2.441693  0.6205526      0.5405883 0.6692231      0.6055936 0.4296563      1.199353  -1.083756      4.883385  
1 1 1 28 15 14 o 17.22615 2.006124  2.825302       0.5296398 2.594646       0.5818613 3.940029       1.279147  -2.715572      4.012249  
1 1 1 28 15 15 f 8.801929 2.435082  -0.3178104     0.6925735 1.856664       1.222544  -1.345446      0.8404404 7.266849       4.870165  
1 1 1 28 15 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 15 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 16 0  f 68.45152 1.387695  46.98070       1.898057  46.98070       1.898057  46.98070       1.898057  0.000000       0.000000  
1 1 1 28 16 1  o 20.10653 1.567155  4.076206       0.6226799 3.289440       0.8613394 4.937511       0.9012184 -4.091848      3.134311  
1 1 1 28 16 2  o 23.19772 1.388967  5.406976       0.6439966 5.686225       0.9257784 5.145153       0.8964280 1.161917       2.777933  
1 1 1 28 16 3  o 26.00815 1.183614  6.789787       0.6151010 6.719883       0.8498429 6.866699       0.8914136 -0.2769547     2.367228  
1 1 1 28 16 4  o 34.25544 0.9814882 11.75028       0.6712868 11.41247       0.9180628 12.13839       0.9840549 -1.051811      1.962976  
1 1 1 28 16 5  o 12.57268 2.314667  1.743166       0.5884444 2.032723       0.7358581 1.229572       0.9800246 2.713886       4.629334  
1 1 1 28 16 6  o 48.79435 0.8893210 23.90130       0.8620467 23.81852       1.295141  23.96715       1.155082  -0.1718864     1.778642  
1 1 1 28 16 7  o 17.45875 1.635456  3.110991       0.5655885 3.582438       0.7972931 2.633415       0.8024579 2.719433       3.270913  
1 1 1 28 16 8  o 24.79568 1.673719  6.897974       0.7120081 7.753384       0.8509828 4.901556       1.300049  5.899437       3.347439  
1 1 1 28 16 9  f 12.50045 2.319309  1.719883       0.5848395 1.939530       0.7413266 1.357873       0.9517175 2.030068       4.638617  
1 1 1 28 16 10 o 41.29638 1.341283  17.23548       1.086578  17.01025       1.402076  17.57415       1.719299  -0.5670471     2.682565  
1 1 1 28 16 11 o 14.60576 2.588095  2.467311       0.7388297 2.790144       0.8696597 1.629895       1.400654  3.732831       5.176190  
1 1 1 28 16 12 o 19.83155 2.020383  3.862649       0.6968431 3.637655       0.7975357 4.588727       1.432703  -1.944008      4.040766  
1 1 1 28 16 13 o 14.17926 2.414646  2.227548       0.5706192 2.270684       0.6322269 2.038012       1.325247  1.371999       4.829293  
1 1 1 28 16 14 o 19.07579 1.704148  3.740596       0.6501595 3.740596       0.6501595 ?              ?         ?              ?         
1 1 1 28 16 15 o 11.56629 2.969213  1.520814       0.8836903 1.504802       1.179114  1.541333       1.334763  -0.2025986     5.938427  
1 1 1 28 16 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 16 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 17 0  o 34.88943 1.653795  11.91294       0.9799395 13.30831       2.034198  11.49127       1.118246  0.000000       0.000000  
1 1 1 28 17 1  o 28.10403 1.194480  7.981652       0.6618636 9.662346       0.9462591 6.371809       0.9260997 5.851671       2.388961  
1 1 1 28 17 2  o 74.71042 0.9276870 56.07442       1.383051  53.89896       1.999153  58.07141       1.915394  -2.800957      1.855374  
1 1 1 28 17 3  o 11.72384 2.129374  1.331931       0.5670514 0.3398553      0.7737795 2.482773       0.8333987 -7.393111      4.258748  
1 1 1 28 17 4  o 49.49078 0.9336492 24.70546       0.9057009 25.27970       1.177313  23.87289       1.417608  1.450100       1.867298  
1 1 1 28 17 5  o 33.17872 1.290168  10.96584       0.7964597 10.77151       0.9596821 11.39588       1.427649  -0.8571854     2.580335  
1 1 1 28 17 6  o 17.63099 1.869923  3.110322       0.6534017 3.603193       1.009380  2.754825       0.8572462 2.353880       3.739846  
1 1 1 28 17 7  o 32.35446 1.131300  10.57670       0.7229901 10.31760       1.105770  10.77017       0.9555299 -0.7327633     2.262600  
1 1 1 28 17 8  o 11.64633 2.127479  1.467981       0.5547523 2.282317       0.7503248 0.4861020      0.8239037 6.189040       4.254959  
1 1 1 28 17 9  o 25.94339 1.253644  6.951288       0.6354780 7.877980       0.8535707 5.798934       0.9518422 4.034988       2.507288  
1 1 1 28 17 10 o 13.67093 2.849815  2.204808       0.7961772 2.516239       0.8876219 0.9226812      1.800999  3.348558       5.699629  
1 1 1 28 17 11 o 7.006138 2.283009  -0.4905918     0.6552472 -0.3361811     0.7554811 -0.9594371     1.316436  -1.415861      4.566017  
1 1 1 28 17 12 o 10.43593 2.709643  1.030568       0.7390343 1.301817       0.8827257 0.3948264      1.351393  1.248591       5.419285  
1 1 1 28 17 13 o 9.136383 2.454462  0.7314086      0.6411862 1.111623       0.7284845 -0.5758906     1.350807  1.989311       4.908924  
1 1 1 28 17 14 o 13.10690 2.825312  1.770041       0.6646210 1.617700       0.7311476 2.494741       1.594684  -2.247190      5.650623  
1 1 1 28 17 15 o 10.04932 2.884786  0.8411537      0.9205390 1.246526       1.297608  0.4304509      1.306111  1.601314       5.769571  
1 1 1 28 17 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 18 0  o 7.826209 3.327034  0.6523170      0.9421160 -0.2617376     1.709470  1.051048       1.129055  0.000000       0.000000  
1 1 1 28 18 1  o 45.08355 0.9747046 20.41970       0.8675303 20.57983       1.141517  20.20078       1.334773  0.4425964      1.949409  
1 1 1 28 18 2  o 28.60029 1.187033  8.158587       0.6704140 6.496886       0.9085414 10.14496       0.9933407 -6.365278      2.374066  
1 1 1 28 18 3  o 45.45634 0.9424098 20.49382       0.8508211 22.74680       1.300336  18.80720       1.125086  4.311970       1.884820  
1 1 1 28 18 4  o 16.60686 2.014714  2.811197       0.6362878 1.848618       0.8484657 4.048252       0.9618573 -6.804838      4.029428  
1 1 1 28 18 5  o 41.84646 1.006153  17.55677       0.8227219 17.40561       1.054331  17.79213       1.315570  -0.4164543     2.012306  
1 1 1 28 18 6  o 25.49879 1.265297  6.682611       0.6324959 7.758685       0.8659862 5.452235       0.9259946 4.536341       2.530595  
1 1 1 28 18 7  o 8.529285 2.151729  0.1712999      0.5498669 -0.7065948     0.7201260 1.398868       0.8515499 -6.004783      4.303458  
1 1 1 28 18 8  o 10.28316 2.358671  1.065709       0.5733117 1.386346       0.7582771 0.6378153      0.8759684 2.287058       4.717341  
1 1 1 28 18 9  o 13.58949 2.183253  2.103756       0.6086893 2.845173       0.7943924 1.049487       0.9472830 6.218147       4.366506  
1 1 1 28 18 10 o 19.54570 1.518858  3.712210       0.5723841 5.482540       0.9136611 2.568568       0.7343500 7.378206       3.037717  
1 1 1 28 18 11 o 6.365159 2.151888  -1.248236      0.7468623 -0.8762087     0.9057528 -2.038525      1.320126  -0.4629045     4.303775  
1 1 1 28 18 12 o 11.94117 2.632082  1.603295       0.6478133 1.767427       0.7256937 0.9593707      1.437387  1.643747       5.264164  
1 1 1 28 18 13 o 11.65954 2.898744  1.485589       0.8213924 1.560970       1.018067  1.345008       1.390297  0.2182446      5.797488  
1 1 1 28 18 14 o 17.84780 2.703347  3.243928       0.8026919 2.824238       0.9025423 4.832083       1.755697  -3.828734      5.406694  
1 1 1 28 18 15 o 17.40754 3.151961  4.001854       1.120737  4.701108       1.536965  3.207883       1.637756  4.100893       6.303921  
1 1 1 28 18 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 19 0  o 9.496063 3.521180  0.5788828      0.8485940 2.707229       1.725894  -0.9970012E-01 0.9745284 0.000000       0.000000  
1 1 1 28 19 1  o 33.90705 1.139032  11.51382       0.7653214 11.82353       1.170887  11.28282       1.011235  0.7738190      2.278064  
1 1 1 28 19 2  o 27.60433 1.357077  7.926176       0.7207316 8.900109       0.9393852 6.532437       1.123749  4.320461       2.714154  
1 1 1 28 19 3  o 19.67051 1.588131  3.925794       0.6216898 4.180402       0.8573292 3.643438       0.9028393 1.374853       3.176263  
1 1 1 28 19 4  o 48.61440 0.9459025 23.62706       0.9143894 24.69324       1.380932  22.79461       1.220214  1.927162       1.891805  
1 1 1 28 19 5  o 32.74787 1.067363  10.37221       0.6748980 9.315331       0.8345861 12.36931       1.147252  -4.601612      2.134726  
1 1 1 28 19 6  o 37.26579 1.040380  14.12368       0.7642534 15.05119       1.020038  12.93667       1.153941  2.865402       2.080760  
1 1 1 28 19 7  o 39.52923 0.9546922 15.61519       0.7524197 14.44099       1.017270  17.03348       1.118015  -3.258942      1.909384  
1 1 1 28 19 8  f 23.96465 1.328974  5.655249       0.6199403 4.072230       0.8134434 7.848737       0.9575294 -7.836210      2.657948  
1 1 1 28 19 9  o 34.83467 1.003650  12.29271       0.6955212 13.46266       0.9709994 11.05992       0.9967364 3.456047       2.007300  
1 1 1 28 19 10 o 31.10563 1.163179  9.406869       0.6863123 10.96593       1.212160  8.671268       0.8326252 3.560081       2.326359  
1 1 1 28 19 11 o 13.91323 2.627352  2.090228       0.6480663 2.086122       0.7268855 2.106138       1.430955  0.1224794      5.254704  
1 1 1 28 19 12 o 15.84535 3.046534  1.553560       0.6916069 1.126359       0.7286093 5.441924       2.198173  -11.10277      6.093067  
1 1 1 28 19 13 o 10.30554 2.657396  1.074555       0.6471969 1.115107       0.7381746 0.9397889      1.345690  -0.4501677     5.314792  
1 1 1 28 19 14 o 9.604340 2.918243  0.4235219      0.8139407 0.3091516      0.9021070 0.9243246      1.887708  -3.216706      5.836486  
1 1 1 28 19 15 o 14.83227 4.846879  0.000000       0.000000  ?              ?         3.008675       1.652877  ?              ?         
1 1 1 28 19 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 20 0  o 50.20198 1.480386  26.17800       1.277795  23.96204       2.500684  26.96104       1.486511  0.000000       0.000000  
1 1 1 28 20 1  o 11.61183 2.736003  1.156383       0.7072927 0.8290961      0.8505848 1.889835       1.273325  -3.833533      5.472006  
1 1 1 28 20 2  o 21.79408 1.480582  4.782814       0.6445123 4.474413       0.8888175 5.124800       0.9359649 -1.481621      2.961165  
1 1 1 28 20 3  o 40.53532 1.021780  16.53132       0.8064222 16.58552       1.029973  16.44546       1.296335  0.2197342      2.043561  
1 1 1 28 20 4  o 10.68724 2.455057  1.140985       0.6130573 1.426313       0.8350677 0.8074313      0.9028864 1.914135       4.910114  
1 1 1 28 20 5  f 35.71749 1.583466  13.04019       1.084228  12.54830       1.792647  13.32391       1.361476  -1.217251      3.166932  
1 1 1 28 20 6  o 22.22697 1.627622  5.023658       0.7225004 4.940437       1.044970  5.099876       1.000049  -0.3743515     3.255244  
1 1 1 28 20 7  o 32.41177 1.062781  10.60202       0.6844686 10.80177       0.9221827 10.35699       1.021368  0.7090378      2.125562  
1 1 1 28 20 8  o 19.12561 1.657035  3.730032       0.6310859 3.739069       0.8545451 3.719191       0.9359848 0.8577156E-01  3.314070  
1 1 1 28 20 9  o 7.816399 2.322431  0.3840499E-01  0.6153001 -0.2793276     0.7985502 0.5026938      0.9653071 -2.375875      4.644862  
1 1 1 28 20 10 o 11.42270 2.615140  1.372512       0.6810503 1.487225       0.9918057 1.270161       0.9368436 0.7419786      5.230280  
1 1 1 28 20 11 o 11.05793 2.266801  1.195744       0.5397500 1.954162       0.8753645 0.7305204      0.6855915 4.536737       4.533602  
1 1 1 28 20 12 o 9.111547 2.663770  0.4744373      0.6868768 0.4778534      0.7785456 0.4624394      1.459051  -1.858098      5.327540  
1 1 1 28 20 13 o 11.72802 2.574254  1.660239       0.6689990 1.923164       0.7764688 0.9027284      1.317959  2.701230       5.148507  
1 1 1 28 20 14 o 14.22625 3.484359  2.376722       0.9848623 2.376722       0.9848623 ?              ?         ?              ?         
1 1 1 28 20 15 o 13.12240 4.683027  0.000000       0.000000  ?              ?         2.312769       1.556623  ?              ?         
1 1 1 28 20 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 21 0  o 17.96519 3.848992  4.053966       1.205656  4.686012       1.802933  3.542689       1.621562  0.000000       0.000000  
1 1 1 28 21 1  o 23.67126 1.768164  6.071099       0.7691807 6.927833       0.9636917 4.567291       1.276766  5.078506       3.536327  
1 1 1 28 21 2  f 23.29947 1.427902  5.470588       0.6628797 5.318926       0.8942370 5.655575       0.9876092 -0.6980610     2.855804  
1 1 1 28 21 3  o 28.00797 1.203558  7.950725       0.6699357 8.738191       0.9321498 7.109415       0.9634919 2.914558       2.407116  
1 1 1 28 21 4  f 15.74619 1.974584  2.530237       0.6053211 2.238640       0.7985662 2.924072       0.9280607 -2.359709      3.949168  
1 1 1 28 21 5  o 55.64197 0.9030635 31.12878       1.001950  31.30349       1.367251  30.92613       1.472543  0.3596153      1.806127  
1 1 1 28 21 6  o 10.64494 2.651284  1.078113       0.7047876 0.5142994      1.239697  1.347371       0.8567051 -1.420544      5.302568  
1 1 1 28 21 7  f 11.75161 2.534243  1.315570       0.6480802 0.8784329      0.8157859 2.063439       1.067039  -4.122213      5.068486  
1 1 1 28 21 8  o 24.70274 1.353595  6.105079       0.6539804 5.799122       0.8325181 6.598134       1.056845  -1.531458      2.707190  
1 1 1 28 21 9  o 28.35686 1.265768  8.215431       0.7089711 8.688334       0.9490145 7.618180       1.066513  1.929077       2.531536  
1 1 1 28 21 10 o 7.401073 2.289025  -0.9955575E-01 0.6322414 -0.8573612E-01 0.9947906 -0.1089206     0.8189041 0.7602611      4.578050  
1 1 1 28 21 11 o 10.56232 2.369742  1.142537       0.5801267 0.7235774      0.8081766 1.587888       0.8332435 -2.964142      4.739483  
1 1 1 28 21 12 o 10.14793 2.763645  0.7682235      0.7026820 0.5294570      0.8099943 1.494489       1.412678  -3.543221      5.527290  
1 1 1 28 21 13 o 23.44504 2.117801  5.073684       0.7778275 4.581184       0.8501715 7.603653       1.926910  -4.906021      4.235603  
1 1 1 28 21 14 o 14.02552 3.150371  2.088113       0.8135998 1.767221       0.8970193 3.576647       1.931979  -3.714960      6.300741  
1 1 1 28 21 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 22 0  o 7.072917 3.228710  -0.2503971     1.087055  0.8945268      1.566346  -1.314239      1.509864  0.000000       0.000000  
1 1 1 28 22 1  o 9.312243 2.436934  0.6372072      0.6408808 1.141196       0.8555235 -0.7274137E-02 0.9674462 2.730001       4.873867  
1 1 1 28 22 2  o 11.07961 2.579852  1.234893       0.6625721 1.389883       0.8522649 0.9981068      1.053415  0.8954706      5.159704  
1 1 1 28 22 3  o 9.604146 2.452329  0.6832514      0.6347622 0.1434284      0.8623869 1.321499       0.9377154 -3.531582      4.904659  
1 1 1 28 22 4  o 17.84814 2.368800  3.358528       0.8251849 3.819521       1.173913  2.908255       1.160184  2.848595       4.737601  
1 1 1 28 22 5  o 10.05667 2.522668  0.9288015      0.6373212 1.040280       0.8572067 0.7910146      0.9530014 0.5316210      5.045337  
1 1 1 28 22 6  o 21.20232 1.594094  4.595841       0.6713192 4.893806       0.9179674 4.253275       0.9842742 1.534258       3.188189  
1 1 1 28 22 7  o 25.62464 1.504963  6.703951       0.7627748 7.946452       1.090529  5.513818       1.067300  4.737616       3.009925  
1 1 1 28 22 8  o 14.57183 2.250420  2.218972       0.6318986 1.829561       0.8184898 2.793523       0.9941980 -3.119061      4.500840  
1 1 1 28 22 9  o 12.75085 2.361697  1.685777       0.5960950 1.383632       0.7479652 2.211739       0.9868503 -2.869730      4.723394  
1 1 1 28 22 10 o 24.69885 1.363017  6.216687       0.6703966 6.174474       0.9058108 6.267818       0.9968882 -0.1422615     2.726034  
1 1 1 28 22 11 o 11.04475 2.416117  1.283239       0.5940130 0.9693824      0.7998180 1.669300       0.8870624 -2.473373      4.832234  
1 1 1 28 22 12 o 16.40987 1.896519  2.906128       0.6065888 2.612151       0.8460368 3.217112       0.8701642 -2.048459      3.793038  
1 1 1 28 22 13 o 14.81647 2.947234  2.131608       0.8090336 1.520638       0.9190410 4.235230       1.705333  -6.760543      5.894469  
1 1 1 28 22 14 o 11.22709 3.150548  1.196508       0.9118589 0.9575902      1.034989  2.025225       1.927591  -2.985290      6.301097  
1 1 1 28 22 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 23 0  o 8.015942 3.366861  0.7647780      0.9438549 0.2196403      1.523105  1.104629       1.202600  0.000000       0.000000  
1 1 1 28 23 1  o 8.413349 2.379719  0.3683425      0.6138519 0.5798985      0.8536624 0.1418249      0.8833331 0.9968600      4.759439  
1 1 1 28 23 2  o 16.11925 2.187701  2.644793       0.6855500 2.014696       0.8987471 3.521528       1.060151  -4.835847      4.375402  
1 1 1 28 23 3  o 44.09904 1.070354  19.60453       0.9367447 19.39926       1.411195  19.76623       1.252476  -0.4524193     2.140709  
1 1 1 28 23 4  o 34.76783 1.176354  12.18779       0.8179384 12.19094       1.163067  12.18470       1.150514  0.5863190E-02  2.352709  
1 1 1 28 23 5  o 15.89202 2.260874  2.641918       0.7122228 4.224284       1.060839  1.343344       0.9610133 8.887570       4.521747  
1 1 1 28 23 6  o 39.40385 1.000198  15.63426       0.7876545 15.59859       1.092637  15.67284       1.136479  -0.8333206E-01 2.000395  
1 1 1 28 23 7  o 31.04638 1.390170  9.756724       0.8169340 9.685996       1.003478  9.895722       1.406757  -0.1783829     2.780341  
1 1 1 28 23 8  o 18.27610 2.059747  3.242647       0.7048802 2.217539       0.8801432 5.076122       1.177080  -7.874287      4.119493  
1 1 1 28 23 9  o 11.63851 2.950849  1.348375       0.8487098 1.044122       1.501276  1.491285       1.028904  -0.3694782     5.901698  
1 1 1 28 23 10 o 13.26092 2.453104  1.937372       0.7154245 0.8753961      1.023036  2.953797       1.000855  -6.483607      4.906209  
1 1 1 28 23 11 o 18.83347 1.872060  3.619786       0.6926586 3.008613       0.8869399 4.575272       1.108982  -3.918190      3.744120  
1 1 1 28 23 12 o 17.66372 1.671275  3.302058       0.5831642 3.153170       0.8834300 3.417039       0.7763456 -0.8656216     3.342549  
1 1 1 28 23 13 o 22.52420 2.478105  5.878146       0.9189151 5.962439       1.064662  5.631944       1.819547  2.469004       4.956210  
1 1 1 28 23 14 o 12.02897 3.228654  1.805306       1.070759  1.725082       1.482651  1.892761       1.548026  -0.3802786     6.457309  
1 1 1 28 23 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 24 0  o 8.474498 3.216369  0.8251097      0.9323663 -0.9877310     1.569865  1.813039       1.158899  0.000000       0.000000  
1 1 1 28 24 1  f 14.55577 2.727963  2.008172       0.7569838 1.541941       0.8954742 3.175582       1.416983  -4.990758      5.455927  
1 1 1 28 24 2  o 31.78286 1.179881  10.16463       0.7490649 9.502168       1.035480  10.89188       1.084925  -2.173986      2.359763  
1 1 1 28 24 3  o 13.52577 2.545419  1.902547       0.6953298 1.563995       0.8997610 2.404512       1.095599  -2.778310      5.090838  
1 1 1 28 24 4  o 21.74991 1.599082  4.843656       0.6886778 5.131322       0.9293938 4.493371       1.025568  1.500919       3.198164  
1 1 1 28 24 5  o 20.67587 1.724479  4.480577       0.6915995 5.052362       0.9153892 3.720095       1.055684  3.279623       3.448959  
1 1 1 28 24 6  o 9.585791 2.528072  0.7010934      0.6526248 0.3955410      0.8549101 1.127851       1.010342  -2.428130      5.056145  
1 1 1 28 24 7  o 9.456437 2.297513  0.4476589      0.7267807 1.715243       0.8763198 -2.345324      1.300793  6.268103       4.595025  
1 1 1 28 24 8  f 17.35398 2.164540  3.254934       0.7157788 3.472138       0.9352868 2.947882       1.112030  1.947786       4.329080  
1 1 1 28 24 9  o 7.775567 2.376455  -0.2116218     0.6787443 -0.6597602     0.8676199 0.4952438      1.089662  -3.008993      4.752910  
1 1 1 28 24 10 o 21.91007 1.820720  5.029144       0.7733320 6.600837       1.117523  3.584897       1.071257  6.848772       3.641441  
1 1 1 28 24 11 o 15.70598 2.480654  2.846410       0.7596713 3.115588       1.037413  2.535180       1.115509  1.933899       4.961308  
1 1 1 28 24 12 o 10.12111 2.878800  0.8694524      0.7735953 0.9198367      0.8612359 0.6590040      1.760138  -1.171314      5.757601  
1 1 1 28 24 13 o 7.930158 2.579551  -0.2283944     0.8322499 0.4788885E-01  0.9365960 -1.265197      1.814359  -0.8786354     5.159103  
1 1 1 28 24 14 o 17.09042 3.251284  3.936876       1.151322  4.587587       1.619808  3.272480       1.636754  3.421233       6.502568  
1 1 1 28 24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28 25 0  o 14.13106 3.947742  2.760154       1.136943  3.944137       1.712525  1.827003       1.520339  0.000000       0.000000  
1 1 1 28 25 1  o 42.86953 1.047004  18.49611       0.8970448 18.35960       1.243190  18.64437       1.295662  -0.3202019     2.094009  
1 1 1 28 25 2  o 35.40944 1.402256  12.45728       0.9835542 10.92636       1.288738  14.59290       1.522125  -5.104595      2.804512  
1 1 1 28 25 3  o 9.752204 2.582064  0.7655044      0.6844496 0.9543833      0.9621274 0.5719770      0.9738956 1.011217       5.164129  
1 1 1 28 25 4  o 29.57571 1.394300  8.886218       0.8225870 8.530776       1.191734  9.209666       1.136835  -1.166775      2.788599  
1 1 1 28 25 5  o 27.92670 1.361824  7.933098       0.7514122 8.039234       0.9927376 7.790722       1.149792  0.5051556      2.723649  
1 1 1 28 25 6  o 43.49432 1.054984  19.13168       0.9081516 19.41101       1.205797  18.76556       1.380498  0.7942963      2.109969  
1 1 1 28 25 7  o 28.77844 1.480992  8.418650       0.7906387 8.368832       0.9536703 8.528158       1.413933  -0.6006050E-01 2.961984  
1 1 1 28 25 8  o 15.76174 2.629309  3.584164       0.7971764 4.255912       0.8735714 0.2396004      1.949239  9.262731       5.258619  
1 1 1 28 25 9  o 24.09530 1.916606  6.517079       0.8269613 7.420058       1.019035  4.775474       1.415223  5.762695       3.833212  
1 1 1 28 25 10 o 10.88504 2.651902  1.270256       0.6966595 1.342610       0.9096329 1.167607       1.083457  0.3245058      5.303804  
1 1 1 28 25 11 o 11.01560 2.699937  1.311264       0.7156447 1.179488       0.9232849 1.509580       1.132654  -1.140646      5.399874  
1 1 1 28 25 12 o 8.308657 2.688412  -0.1786093     0.8024766 -0.1467962     0.8879433 -0.3204105     1.874658  -2.572352      5.376823  
1 1 1 28 25 13 o 12.07985 3.486507  1.665303       1.332580  1.859600       1.905028  1.479141       1.864724  0.6552763      6.973014  
1 1 1 28 25 14 o 20.80064 4.478346  0.000000       0.000000  ?              ?         5.804108       1.809736  ?              ?         
1 1 1 28 26 0  o 25.50768 3.460366  7.369937       1.570328  7.959155       2.177364  6.731265       2.266901  0.000000       0.000000  
1 1 1 28 26 1  o 15.18124 2.871484  2.499661       0.8641127 2.520624       1.452365  2.488175       1.075103  0.4307556E-01  5.742968  
1 1 1 28 26 2  o 38.15699 1.153401  14.60619       0.8745759 13.96616       1.162574  15.44060       1.327431  -1.885445      2.306801  
1 1 1 28 26 3  o 36.30341 1.171062  13.11100       0.8429332 11.08726       1.120959  15.74452       1.278738  -6.365585      2.342124  
1 1 1 28 26 4  o 14.18456 2.584098  2.238065       0.7400478 2.514674       0.9713418 1.855353       1.142550  2.143920       5.168196  
1 1 1 28 26 5  o 38.21169 1.135505  14.68928       0.8621293 14.22299       1.147604  15.29337       1.306205  -1.349285      2.271009  
1 1 1 28 26 6  o 21.76053 1.696263  4.800807       0.7298336 4.526160       0.9520311 5.192273       1.136606  -1.434759      3.392525  
1 1 1 28 26 7  o 15.02517 2.542715  2.473686       0.7485905 2.309159       0.9852266 2.698406       1.151432  -1.095061      5.085430  
1 1 1 28 26 8  o 12.99864 2.630583  1.671916       0.6994801 1.183170       0.8547341 2.662930       1.217109  -4.741091      5.261165  
1 1 1 28 26 9  o 16.55358 2.681001  3.221330       0.8862343 3.912023       1.141266  2.172202       1.406559  5.399982       5.362003  
1 1 1 28 26 10 o 19.24306 2.010907  4.072824       0.7390752 4.482663       0.9911706 3.559586       1.109177  2.803492       4.021815  
1 1 1 28 26 11 o 11.14374 2.846264  1.168800       0.7490338 0.8621737      0.8813189 1.966464       1.421472  -3.451466      5.692529  
1 1 1 28 26 12 o 9.516836 2.774347  0.6947950      0.8199378 0.6875945      1.004874  0.7091392      1.418315  -0.8787336     5.548693  
1 1 1 28 26 13 o 8.714384 2.782355  -1.029394      1.166102  1.236639       1.624004  -3.441219      1.675432  4.524394       5.564709  
1 1 1 28 26 14 o 17.55701 4.802107  0.000000       0.000000  ?              ?         4.571047       1.734292  ?              ?         
1 1 1 28 27 0  o 22.98290 4.409370  5.968678       1.815976  5.968678       1.815976  5.968678       1.815976  0.000000       0.000000  
1 1 1 28 27 1  o 44.48314 1.057111  19.98212       0.9391862 20.47387       1.304986  19.45374       1.352719  1.160603       2.114223  
1 1 1 28 27 2  o 11.26957 2.614724  1.159030       0.7878332 -0.1380191     1.194402  2.157961       1.048190  -5.565551      5.229448  
1 1 1 28 27 3  o 28.43552 1.502898  7.635850       0.8080544 6.534217       0.9697333 10.13841       1.461592  -6.123161      3.005796  
1 1 1 28 27 4  f 30.71609 1.300183  9.429222       0.7930685 8.375074       1.050037  10.82911       1.210042  -3.935720      2.600366  
1 1 1 28 27 5  o 16.43599 2.322045  2.896678       0.7315344 2.759633       0.9713871 3.076231       1.111879  -0.8214836     4.644091  
1 1 1 28 27 6  o 51.80734 1.062007  27.39077       1.073736  28.28578       1.388639  26.06003       1.693250  2.269032       2.124013  
1 1 1 28 27 7  o 41.13235 1.208821  17.17385       0.9937087 18.11750       1.423837  16.27776       1.387500  2.219620       2.417643  
1 1 1 28 27 8  o 29.26518 1.684198  9.122152       0.8926306 9.589988       1.075257  8.084929       1.601042  2.897137       3.368397  
1 1 1 28 27 9  o 19.46816 2.007903  4.018622       0.7716653 3.879451       1.006849  4.216749       1.201327  -0.6355438     4.015807  
1 1 1 28 27 10 f 8.666739 2.659484  0.1696770      0.7966293 0.1389386      0.9553694 0.2398182      1.443170  -1.584162      5.318969  
1 1 1 28 27 11 o 17.30958 2.392786  3.408821       0.7729027 3.383895       0.9556084 3.455969       1.314294  0.7752228      4.785573  
1 1 1 28 27 12 o 7.845689 2.612292  -1.246522      0.9402523 -1.961521      1.124526  0.4148165      1.714139  -4.257895      5.224584  
1 1 1 28 27 13 o 19.99956 3.252157  5.350516       1.282813  6.222133       1.813303  4.477229       1.815041  4.204111       6.504315  
1 1 1 28 28 0  o 39.76727 1.777650  15.32926       1.278868  18.35064       2.443345  14.18921       1.500875  0.000000       0.000000  
1 1 1 28 28 1  o 10.15712 2.728374  0.7984799      0.7917783 1.226374       1.028564  0.1761305      1.240454  1.926634       5.456748  
1 1 1 28 28 2  o 18.04436 2.228913  3.554273       0.7627153 4.341067       1.038126  2.631428       1.124305  5.059882       4.457826  
1 1 1 28 28 3  o 13.09064 2.766818  1.848252       0.8099795 1.202442       1.181276  2.421320       1.112760  -3.541951      5.533637  
1 1 1 28 28 4  o 27.17130 1.779846  7.427132       0.9231698 7.041002       1.133951  8.186066       1.589754  -1.840790      3.559691  
1 1 1 28 28 5  o 29.27800 1.604183  9.151628       0.8956974 10.37709       1.161142  7.350906       1.407536  5.311794       3.208366  
1 1 1 28 28 6  o 13.14794 2.787267  1.902114       0.7862455 1.856312       1.047720  1.961159       1.189579  -0.3444395     5.574533  
1 1 1 28 28 7  o 12.13400 2.889736  1.556002       0.8299821 1.589481       1.139596  1.518184       1.211219  0.1256866      5.779473  
1 1 1 28 28 8  o 8.352274 2.581935  -0.4318717E-01 0.8262516 -0.3703976     1.193946  0.2575388      1.144608  -0.8975663     5.163870  
1 1 1 28 28 9  o 20.58753 1.921761  4.540182       0.7832257 4.585272       1.041474  4.481482       1.188286  0.4395847      3.843522  
1 1 1 28 28 10 o 21.04083 2.061112  5.201469       0.7700503 6.671681       1.022398  3.274063       1.170621  8.533661       4.122225  
1 1 1 28 28 11 o 12.82193 2.689911  2.010200       0.8046065 2.855525       1.094610  1.016598       1.186735  5.299137       5.379822  
1 1 1 28 28 12 o 11.20131 3.160401  1.336536       1.053445  0.9361388      1.360861  1.935220       1.664051  -2.192287      6.320802  
1 1 1 28 28 13 o 12.63131 3.514621  2.351878       1.307468  1.718220       1.757109  3.137985       1.957095  -2.454018      7.029243  
1 1 1 28 29 0  o 40.29185 1.835491  17.24064       1.354516  15.03631       2.327507  18.36953       1.665626  0.000000       0.000000  
1 1 1 28 29 1  o 25.91071 1.565005  6.855058       0.8095959 6.845766       1.112545  6.865516       1.180343  -0.5731583E-02 3.130009  
1 1 1 28 29 2  o 13.90339 2.920434  2.128431       0.9058725 2.791655       1.248549  1.391240       1.316332  3.876327       5.840868  
1 1 1 28 29 3  o 13.88719 2.659981  2.150036       0.7599943 2.356589       1.049179  1.922005       1.102382  1.390116       5.319963  
1 1 1 28 29 4  o 28.13680 1.562425  8.150864       0.8752732 8.708230       1.212717  7.544826       1.264556  2.096958       3.124850  
1 1 1 28 29 5  o 10.71697 2.866850  0.9586013      0.8474043 1.332774       1.253886  0.6440248      1.149702  1.867895       5.733700  
1 1 1 28 29 6  o 27.41103 1.682712  7.791656       0.9101881 9.306960       1.296777  6.320304       1.277833  5.435768       3.365423  
1 1 1 28 29 7  o 12.90820 2.678794  1.890007       0.7802622 2.575895       1.061670  1.084397       1.150602  4.412690       5.357588  
1 1 1 28 29 8  o 6.965150 2.282712  -0.8656416     0.7381577 -1.360705      0.9407452 -0.7255370E-01 1.190699  -2.668828      4.565423  
1 1 1 28 29 9  o 16.60104 2.375842  3.433116       0.7916718 5.061172       1.059735  1.377128       1.190893  10.60324       4.751684  
1 1 1 28 29 10 o 20.32898 1.940820  4.476834       0.7819268 4.480437       1.040942  4.472168       1.184548  0.2374916      3.881639  
1 1 1 28 29 11 o 8.948456 2.874550  -0.3835766     0.9860839 -0.8765918     1.151478  0.9723943      1.909636  -4.193249      5.749100  
1 1 1 28 29 12 o 11.09826 3.257176  0.9254323      1.263780  2.397296       1.844266  -0.3775280     1.735223  4.270726       6.514353  
1 1 1 28 29 13 o 11.20840 3.206643  1.103344       1.268164  -0.8506683     1.755727  3.234821       1.833723  -5.979758      6.413286  
1 1 1 28 30 0  o 48.72284 1.834014  24.45747       1.661046  24.07596       2.898370  24.64406       2.026932  0.000000       0.000000  
1 1 1 28 30 1  o 6.831356 2.252565  -0.8660085     0.7514462 -0.8816105     1.034068  -0.8485501     1.093862  -0.2914705     4.505130  
1 1 1 28 30 2  o 30.83309 1.445375  9.701497       0.8908266 9.312975       1.238097  10.11853       1.282726  -1.282806      2.890750  
1 1 1 28 30 3  o 18.39309 2.485958  3.736668       0.8681523 4.026226       1.117066  3.295026       1.379579  2.539789       4.971916  
1 1 1 28 30 4  o 17.71638 2.442064  3.443823       0.8335081 3.461336       1.156200  3.424873       1.202691  0.1634922      4.884127  
1 1 1 28 30 5  f 16.27202 2.419939  2.911985       0.7736431 3.346040       1.054314  2.405620       1.138752  3.210774       4.839878  
1 1 1 28 30 6  o 29.65988 1.803225  9.200903       1.027624  9.156234       1.700893  9.226581       1.289596  -0.4769840     3.606450  
1 1 1 28 30 7  o 9.412350 2.916925  0.1258978      1.029518  -0.2645560     1.723221  0.3426178      1.283824  0.2392778      5.833849  
1 1 1 28 30 8  o 26.41399 1.647083  7.406292       0.8573807 7.865559       1.145095  6.820309       1.293453  2.141283       3.294165  
1 1 1 28 30 9  o 8.797935 2.594566  0.4468568      0.7553713 0.3597358      1.015959  0.5545508      1.129562  -0.7043667     5.189133  
1 1 1 28 30 10 o 9.894013 2.714003  0.9789244      0.7549732 0.9851609      0.9649207 0.9690800      1.212319  -0.3330250     5.428007  
1 1 1 28 30 11 o 11.37417 3.193582  1.260576       1.072443  0.5563318      1.350080  2.464859       1.765476  -3.965141      6.387164  
1 1 1 28 30 12 o 11.43717 3.359226  1.573324       1.348192  0.2956626      1.963001  2.714083       1.854854  -3.447453      6.718452  
1 1 1 28 31 0  o 13.88294 4.151196  2.872712       1.127073  2.981167       1.967709  2.819756       1.374972  0.000000       0.000000  
1 1 1 28 31 1  o 32.82079 1.526135  10.97076       0.9674826 11.34514       1.599843  10.75492       1.214780  0.6725922      3.052270  
1 1 1 28 31 2  o 25.36775 1.630144  6.609139       0.8243189 6.392693       1.114182  6.870886       1.225242  -0.8698254     3.260289  
1 1 1 28 31 3  o 12.34216 2.791998  1.154978       0.8370075 0.1649029      1.034655  3.030005       1.423854  -7.893889      5.583996  
1 1 1 28 31 4  o 10.07242 2.807726  0.7481328      0.8284889 0.7467248      1.117872  0.7498487      1.234044  -0.2978363     5.615452  
1 1 1 28 31 5  o 9.186171 2.709002  -0.2926146     0.8764058 -1.324453      1.105176  1.455666       1.438571  -5.596498      5.418005  
1 1 1 28 31 6  o 23.79728 2.320487  6.762280       0.9463701 7.841602       1.173170  4.751391       1.601326  7.344652       4.640975  
1 1 1 28 31 7  o 18.56674 2.321206  3.790960       0.8369004 3.165153       1.116541  4.593354       1.264295  -3.902843      4.642412  
1 1 1 28 31 8  o 10.98889 2.529703  1.266781       0.7627797 2.275887       0.9959407 -0.1650187     1.186332  5.888268       5.059406  
1 1 1 28 31 9  o 23.14709 2.049653  5.970844       0.9300135 6.822200       1.272486  4.994624       1.362609  4.097851       4.099306  
1 1 1 28 31 10 o 28.37276 2.361589  9.782429       1.176717  7.660271       2.072917  10.79141       1.429335  -6.844311      4.723178  
1 1 1 28 31 11 o 12.48419 3.293917  2.037277       1.084602  2.026435       1.359721  2.056243       1.798375  -0.4116821E-01 6.587833  
1 1 1 28 31 12 o 8.113211 2.736681  -1.498074      1.266239  -3.218078      1.747164  0.4048671      1.837730  -3.036907      5.473362  
1 1 1 28 32 0  o 30.79501 2.426439  10.14548       1.453189  9.850883       2.151538  10.39262       1.970602  0.000000       0.000000  
1 1 1 28 32 1  f 8.498752 2.577124  -0.1082754E-01 0.7970389 -0.4437166     1.096614  0.4739363      1.160461  -1.884634      5.154249  
1 1 1 28 32 2  o 48.18592 1.242772  23.88397       1.167314  24.91438       1.511842  22.36286       1.836886  2.807259       2.485543  
1 1 1 28 32 3  o 22.59170 1.872428  5.358317       0.8425475 4.845573       1.195606  5.864148       1.187519  -2.261467      3.744856  
1 1 1 28 32 4  o 29.42499 1.693998  8.860008       0.9842855 11.06560       1.517537  7.258313       1.293201  6.250637       3.387996  
1 1 1 28 32 5  o 10.40381 2.750204  0.9524495      0.7875730 0.4387587      1.050468  1.611846       1.190159  -3.139594      5.500408  
1 1 1 28 32 6  o 11.91241 3.076009  1.570274       0.9543998 1.534407       1.335156  1.607750       1.364782  -0.2012978     6.152018  
1 1 1 28 32 7  o 12.89895 2.795793  2.117409       0.8813440 2.809404       1.057726  0.5457903      1.594025  5.360765       5.591586  
1 1 1 28 32 8  o 14.23186 2.741791  2.462029       0.7962513 2.540266       1.030689  2.346215       1.254013  0.9007540      5.483583  
1 1 1 28 32 9  o 7.226952 2.398327  -0.7680439     0.8329449 -0.8685962     1.029420  -0.5773867     1.417500  -1.600232      4.796653  
1 1 1 28 32 10 o 7.755991 2.537300  -0.7759046     0.9461469 0.2220033      1.401768  -1.610973      1.282306  2.473607       5.074600  
1 1 1 28 32 11 f 11.92497 3.350319  1.983451       1.239138  2.770195       1.719327  1.133111       1.787469  2.869344       6.700638  
1 1 1 28 33 0  o 12.67010 4.249533  2.522008       1.138917  2.930127       2.144033  2.361577       1.344261  0.000000       0.000000  
1 1 1 28 33 1  o 12.80604 2.996644  1.806686       0.8884980 1.428651       1.158339  2.347009       1.384830  -2.572357      5.993289  
1 1 1 28 33 2  o 14.81404 2.727152  2.476947       0.8246015 1.822510       1.091621  3.346641       1.258408  -4.435522      5.454303  
1 1 1 28 33 3  o 14.50086 3.021752  2.149723       0.9507806 3.984782       1.622519  1.190058       1.173342  7.257332       6.043504  
1 1 1 28 33 4  o 14.32243 2.965378  2.523342       0.9375119 3.082428       1.236505  1.767368       1.437840  3.711112       5.930756  
1 1 1 28 33 5  o 8.053694 2.450789  -0.2008109     0.7870920 0.7849969      1.064279  -1.390893      1.169359  3.114749       4.901579  
1 1 1 28 33 6  o 20.43269 2.064520  4.493641       0.8349506 4.219098       1.092757  4.878762       1.294246  -1.310949      4.129040  
1 1 1 28 33 7  o 15.28006 2.640610  2.789670       0.8003209 2.898356       1.103922  2.669255       1.161956  0.8159695      5.281220  
1 1 1 28 33 8  o 10.21479 3.159987  0.5731683      0.9525627 0.4541804      1.041395  1.182707       2.357029  -3.240094      6.319973  
1 1 1 28 33 9  o 23.52177 2.127706  6.676924       0.8766272 7.751585       1.106391  4.864363       1.436876  7.051746       4.255412  
1 1 1 28 33 10 f 9.386898 3.071721  -0.1987405     1.355346  0.6865526      2.044120  -0.8932840     1.810559  1.978038       6.143443  
1 1 1 28 34 0  o 10.75075 4.023566  1.868087       1.356784  0.4786710E-01  2.201295  2.983216       1.722974  0.000000       0.000000  
1 1 1 28 34 1  o 9.054346 2.652040  0.4721380      0.7855414 0.5939342      1.144776  0.3637544      1.079906  0.6497259      5.304080  
1 1 1 28 34 2  o 17.95240 2.566224  3.716132       0.9001237 3.339706       1.333446  4.031251       1.220035  -2.435781      5.132448  
1 1 1 28 34 3  o 8.884998 2.711972  0.2092333      0.8794832 0.6043485E-01  1.296816  0.3359554      1.196755  -0.1939535     5.423944  
1 1 1 28 34 4  o 13.37265 2.651085  2.102429       0.9314417 3.641347       1.203671  -0.1946245     1.470569  8.962251       5.302170  
1 1 1 28 34 5  o 8.848462 2.724686  0.1772005      0.9063895 -0.1439191E-01 1.349274  0.3347596      1.223581  -0.2376232     5.449373  
1 1 1 28 34 6  o 9.824471 2.702519  0.8633035      0.7922866 1.313010       1.067072  0.3107967      1.182763  2.064829       5.405038  
1 1 1 28 34 7  o 27.33443 2.038048  8.341506       1.011639  8.459949       1.213914  8.072245       1.830305  1.827829       4.076096  
1 1 1 28 34 8  o 10.40034 2.809133  0.9351708      0.7403639 0.5495515      0.8621641 2.018089       1.444802  -4.175230      5.618266  
1 1 1 28 34 9  o 15.19858 2.638623  3.534912       0.8784170 4.290704       0.9939724 0.8395447      1.877077  9.208694       5.277246  
1 1 1 28 34 10 o 8.330355 2.722955  -0.1503861     0.9083436 -0.3283480     1.042112  0.4123943      1.853192  -2.672128      5.445909  
1 1 1 28 35 0  o 11.12546 4.149590  2.152265       1.212901  1.639194       2.360778  2.336264       1.413758  0.000000       0.000000  
1 1 1 28 35 1  o 20.07466 2.338761  4.517745       0.8983628 4.324752       1.389395  4.656395       1.177653  -1.460924      4.677522  
1 1 1 28 35 2  o 12.80265 3.545932  1.739838       1.169763  1.683664       2.600676  1.754085       1.309730  0.9840937      7.091865  
1 1 1 28 35 3  o 9.069906 2.753531  0.3378216      0.8743395 0.2336780      1.447615  0.3976318      1.097045  0.6052904      5.507061  
1 1 1 28 35 4  o 9.993128 2.933951  0.6314970      0.9053760 0.3517871      1.092835  1.243590       1.616626  -2.710797      5.867903  
1 1 1 28 35 5  o 16.29659 2.664557  3.173878       0.8445418 3.090161       1.111427  3.288263       1.299148  -0.1889172     5.329115  
1 1 1 28 35 6  o 9.291477 2.833271  0.2888258      0.8891599 -0.7838945E-01 1.066086  1.128068       1.611668  -3.233017      5.666543  
1 1 1 28 35 7  o 16.77990 2.562042  3.235593       0.7559614 3.069911       0.8751587 3.722583       1.500410  -0.8370209E-01 5.124085  
1 1 1 28 35 8  o 17.85400 2.491590  3.934858       0.8327953 4.334891       1.052410  3.264738       1.362114  3.991833       4.983181  
1 1 1 28 35 9  o 10.71307 2.869956  1.402589       0.9234043 2.163406       1.216575  0.3685592      1.418292  3.613257       5.739912  
1 1 1 28 36 0  o 10.06620 4.081174  1.474874       1.139879  2.654592       2.247048  1.066107       1.322699  0.000000       0.000000  
1 1 1 28 36 1  o 16.45101 2.694013  3.212954       0.8656084 3.030948       1.159416  3.442164       1.301110  -0.9198494     5.388026  
1 1 1 28 36 2  o 15.89697 3.013749  3.246367       0.9676974 2.693120       1.681572  3.520304       1.183262  -2.979442      6.027498  
1 1 1 28 36 3  o 13.66963 2.923189  1.957499       0.9995090 0.3850995      1.317747  4.087649       1.533754  -8.867389      5.846378  
1 1 1 28 36 4  o 12.08841 3.041695  1.794027       0.9282196 1.633390       1.353261  1.936752       1.275582  -0.7439537     6.083390  
1 1 1 28 36 5  o 10.00839 2.811793  0.8750048      0.9311373 1.601948       1.113289  -0.8174718     1.698710  3.039366       5.623587  
1 1 1 28 36 6  o 11.11711 2.829612  1.446955       0.7436795 1.446293       0.8583013 1.448951       1.489578  -0.2604494     5.659225  
1 1 1 28 36 7  o 12.06409 2.779751  1.885306       0.7778432 2.132231       0.9193250 1.263112       1.459313  2.435317       5.559502  
1 1 1 28 36 8  o 9.203569 2.644049  0.7840701      0.8298420 1.380256       1.007602  -0.4728988     1.463054  2.535461       5.288098  
1 1 1 28 37 0  o 10.93993 3.987418  1.352409       1.074630  4.000409       2.123961  0.4413112      1.245862  0.000000       0.000000  
1 1 1 28 37 1  o 8.102631 2.514581  -0.1406968     0.8264710 -0.9840754     1.170701  0.6972458      1.166922  -2.592666      5.029162  
1 1 1 28 37 2  o 9.263071 2.721000  0.5548261      0.8697659 1.105277       1.131785  -0.2391787     1.359303  1.943824       5.442001  
1 1 1 28 37 3  o 10.27896 2.903096  1.012533       0.9167074 0.6029144      1.338645  1.374258       1.257954  -1.471860      5.806192  
1 1 1 28 37 4  o 12.41143 3.260370  1.608644       0.9471583 1.171057       1.082011  3.043252       1.959142  -4.219299      6.520739  
1 1 1 28 37 5  o 21.21936 2.092778  4.849087       0.7789851 4.622832       0.9012873 5.517190       1.548765  -0.7900047     4.185556  
1 1 1 28 37 6  o 9.238342 2.916148  0.2215811      1.101675  0.2868461      1.569822  0.1582450      1.546448  0.2213383      5.832295  
1 1 1 28 37 7  o 25.77522 1.912980  7.794168       0.8727999 8.224771       1.046112  6.807833       1.583256  4.015226       3.825961  
1 1 1 28 38 0  o 12.08704 3.924195  2.693506       1.189267  1.370014       2.184385  3.251085       1.417820  0.000000       0.000000  
1 1 1 28 38 1  o 24.57944 1.772719  6.567047       0.8661773 5.717946       1.209270  7.461691       1.241276  -3.492140      3.545439  
1 1 1 28 38 2  o 16.68309 2.661952  3.454806       0.8647646 3.174966       1.295717  3.679569       1.161230  -1.827258      5.323905  
1 1 1 28 38 3  o 10.32784 2.878755  1.120205       0.8654564 1.118888       1.112179  1.122227       1.377977  -0.3288860     5.757510  
1 1 1 28 38 4  o 11.89733 3.221416  1.317662       0.8445149 0.9990817      0.9245859 2.921667       2.074630  -4.513553      6.442832  
1 1 1 28 38 5  o 11.92317 3.070617  1.373852       0.8290699 0.8105832      0.9385214 3.375072       1.769024  -5.886357      6.141234  
1 1 1 28 38 6  o 9.690903 2.833186  0.9395511      0.8549472 0.8153743      1.046524  1.188715       1.482422  -1.247383      5.666372  
1 1 1 28 39 0  o 24.17534 3.809289  7.239741       1.284417  7.967255       2.822515  7.049743       1.442420  0.000000       0.000000  
1 1 1 28 39 1  o 26.09542 1.848426  7.302999       0.9531546 8.643122       1.494931  6.385037       1.237261  3.848490       3.696852  
1 1 1 28 39 2  o 20.52435 2.222314  4.780542       0.9033036 4.437786       1.183251  5.259332       1.398483  -1.492727      4.444628  
1 1 1 28 39 3  o 12.07600 2.816962  1.716393       1.029130  -0.7146961     1.593057  3.457615       1.348211  -8.004145      5.633924  
1 1 1 28 39 4  o 6.543706 2.262069  -1.310821      0.8530641 -1.104639      0.9869377 -1.919938      1.696348  -1.389814      4.524139  
1 1 1 28 39 5  o 10.06084 2.699190  1.223554       0.8123226 1.704933       0.9564495 -0.2247292E-01 1.538800  2.854376       5.398379  
1 1 1 28 40 0  o 14.14687 4.320710  3.139282       1.088241  4.562779       2.408386  2.774078       1.219876  0.000000       0.000000  
1 1 1 28 40 1  o 7.924432 2.539234  -0.4269956E-01 0.8725030 0.1465819      1.160707  -0.2886001     1.322965  0.2095399      5.078468  
1 1 1 28 40 2  f 10.11267 2.841935  1.154286       0.9012527 1.683759       1.189099  0.4395306      1.381575  2.313152       5.683870  
1 1 1 29 0  1  o 57.31428 1.301193  32.88789       1.485552  30.73117       2.033852  35.35439       2.175021  0.000000       0.000000  
1 1 1 29 0  2  o 11.96868 4.322208  2.105224       1.232692  2.124760       1.464779  2.057806       2.282037  0.000000       0.000000  
1 1 1 29 0  3  o 40.20206 2.069508  16.49297       1.573578  16.48139       2.638208  16.49936       1.960490  0.000000       0.000000  
1 1 1 29 0  4  o 87.24924 1.393358  76.37969       2.425720  81.69130       3.476354  71.33945       3.386388  0.000000       0.000000  
1 1 1 29 0  5  o 42.57071 2.000477  18.72983       1.592982  17.61504       2.695077  19.32843       1.974886  0.000000       0.000000  
1 1 1 29 0  6  o 6.834823 3.181060  -0.1097372     1.022257  -0.1692941     1.283481  -0.6406722E-02 1.690589  0.000000       0.000000  
1 1 1 29 0  7  o 75.21127 1.520674  58.65764       2.106689  61.79363       2.570759  52.24581       3.675914  0.000000       0.000000  
1 1 1 29 0  8  o 31.94433 2.564502  10.59779       1.573139  10.34883       2.586351  10.74397       1.981911  0.000000       0.000000  
1 1 1 29 0  9  o 10.06524 4.133087  1.245929       1.436090  0.2391081E-01  2.252157  2.083256       1.864263  0.000000       0.000000  
1 1 1 29 0  10 o 15.52424 4.594547  3.581672       1.429987  3.330639       2.225051  3.758317       1.866488  0.000000       0.000000  
1 1 1 29 0  11 o 22.86053 3.837775  6.436410       1.497332  4.908934       2.283138  7.589200       1.983443  0.000000       0.000000  
1 1 1 29 0  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 0  14 o 11.37420 4.437350  2.051752       1.569753  0.5457801      2.714883  2.808081       1.923969  0.000000       0.000000  
1 1 1 29 0  15 o 8.753377 4.079688  0.4108258      1.736752  -0.1984586     2.924199  0.7428780      2.158739  0.000000       0.000000  
1 1 1 29 0  16 o 10.82992 6.611677  2.063083       2.652849  2.063083       2.652849  2.063083       2.652849  0.000000       0.000000  
1 1 1 29 0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 0  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 1  0  o 23.62794 3.012788  6.566106       1.146952  4.860090       1.863779  7.605997       1.455113  0.000000       0.000000  
1 1 1 29 1  1  o 32.19288 1.308339  10.18127       0.8332285 8.533615       1.095399  12.44363       1.283572  -6.056625      2.616678  
1 1 1 29 1  2  o 12.14213 2.895356  0.9756830      0.8083487 0.3787386      0.9565203 2.467288       1.512008  -6.591767      5.790713  
1 1 1 29 1  3  o 14.37190 2.966087  2.052642       0.9567193 3.104117       1.380938  1.082137       1.326702  5.510490       5.932175  
1 1 1 29 1  4  o 42.33751 1.226501  18.01747       1.036664  18.48099       1.435272  17.51192       1.498928  1.151466       2.453003  
1 1 1 29 1  5  f 48.47758 0.9588693 23.55639       0.9295813 23.95045       1.325345  23.17484       1.304164  0.7979622      1.917739  
1 1 1 29 1  6  o 26.74694 1.255112  7.436847       0.6061835 6.592511       1.098160  7.806864       0.7269742 -2.317217      2.510224  
1 1 1 29 1  7  o 17.29671 1.834710  2.820472       0.5994795 3.662080       1.084544  2.450208       0.7193621 3.424334       3.669420  
1 1 1 29 1  8  o 47.34610 1.401354  22.57594       1.326601  23.33871       1.894830  21.84261       1.857908  1.572983       2.802709  
1 1 1 29 1  9  o 17.59994 2.898590  3.296378       1.064488  4.811047       1.525890  1.860369       1.485740  7.975116       5.797180  
1 1 1 29 1  10 o 12.15132 2.835178  0.8182168      1.027659  2.972630       1.441276  -1.409803      1.465691  8.650017       5.670356  
1 1 1 29 1  11 o 13.00068 3.183194  1.619961       1.029284  1.055119       1.427693  2.231277       1.485267  -2.912460      6.366388  
1 1 1 29 1  12 o 14.07780 5.717462  1.395795       2.524032  1.395795       2.524032  ?              ?         ?              ?         
1 1 1 29 1  13 o 7.755487 3.783534  -3.093711      1.917735  -3.093711      1.917735  ?              ?         ?              ?         
1 1 1 29 1  14 o 11.67736 3.076313  0.9943966      1.073575  2.236326       1.470461  -0.4232659     1.571056  4.973857       6.152626  
1 1 1 29 1  15 o 12.37141 3.325291  1.508228       1.211295  2.535581       1.671657  0.3724799      1.757634  3.946689       6.650582  
1 1 1 29 1  16 o 12.02706 3.797379  0.8238867E-01  1.955784  -2.143168      2.680751  2.615000       2.859706  -4.645862      7.594758  
1 1 1 29 1  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 1  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 2  0  o 20.86641 2.903972  4.837241       1.066882  4.754225       1.623905  4.900284       1.415145  0.000000       0.000000  
1 1 1 29 2  1  o 51.30340 0.9393797 26.35960       0.9637874 25.92996       1.353764  26.80117       1.372430  -0.8479156     1.878759  
1 1 1 29 2  2  o 33.51172 1.504141  10.46597       0.9108220 9.507615       1.058169  13.20635       1.789353  -5.443001      3.008283  
1 1 1 29 2  3  o 37.60497 1.333435  13.72299       0.9740613 12.35668       1.216358  16.16557       1.626336  -5.021717      2.666871  
1 1 1 29 2  4  o 28.76986 1.504505  8.521176       0.8419652 7.289581       1.293075  9.427676       1.109363  -3.740490      3.009010  
1 1 1 29 2  5  o 29.94149 1.312546  9.021867       0.7830074 8.841040       1.152309  9.176984       1.067255  -0.5720615     2.625093  
1 1 1 29 2  6  f 31.77565 1.233916  10.10313       0.7826377 10.88361       1.149161  9.427954       1.068834  2.280075       2.467833  
1 1 1 29 2  7  o 36.77579 0.9575523 12.68982       0.6465551 15.79380       1.231864  11.50962       0.7595904 5.771172       1.915105  
1 1 1 29 2  8  o 12.15735 2.550981  1.093218       0.4537951 0.9584916      0.4786863 2.288542       1.425830  -5.202983      5.101962  
1 1 1 29 2  9  o 40.74899 1.498753  16.66189       1.213706  15.66343       1.610872  17.97297       1.845914  -2.769344      2.997506  
1 1 1 29 2  10 o 21.54833 2.662863  5.195484       1.070454  6.679355       1.445759  3.394952       1.592569  7.974363       5.325727  
1 1 1 29 2  11 o 17.83954 2.955614  3.542330       1.046018  4.264032       1.435057  2.724236       1.527890  4.144917       5.911228  
1 1 1 29 2  12 o 9.879727 4.643932  -2.072819      2.373839  -2.072819      2.373839  ?              ?         ?              ?         
1 1 1 29 2  13 o 10.42747 4.641460  -0.2978522     1.961170  -0.2978522     1.961170  ?              ?         ?              ?         
1 1 1 29 2  14 o 11.06366 3.198119  0.6324927      1.170121  1.374077       1.565101  -0.3073463     1.761931  2.348011       6.396237  
1 1 1 29 2  15 o 11.13141 3.261205  0.8330386      1.203354  0.1796973      1.643098  1.588868       1.767279  -2.523221      6.522409  
1 1 1 29 2  16 f 11.46919 3.649802  0.9179365E-01  1.824434  -1.589704      2.618864  1.677385       2.543082  -3.009625      7.299605  
1 1 1 29 2  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 2  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 3  0  o 12.40569 3.632516  1.917603       1.024538  3.577261       1.601781  0.7684723      1.332842  0.000000       0.000000  
1 1 1 29 3  1  o 15.82510 2.402378  2.617939       0.7392171 3.132920       1.073052  2.152801       1.019801  3.037251       4.804755  
1 1 1 29 3  2  o 17.27250 2.761098  3.281992       0.8349001 3.497856       0.9575464 2.597531       1.705078  2.738030       5.522196  
1 1 1 29 3  3  o 28.33960 1.567023  7.571398       0.8535225 6.364720       1.044811  9.992199       1.479863  -6.345123      3.134046  
1 1 1 29 3  4  o 49.18551 0.9603113 24.25991       0.9442657 24.70717       1.324477  23.79759       1.346584  0.9266014      1.920623  
1 1 1 29 3  5  o 55.96500 0.8600225 31.10949       0.9179291 32.29862       1.566635  30.48783       1.132734  1.580730       1.720045  
1 1 1 29 3  6  o 23.50313 1.544079  5.652566       0.7127855 4.553290       1.027473  6.672408       0.9896528 -4.514212      3.088158  
1 1 1 29 3  7  o 29.24481 1.097158  8.166268       0.6156096 10.08587       1.067931  7.210943       0.7533785 4.873482       2.194317  
1 1 1 29 3  8  o 38.75075 1.337467  14.58936       0.9455351 13.87590       1.114257  16.42477       1.787169  -3.164886      2.674934  
1 1 1 29 3  9  o 20.29803 2.622237  4.307755       1.011466  3.926311       1.307983  4.875166       1.595276  -2.141829      5.244474  
1 1 1 29 3  10 o 10.93674 3.020452  0.8157724      0.9756187 1.238106       1.264497  0.1945728      1.533576  1.457539       6.040903  
1 1 1 29 3  11 o 30.64249 1.799655  9.452909       1.092639  8.631553       1.431009  10.60123       1.692032  -3.104168      3.599309  
1 1 1 29 3  12 o 21.62813 5.476178  5.432281       2.372298  5.432281       2.372298  ?              ?         ?              ?         
1 1 1 29 3  13 o 10.26506 4.665642  -0.7325637     2.092227  -0.7325637     2.092227  ?              ?         ?              ?         
1 1 1 29 3  14 o 25.90368 2.393729  7.120438       1.238147  6.602453       1.729221  7.665368       1.773630  -2.011169      4.787457  
1 1 1 29 3  15 o 12.71488 3.376736  1.764833       1.191743  2.389576       1.682641  1.136007       1.688131  2.518775       6.753472  
1 1 1 29 3  16 o 12.79894 3.925359  1.465587       1.863925  1.167623       2.785643  1.707140       2.508122  -0.3625956     7.850718  
1 1 1 29 3  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 3  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 4  0  o 9.314318 3.642406  1.055549       1.012251  1.892737       1.542364  0.4221079      1.341616  0.000000       0.000000  
1 1 1 29 4  1  o 15.70285 2.239498  2.683891       0.7055823 4.242949       0.9900770 1.074932       1.005797  9.676181       4.478997  
1 1 1 29 4  2  o 13.42733 2.767762  1.833193       0.8246242 2.554887       1.158909  1.093061       1.173620  4.271052       5.535525  
1 1 1 29 4  3  f 16.65158 3.005581  3.055145       1.034295  1.899821       1.606147  3.873671       1.351915  -5.151479      6.011161  
1 1 1 29 4  4  o 28.13416 1.204017  8.237103       0.6427660 6.913831       1.042874  9.047713       0.8162320 -3.817127      2.408035  
1 1 1 29 4  5  f 20.12571 1.559940  4.256662       0.5779850 3.594648       0.9970801 4.591696       0.7093182 -2.520796      3.119880  
1 1 1 29 4  6  f 31.86235 1.195535  10.18805       0.7594421 11.32915       1.092532  9.121175       1.056406  3.460316       2.391070  
1 1 1 29 4  7  o 8.742188 2.354516  0.4717173      0.5533938 0.8610775      0.9388562 0.2644187      0.6850488 2.578805       4.709031  
1 1 1 29 4  8  o 23.14302 2.177635  5.495182       0.9995441 4.746395       1.425047  6.220323       1.402364  -3.191456      4.355270  
1 1 1 29 4  9  o 26.04525 3.164479  0.000000       0.000000  ?              ?         6.959508       1.648393  ?              ?         
1 1 1 29 4  10 o 18.84480 2.816799  3.859354       1.011163  3.929354       1.302902  3.753338       1.603420  0.6954136      5.633599  
1 1 1 29 4  11 f 10.39257 2.967438  0.3636360      0.9850250 -0.3687192     1.314933  1.300128       1.486944  -3.614190      5.934877  
1 1 1 29 4  12 o 11.18180 3.305046  -0.3782804     1.267019  1.958967       2.151375  -1.619424      1.567743  6.536229       6.610091  
1 1 1 29 4  13 o 16.04033 5.251107  2.959215       1.940072  2.959215       1.940072  ?              ?         ?              ?         
1 1 1 29 4  14 o 12.55106 3.152126  0.9989156      1.149728  -0.7082207     1.547316  3.103359       1.717962  -7.599038      6.304252  
1 1 1 29 4  15 o 12.52717 3.229908  1.681044       1.164060  2.733533       1.516093  0.1694832      1.816895  4.625766       6.459815  
1 1 1 29 4  16 o 11.63622 3.730555  0.3178245      1.889787  -0.1523201     2.672388  0.7880923      2.672738  -0.8973932     7.461110  
1 1 1 29 4  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 4  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 5  0  o 8.884935 3.741764  0.8823950      1.169306  1.284001       1.509414  0.2796802      1.849116  0.000000       0.000000  
1 1 1 29 5  1  o 18.90224 1.982047  3.682684       0.7101661 2.663237       0.9827764 4.796721       1.027359  -5.877336      3.964093  
1 1 1 29 5  2  o 24.21315 2.267478  6.486048       0.9801233 8.197588       1.290085  4.149496       1.507344  8.678854       4.534956  
1 1 1 29 5  3  o 75.88707 1.096732  58.44540       1.596827  55.24766       2.625155  60.32348       2.011819  -3.401939      2.193464  
1 1 1 29 5  4  o 25.44146 1.505845  6.096426       0.7105674 7.634008       1.329279  5.481301       0.8407727 4.160465       3.011690  
1 1 1 29 5  5  o 28.65848 1.117039  8.318220       0.6054853 8.007289       1.031578  8.481640       0.7478612 -0.8596401     2.234079  
1 1 1 29 5  6  o 13.33962 2.447834  1.881016       0.6588658 1.819758       0.9578494 1.936031       0.9077240 -0.3899336     4.895669  
1 1 1 29 5  7  o 28.04109 1.099919  7.720723       0.5987788 8.614776       0.9938425 7.211255       0.7502297 2.468658       2.199839  
1 1 1 29 5  8  o 18.37783 2.194729  3.713957       0.7302971 4.197519       0.9157624 2.869177       1.210398  3.999088       4.389458  
1 1 1 29 5  9  o 34.73250 1.677146  12.16165       1.154383  11.68150       1.520283  12.81544       1.774018  -1.553474      3.354291  
1 1 1 29 5  10 o 13.14157 3.166570  1.495639       1.008809  0.7765736      1.283681  2.656953       1.631351  -5.043553      6.333140  
1 1 1 29 5  11 o 19.61284 2.742443  3.968600       1.047210  3.065636       1.357120  5.297548       1.646407  -5.788361      5.484886  
1 1 1 29 5  12 o 30.59966 2.123694  9.692149       1.175148  9.679619       1.393761  9.722960       2.185588  0.3944225      4.247389  
1 1 1 29 5  13 o 15.11746 3.627584  2.495468       1.206233  2.529929       1.387584  2.388876       2.440396  -0.2914181     7.255169  
1 1 1 29 5  14 o 9.457567 2.991553  -0.3056110     1.119329  -0.2481063     1.390260  -0.4115751     1.887224  -1.201011      5.983106  
1 1 1 29 5  15 o 10.00010 3.066946  0.2746129      1.119853  -0.9406647E-01 1.448211  0.8229108      1.766102  -2.076222      6.133893  
1 1 1 29 5  16 o 11.93239 3.750842  0.6320831      1.815356  -0.3955028     2.474630  1.829430       2.671230  -2.582868      7.501684  
1 1 1 29 5  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 6  0  o 80.64111 1.328983  65.25774       2.133917  65.21455       3.145837  65.29456       2.904248  0.000000       0.000000  
1 1 1 29 6  1  o 31.50484 1.220210  9.927948       0.7676233 9.441873       1.050069  10.48584       1.124964  -1.649958      2.440419  
1 1 1 29 6  2  o 41.07780 1.578494  17.38654       1.212829  15.74943       2.075704  18.23519       1.494480  -3.098606      3.156987  
1 1 1 29 6  3  o 28.29147 2.041780  7.068424       1.055400  4.095264       1.278883  13.41670       1.868742  -16.36891      4.083560  
1 1 1 29 6  4  o 34.34750 1.043153  11.70945       0.7048187 12.49509       1.116463  11.18889       0.9088078 1.880394       2.086306  
1 1 1 29 6  5  o 19.49871 1.517396  3.452308       0.5619524 5.352116       0.9934733 2.558472       0.6814439 7.114232       3.034792  
1 1 1 29 6  6  o 12.15081 2.455321  1.479081       0.6418357 2.087805       0.9614152 0.9896547      0.8620743 3.790808       4.910642  
1 1 1 29 6  7  o 25.02849 1.191845  6.399215       0.5786068 5.839609       0.9163041 6.770328       0.7461939 -1.885080      2.383691  
1 1 1 29 6  8  o 18.97606 2.351433  4.133287       0.8130648 5.440604       1.068640  2.336232       1.252915  8.414268       4.702865  
1 1 1 29 6  9  o 25.59136 1.735685  4.798873       0.7132794 3.762815       0.7765604 10.38989       1.803967  -12.59757      3.471370  
1 1 1 29 6  10 o 27.30413 1.959788  7.359900       1.033819  6.667982       1.281064  8.651971       1.750600  -3.438971      3.919577  
1 1 1 29 6  11 o 11.69956 3.147907  0.3385558      1.075925  -0.7921165     1.324901  2.528252       1.843771  -7.358974      6.295815  
1 1 1 29 6  12 f 29.39850 2.149045  8.815017       1.218680  8.422079       1.519620  9.523200       2.040069  -1.557369      4.298090  
1 1 1 29 6  13 o 12.52312 3.435790  1.341571       1.258303  1.931181       1.533268  0.1253634      2.202114  1.931419       6.871581  
1 1 1 29 6  14 o 15.65077 3.074971  2.854274       1.155321  4.527112       1.541498  0.7102899      1.745126  8.802075       6.149943  
1 1 1 29 6  15 o 25.77152 2.344517  7.172496       1.194384  6.097059       1.558557  8.702772       1.859152  -4.577349      4.689034  
1 1 1 29 6  16 o 10.38129 3.421064  -0.7047033     1.748861  0.1970092E-01  2.525778  -1.371844      2.423893  1.357376       6.842128  
1 1 1 29 6  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 7  0  o 8.148475 3.446016  0.6820616      0.9746218 1.119199       1.493505  0.3578314      1.286247  0.000000       0.000000  
1 1 1 29 7  1  o 16.92217 2.258456  2.960002       0.6984816 2.930634       1.232311  2.973903       0.8478251 -0.5259132     4.516912  
1 1 1 29 7  2  f 13.35678 2.892601  1.811109       0.8515781 2.150985       1.225196  1.493457       1.184463  1.952680       5.785201  
1 1 1 29 7  3  o 18.57738 1.975694  3.564426       0.7072063 2.950778       1.002871  4.171437       0.9974328 -3.531839      3.951387  
1 1 1 29 7  4  o 38.62273 1.001131  15.03906       0.7651628 14.36067       1.154861  15.56989       1.021565  -1.578659      2.002263  
1 1 1 29 7  5  o 20.56660 1.433863  4.198050       0.5692220 4.472841       0.9502897 4.044284       0.7108610 1.005926       2.867726  
1 1 1 29 7  6  o 15.75444 1.810870  2.498440       0.5343814 2.716344       0.9053092 2.381917       0.6620167 0.7542152      3.621740  
1 1 1 29 7  7  o 40.43974 1.095678  16.38292       0.8250861 16.54450       1.466918  16.30814       0.9978995 0.2264328      2.191357  
1 1 1 29 7  8  o 24.99702 1.539733  6.345853       0.7648657 7.179260       1.083597  5.518306       1.079780  3.321274       3.079466  
1 1 1 29 7  9  o 52.48006 1.042038  28.03097       1.069575  29.42789       1.395771  26.04379       1.664741  3.279812       2.084077  
1 1 1 29 7  10 o 12.23611 2.868270  0.6109487      0.9132520 -0.6012006     1.108017  3.178990       1.612759  -9.522701      5.736540  
1 1 1 29 7  11 o 8.588956 2.775822  -0.7228488     0.9886668 -0.7354135     1.192364  -0.6952044     1.768624  -1.999790      5.551644  
1 1 1 29 7  12 o 21.50904 2.830709  4.759173       1.171764  3.556963       1.495428  6.671285       1.885957  -7.232294      5.661418  
1 1 1 29 7  13 o 10.61348 3.187674  0.3120589      1.198190  0.8774431      1.533124  -0.5752274     1.920602  1.192724       6.375348  
1 1 1 29 7  14 o 22.10108 2.798827  5.327402       1.198122  4.621367       1.547489  6.383994       1.893076  -3.849632      5.597654  
1 1 1 29 7  15 o 13.59022 3.468450  2.060089       1.179265  1.528594       1.479629  2.985580       1.952492  -3.282083      6.936900  
1 1 1 29 7  16 o 13.28802 3.999286  1.988995       1.862645  1.415381       2.539191  2.657259       2.740690  -1.661199      7.998572  
1 1 1 29 7  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 8  0  o 9.439627 3.196213  1.371556       0.7346610 0.4695063      1.526881  1.643296       0.8380442 0.000000       0.000000  
1 1 1 29 8  1  o 71.85524 0.9274098 51.90654       1.323346  50.24717       1.975477  53.25735       1.782374  -2.110222      1.854820  
1 1 1 29 8  2  o 44.45082 1.123367  19.96946       0.9695176 19.19590       1.555890  20.46048       1.239601  -1.454693      2.246733  
1 1 1 29 8  3  o 67.97806 1.060349  46.93995       1.417104  42.61376       2.153449  50.24435       1.882037  -5.639999      2.120697  
1 1 1 29 8  4  o 37.12807 1.009503  13.80034       0.7449182 14.04654       1.122351  13.60649       0.9958959 0.5795555      2.019007  
1 1 1 29 8  5  o 29.18512 1.255405  8.039274       0.6525626 9.710725       1.302871  7.479548       0.7539497 3.750299       2.510809  
1 1 1 29 8  6  o 15.15713 1.931039  2.380240       0.5512212 2.320990       0.9034048 2.415381       0.6957417 -0.6387215     3.862078  
1 1 1 29 8  7  o 41.19432 1.068556  16.70200       0.8247396 18.00895       1.471588  16.10351       0.9958295 2.246048       2.137111  
1 1 1 29 8  8  o 30.41025 1.374639  9.353982       0.8339639 9.602772       1.149130  9.077131       1.212203  0.8800793      2.749277  
1 1 1 29 8  9  o 39.54776 1.130768  15.70498       0.8641524 15.54929       1.087414  15.97181       1.423595  -0.4545135     2.261535  
1 1 1 29 8  10 o 12.73137 2.804883  1.284103       0.5562192 1.143246       0.5898606 2.414368       1.670900  -4.685460      5.609766  
1 1 1 29 8  11 o 9.134258 2.837499  -0.1656115     0.9845415 0.1550398      1.230222  -0.7368309     1.641982  -0.1032829E-02 5.674998  
1 1 1 29 8  12 o 27.07504 2.343247  7.806037       1.172036  8.065060       1.426411  7.267729       2.056323  1.895281       4.686493  
1 1 1 29 8  13 o 12.10485 3.171962  0.6920043      1.010270  -0.2017211     1.197222  2.902299       1.882772  -7.577467      6.343924  
1 1 1 29 8  14 o 11.69474 3.081449  0.8340314      1.061919  -0.4770099     1.385492  2.700925       1.653315  -6.611624      6.162898  
1 1 1 29 8  15 o 15.42276 3.768651  1.798173       1.385451  0.3071999      1.602665  6.207445       2.756077  -10.94629      7.537303  
1 1 1 29 8  16 o 11.70052 5.224940  0.000000       0.000000  ?              ?         0.8678159      2.503229  ?              ?         
1 1 1 29 8  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 9  0  o 39.73169 1.404172  16.41033       0.9659457 14.98604       1.863573  16.93357       1.129522  0.000000       0.000000  
1 1 1 29 9  1  o 34.57305 0.9390093 11.97059       0.6487945 11.74174       0.8969932 12.22166       0.9395537 -0.6903725     1.878019  
1 1 1 29 9  2  o 26.52820 1.374645  7.230452       0.7030103 7.754680       0.9026483 6.422197       1.120810  2.539459       2.749289  
1 1 1 29 9  3  o 57.41384 0.9855607 32.34772       1.055010  34.99163       1.901796  31.17240       1.268009  3.264523       1.971121  
1 1 1 29 9  4  o 51.54016 0.9135725 26.67463       0.9381784 26.06576       1.379185  27.19903       1.279936  -1.108868      1.827145  
1 1 1 29 9  5  o 25.31851 1.258517  6.513340       0.6136630 6.162093       1.000065  6.725470       0.7771826 -1.142082      2.517034  
1 1 1 29 9  6  o 46.20091 0.8520895 21.25942       0.7623460 21.95646       1.254309  20.85110       0.9600075 1.165089       1.704179  
1 1 1 29 9  7  o 22.65066 1.542883  5.442779       0.5991719 4.655911       1.163936  5.726479       0.6988879 -2.457775      3.085766  
1 1 1 29 9  8  o 13.57273 2.476248  2.058860       0.7076729 2.699631       0.9237742 1.148659       1.100990  4.855654       4.952495  
1 1 1 29 9  9  o 23.61329 1.481061  5.716152       0.6859218 6.040814       0.9025543 5.272258       1.055348  1.675760       2.962123  
1 1 1 29 9  10 o 8.469752 2.352874  0.4635909      0.5639733 0.4894536      0.6978085 0.4148790      0.9576737 -0.6917400     4.705749  
1 1 1 29 9  11 o 9.945364 2.986254  0.2744381      0.9747401 0.3665466      1.170371  0.6589733E-01  1.761039  -1.195827      5.972507  
1 1 1 29 9  12 o 11.32244 3.189406  0.6542409      1.018620  0.1949566      1.217452  1.726096       1.859854  -4.402796      6.378812  
1 1 1 29 9  13 o 15.60283 3.221287  1.604583       1.069360  0.3544745      1.223909  5.638018       2.198431  -12.46503      6.442575  
1 1 1 29 9  14 o 21.83315 3.300873  6.135602       1.442412  3.487903       2.196117  8.144324       1.912851  -10.72143      6.601745  
1 1 1 29 9  15 o 22.32032 3.390673  7.396003       1.389099  8.666293       1.609495  3.687076       2.750188  12.08332       6.781345  
1 1 1 29 9  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 9  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 10 0  o 38.75501 1.380921  14.48631       0.9163359 16.52966       1.902747  13.86930       1.045569  0.000000       0.000000  
1 1 1 29 10 1  f 28.25605 1.058042  8.008131       0.5978954 8.113993       0.8477506 7.903361       0.8433701 0.3722725      2.116085  
1 1 1 29 10 2  o 6.958115 2.148829  -0.1575164     0.5647247 -0.2804888     0.8522789 -0.6126873E-01 0.7540030 0.1307154E-01  4.297657  
1 1 1 29 10 3  o 35.20956 1.145420  12.45252       0.7524793 12.42177       1.328876  12.46703       0.9129462 -0.1124077     2.290840  
1 1 1 29 10 4  o 34.54697 1.062526  12.03376       0.7303361 10.84108       1.046789  13.16498       1.019456  -3.366444      2.125052  
1 1 1 29 10 5  o 33.54590 1.029176  11.42929       0.6679250 10.71803       1.073994  11.87788       0.8529345 -1.753723      2.058351  
1 1 1 29 10 6  o 23.29453 1.609442  5.939026       0.6716914 4.319245       1.154914  6.766976       0.8257023 -5.317837      3.218883  
1 1 1 29 10 7  o 25.70857 1.140732  6.774664       0.5721985 5.961382       0.8803614 7.369530       0.7529229 -2.761053      2.281464  
1 1 1 29 10 8  o 29.44650 1.376461  8.571798       0.7958546 7.854150       1.016445  9.708801       1.279408  -3.082569      2.752922  
1 1 1 29 10 9  o 22.77032 1.714760  5.539316       0.7316974 6.232574       0.9271349 4.394465       1.191432  4.129009       3.429520  
1 1 1 29 10 10 o 9.777481 2.381818  0.9021253      0.5838826 1.227337       0.7718328 0.4670079      0.8927771 2.110487       4.763636  
1 1 1 29 10 11 o 22.70985 2.363240  4.642711       0.9805833 7.473656       1.932929  3.661666       1.137875  7.844839       4.726480  
1 1 1 29 10 12 o 12.92833 3.327069  1.551638       0.9774924 1.446294       1.108428  1.920175       2.073210  -2.286326      6.654139  
1 1 1 29 10 13 f 21.06353 2.784621  4.226154       1.086570  2.924929       1.292938  7.354687       2.004803  -9.969128      5.569241  
1 1 1 29 10 14 o 13.74650 3.652136  2.148143       1.336087  2.097767       2.216369  2.176900       1.674564  0.1906176      7.304272  
1 1 1 29 10 15 o 13.29285 3.956156  1.772523       1.809094  2.312222       2.464288  1.141663       2.664292  1.329750       7.912313  
1 1 1 29 10 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 10 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 11 0  o 13.62252 3.605361  2.487585       0.8707825 2.557288       1.608481  2.458687       1.035678  0.000000       0.000000  
1 1 1 29 11 1  o 9.959956 2.230393  0.9171169      0.5357446 1.501769       0.7600971 0.3399116      0.7552408 3.988290       4.460786  
1 1 1 29 11 2  o 8.520346 2.258909  0.5496404      0.5218073 0.6196699      0.7355914 0.4787066      0.7403252 0.4285574      4.517818  
1 1 1 29 11 3  o 8.126600 2.276108  0.3383620      0.5501472 0.5565847      0.8270927 0.1651996      0.7367687 1.415544       4.552216  
1 1 1 29 11 4  o 19.77671 1.507659  3.906713       0.5863600 3.774239       0.7571036 4.105272       0.9269034 -0.8097382     3.015318  
1 1 1 29 11 5  o 42.01807 0.9912875 17.78404       0.8296095 16.24787       1.188648  19.24308       1.158426  -3.567780      1.982575  
1 1 1 29 11 6  o 41.15099 0.9316952 17.10446       0.7613772 15.62121       1.112134  18.41290       1.044542  -3.400249      1.863390  
1 1 1 29 11 7  o 20.21559 1.395446  4.159375       0.5563844 3.904139       0.8453217 4.354464       0.7390378 -1.139811      2.790892  
1 1 1 29 11 8  o 27.58088 1.469578  7.673728       0.7858405 7.601519       0.9940432 7.794061       1.283218  -0.2669830     2.939156  
1 1 1 29 11 9  o 8.606557 2.477192  0.3361467      0.6512657 0.3043098      0.8175349 0.3914399      1.077400  -1.123611      4.954385  
1 1 1 29 11 10 o 6.738205 2.155096  -0.4128043     0.6142168 -0.9678329E-01 0.7488632 -1.062400      1.073659  0.9899521E-01  4.310191  
1 1 1 29 11 11 o 14.84085 2.278608  2.390834       0.6139266 2.473866       0.7282207 2.186822       1.141478  1.432001       4.557216  
1 1 1 29 11 12 o 14.05776 2.915012  1.562908       0.5000776 1.462507       0.5160388 3.111027       2.026357  -4.622661      5.830024  
1 1 1 29 11 13 o 15.10701 3.340433  2.671633       1.093088  2.948617       1.276330  1.909388       2.117308  2.166941       6.680866  
1 1 1 29 11 14 o 17.53982 3.856314  3.844484       1.493441  5.292475       2.367979  2.888134       1.924435  4.742738       7.712627  
1 1 1 29 11 15 o 16.12820 4.198651  3.756560       1.785808  3.523171       2.510728  3.995529       2.540565  -0.8005762     8.397302  
1 1 1 29 11 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 11 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 12 0  o 10.21526 3.501505  1.116358       0.7679269 2.620972       1.563008  0.6375921      0.8816785 0.000000       0.000000  
1 1 1 29 12 1  o 13.29273 2.018823  1.858615       0.5669476 3.144474       0.8094009 0.6200386      0.7943803 8.744172       4.037646  
1 1 1 29 12 2  o 31.60127 0.9949626 10.00586       0.6280659 10.72868       0.9025783 9.327276       0.8745247 2.214388       1.989925  
1 1 1 29 12 3  o 9.867060 2.141894  0.7034489      0.5726251 1.850014       0.8163172 -0.4072949     0.8034642 6.753217       4.283787  
1 1 1 29 12 4  o 13.87317 2.296853  1.868538       0.5988322 1.511310       0.7257096 2.630801       1.060091  -3.795236      4.593706  
1 1 1 29 12 5  o 27.08465 1.059798  7.360962       0.5738944 7.177901       0.7992597 7.555792       0.8245494 -0.6941776     2.119596  
1 1 1 29 12 6  o 33.78805 0.9216825 11.48786       0.6196281 12.88256       0.8790723 10.11070       0.8735271 4.101116       1.843365  
1 1 1 29 12 7  o 27.97038 1.332950  7.767531       0.7395562 9.052495       1.134465  6.817885       0.9752737 3.955624       2.665901  
1 1 1 29 12 8  o 26.91205 0.9490492 6.803075       0.4853604 8.851904       0.8662796 5.865642       0.5859701 5.491777       1.898098  
1 1 1 29 12 9  o 22.19668 1.679604  5.322978       0.6480728 5.710010       0.7663699 4.351497       1.214179  3.211430       3.359209  
1 1 1 29 12 10 o 7.811453 2.360586  0.5188529E-01  0.6412532 0.1405038      0.8141633 -0.9291724E-01 1.040728  -0.4153419     4.721172  
1 1 1 29 12 11 o 7.636879 2.263825  -0.1057093     0.6491621 0.6474274      0.8389660 -1.229368      1.024766  2.746369       4.527649  
1 1 1 29 12 12 o 12.66089 2.017186  1.752380       0.4921257 1.894140       0.6143867 1.498597       0.8220452 1.847200       4.034373  
1 1 1 29 12 13 o 17.65980 3.485000  3.308676       1.151220  2.901152       1.330134  4.525246       2.298197  -3.313982      6.970000  
1 1 1 29 12 14 f 12.21488 3.275564  1.613968       1.101116  1.791278       1.422154  1.348582       1.739879  0.6006422      6.551128  
1 1 1 29 12 15 o 10.96496 3.224118  1.025511       1.153585  1.599940       1.258049  -2.008769      2.891396  1.599365       6.448236  
1 1 1 29 12 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 12 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 13 0  o 48.90152 1.362155  23.48422       1.128322  25.24681       2.356028  22.95966       1.285302  0.000000       0.000000  
1 1 1 29 13 1  o 38.47403 1.275555  14.42204       0.8611646 15.82272       1.724893  13.95700       0.9938952 2.328468       2.551111  
1 1 1 29 13 2  o 31.91821 0.9577610 10.19263       0.6104391 9.432980       0.8431471 11.02948       0.8849517 -2.496696      1.915522  
1 1 1 29 13 3  o 9.134755 2.462252  0.5791423      0.6128556 0.4761852      0.7854711 0.7393503      0.9798151 -1.359873      4.924503  
1 1 1 29 13 4  o 25.56618 1.375349  6.484538       0.6598917 6.312348       0.7997074 6.851958       1.168178  -0.9939232     2.750698  
1 1 1 29 13 5  o 9.671263 2.097753  0.8325712      0.5144147 1.601370       0.7143980 0.4706226E-02  0.7413338 5.283895       4.195506  
1 1 1 29 13 6  f 49.87708 0.8692853 24.51023       0.8515419 22.73136       1.089460  27.30342       1.365181  -4.543941      1.738571  
1 1 1 29 13 7  o 25.49789 1.140930  6.572079       0.5784664 7.357833       0.8163689 5.779721       0.8197919 3.095304       2.281861  
1 1 1 29 13 8  o 11.05203 2.385834  1.173041       0.5665895 0.8598845      0.7099584 1.722337       0.9402760 -3.278619      4.771667  
1 1 1 29 13 9  o 13.05599 2.499641  1.297709       0.6283796 0.7068385      0.7187414 3.214370       1.294491  -8.316527      4.999281  
1 1 1 29 13 10 o 11.16187 2.500353  1.294679       0.5832793 1.350294       0.6757858 1.132228       1.154983  0.1263542      5.000706  
1 1 1 29 13 11 o 14.96809 2.323501  2.548293       0.6553005 2.882300       0.8009167 1.871898       1.139751  3.626572       4.647003  
1 1 1 29 13 12 o 7.763090 2.671909  -0.5924096     0.6275578 -0.5156912     0.6513552 -1.585150      2.343075  -4.655540      5.343819  
1 1 1 29 13 13 o 10.17104 1.799290  1.261214       0.4682595 1.953106       0.5521374 -0.5113186     0.8837413 7.256834       3.598579  
1 1 1 29 13 14 o 29.22018 2.296539  8.706228       0.9818771 8.383838       1.066653  10.49593       2.513172  -1.483370      4.593077  
1 1 1 29 13 15 o 19.24057 3.477963  4.282741       1.289297  4.282741       1.289297  ?              ?         ?              ?         
1 1 1 29 13 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 13 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 14 0  o 12.68743 3.327674  2.385719       0.8022320 1.491191       1.706437  2.639514       0.9089397 0.000000       0.000000  
1 1 1 29 14 1  o 19.04977 2.300759  3.894225       0.8255942 4.622427       1.101896  2.962241       1.246577  4.686165       4.601518  
1 1 1 29 14 2  o 11.06394 2.438931  1.241529       0.5949370 1.189294       0.9038800 1.281457       0.7902567 -0.1666279     4.877861  
1 1 1 29 14 3  o 22.69022 1.275854  4.936961       0.5608382 7.130122       0.8980141 3.534542       0.7181032 7.896055       2.551708  
1 1 1 29 14 4  f 17.99336 1.630495  3.288712       0.5744250 3.371099       0.7456944 3.168475       0.9008403 0.5955372      3.260990  
1 1 1 29 14 5  o 38.37513 0.9228274 14.82699       0.7014542 15.16635       0.9356781 14.39153       1.059909  1.025639       1.845655  
1 1 1 29 14 6  o 47.14729 0.8996099 22.47644       0.8371063 21.27530       1.272684  23.39234       1.111344  -2.271503      1.799220  
1 1 1 29 14 7  o 19.93224 1.406670  4.010554       0.5593410 3.628537       0.7755728 4.424614       0.8074446 -1.988125      2.813339  
1 1 1 29 14 8  o 23.03342 1.266867  5.345366       0.5827123 4.949396       0.8060740 5.778803       0.8433484 -1.790501      2.533734  
1 1 1 29 14 9  o 24.06213 1.631856  5.683560       0.6977490 5.451340       0.8100463 6.351265       1.373578  -1.659735      3.263712  
1 1 1 29 14 10 o 14.93594 2.276479  2.870435       0.6216643 3.479132       0.7264981 1.205990       1.201347  7.143620       4.552958  
1 1 1 29 14 11 o 6.982321 2.217140  -0.2597520     0.6007010 -0.1118651     0.7101371 -0.6317469     1.126278  -0.8926773     4.434281  
1 1 1 29 14 12 o 15.37831 2.106942  2.707435       0.5378074 2.883538       0.6193871 2.167887       1.084163  2.889986       4.213885  
1 1 1 29 14 13 o 18.31201 2.688772  1.686286       0.5436974 1.331819       0.5592202 7.806631       2.323715  -14.52115      5.377545  
1 1 1 29 14 14 o 10.70190 2.427840  1.160588       0.6409482 1.991630       0.9345288 0.4224633      0.8807365 4.867900       4.855680  
1 1 1 29 14 15 o 15.14398 4.424410  2.943190       1.423402  2.943190       1.423402  ?              ?         ?              ?         
1 1 1 29 14 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 15 0  o 7.185430 4.116609  0.6889785      0.9219894 0.6889785      0.9219894 0.6889785      0.9219894 0.000000       0.000000  
1 1 1 29 15 1  o 60.31943 1.026640  36.75772       1.157863  37.22096       1.411565  35.80500       2.024317  1.245224       2.053279  
1 1 1 29 15 2  o 28.59671 1.350959  8.406608       0.7169836 7.739339       1.251103  8.732922       0.8749053 -1.797630      2.701918  
1 1 1 29 15 3  o 31.90396 1.027104  10.27556       0.6516005 9.275488       0.9388021 11.20516       0.9051250 -3.028633      2.054208  
1 1 1 29 15 4  o 31.11582 1.105161  9.671271       0.6751360 9.445527       0.8703884 10.01225       1.069715  -0.8812561     2.210322  
1 1 1 29 15 5  o 10.37179 2.199615  1.061671       0.5338220 1.672689       0.7472690 0.4249086      0.7628487 4.360029       4.399230  
1 1 1 29 15 6  o 12.74864 2.388028  1.615499       0.6090498 2.296216       1.009449  1.225856       0.7637205 3.782484       4.776056  
1 1 1 29 15 7  o 43.99523 0.9437770 19.29631       0.8176511 20.37497       1.287967  18.56811       1.058249  2.006886       1.887554  
1 1 1 29 15 8  o 18.35479 1.526047  3.412611       0.5590984 3.125060       0.7773384 3.720794       0.8047427 -1.613880      3.052095  
1 1 1 29 15 9  o 9.914091 2.648094  0.7399412      0.6215270 0.6816894      0.7022317 0.9505713      1.335323  -2.323483      5.296189  
1 1 1 29 15 10 o 14.41687 2.781631  2.267738       0.6909011 2.314356       0.7573485 2.036496       1.686750  0.7518845      5.563262  
1 1 1 29 15 11 o 20.16925 1.926959  4.231954       0.6841707 4.236358       0.7989666 4.219844       1.324767  0.4103508      3.853918  
1 1 1 29 15 12 o 12.59704 2.472837  1.220333       0.5660647 0.7796246      0.6320845 3.005578       1.272180  -7.489130      4.945674  
1 1 1 29 15 13 o 28.15303 1.397460  8.113705       0.6573535 8.053887       0.7469077 8.319243       1.384519  0.3711510E-01  2.794920  
1 1 1 29 15 14 f 34.66329 1.699938  12.35579       1.178509  12.35579       1.178509  ?              ?         ?              ?         
1 1 1 29 15 15 o 20.42434 4.125677  5.181108       1.626285  5.181108       1.626285  ?              ?         ?              ?         
1 1 1 29 15 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 16 0  f 53.39527 1.422378  28.84434       1.439951  28.37442       2.436565  29.09654       1.785013  0.000000       0.000000  
1 1 1 29 16 1  o 25.16287 1.281721  6.373980       0.6444793 6.515490       0.8995358 6.224729       0.9238117 0.5817318      2.563441  
1 1 1 29 16 2  o 26.28580 1.247275  7.001504       0.6506710 6.297294       0.9467341 7.631919       0.8957562 -2.546879      2.494551  
1 1 1 29 16 3  o 34.12504 1.050044  11.61585       0.7130996 12.45057       1.075247  10.96045       0.9527737 2.166187       2.100089  
1 1 1 29 16 4  o 34.47555 1.259754  11.96148       0.7988752 11.94973       0.9575385 11.98838       1.449051  0.3882599E-01  2.519508  
1 1 1 29 16 5  o 20.23418 1.642683  4.386166       0.6191671 4.979786       0.7828164 3.394268       1.011904  3.983879       3.285366  
1 1 1 29 16 6  o 24.67896 1.302595  6.102252       0.6401083 6.952085       0.9490086 5.392894       0.8670348 3.138006       2.605191  
1 1 1 29 16 7  o 24.44538 1.193355  5.963643       0.5800560 5.445613       0.7713547 6.637853       0.8799832 -2.411016      2.386711  
1 1 1 29 16 8  o 26.27644 1.264164  7.048637       0.6531059 7.446863       0.8637465 6.517006       0.9979923 1.807190       2.528329  
1 1 1 29 16 9  o 32.74789 1.063122  10.97265       0.6851820 11.99614       0.9203670 9.700148       1.026243  3.536234       2.126244  
1 1 1 29 16 10 o 14.15423 2.577510  2.094143       0.6489807 2.032580       0.7385698 2.302724       1.359476  -0.6725702     5.155019  
1 1 1 29 16 11 o 10.90148 2.745239  1.101392       0.6802732 1.044807       0.7849005 1.272210       1.363738  -1.613790      5.490477  
1 1 1 29 16 12 o 11.16119 2.978487  0.8953832      0.6490233 0.7871284      0.6919850 1.686892       1.871116  -4.301064      5.956974  
1 1 1 29 16 13 o 23.45376 1.688557  5.615794       0.6505720 5.491173       0.7323638 6.082103       1.416663  -0.5569649     3.377113  
1 1 1 29 16 14 o 15.05206 3.070794  2.853167       0.9711742 2.997367       1.242309  2.626545       1.557385  1.398728       6.141588  
1 1 1 29 16 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 16 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 17 0  o 22.26593 2.855425  5.845732       0.9902765 4.620124       1.741572  6.431326       1.203827  0.000000       0.000000  
1 1 1 29 17 1  o 58.81107 0.9896491 34.68168       1.163505  35.98539       1.674703  33.46526       1.617667  2.135105       1.979298  
1 1 1 29 17 2  o 13.02742 2.225672  1.815479       0.5773674 2.123591       0.7949055 1.471416       0.8400010 2.360641       4.451344  
1 1 1 29 17 3  o 39.56194 0.9802796 15.71921       0.7744046 15.69587       1.126874  15.74009       1.066006  -0.6521606E-01 1.960559  
1 1 1 29 17 4  o 45.62885 1.499901  21.80503       1.029195  22.21630       1.136325  19.92725       2.428088  2.833775       2.999801  
1 1 1 29 17 5  o 21.48256 1.402030  4.662535       0.6018362 4.662622       0.8336364 4.662441       0.8697624 0.9803772E-02  2.804060  
1 1 1 29 17 6  o 14.72764 2.032816  2.290111       0.5766953 2.209241       0.7917285 2.381513       0.8417044 -0.5492344     4.065631  
1 1 1 29 17 7  o 45.13186 0.8660502 20.46100       0.7814413 21.20012       1.109837  19.73430       1.100473  1.622200       1.732100  
1 1 1 29 17 8  o 13.78820 2.184298  2.043483       0.5865166 2.143331       0.7987230 1.926636       0.8640418 0.8101578      4.368595  
1 1 1 29 17 9  o 18.59418 1.599113  3.596889       0.5743376 4.682948       0.8165140 2.533298       0.8080245 5.776653       3.198226  
1 1 1 29 17 10 o 37.51978 1.304597  13.87846       0.9211019 13.12110       1.113080  15.52388       1.640641  -2.982445      2.609194  
1 1 1 29 17 11 o 11.55624 2.880383  1.209867       0.7469842 1.028325       0.8652320 1.741219       1.480253  -2.792650      5.760767  
1 1 1 29 17 12 o 10.92245 2.941137  0.9469831      0.6282926 0.9026770      0.6654328 1.310983       1.907318  -3.165205      5.882273  
1 1 1 29 17 13 o 8.977745 2.593092  0.5299738      0.6265171 0.4895296      0.7038949 0.6841862      1.374483  -2.156987      5.186183  
1 1 1 29 17 14 o 10.77019 3.015051  1.055819       1.007296  1.665437       1.337742  0.2576013      1.530749  2.406500       6.030102  
1 1 1 29 17 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 17 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 18 0  o 20.44703 2.881455  4.348747       0.9003410 5.151385       1.862084  4.103849       1.028564  0.000000       0.000000  
1 1 1 29 18 1  o 14.95795 2.308700  2.382996       0.6659028 2.294494       1.022138  2.448257       0.8777294 -0.5870914     4.617399  
1 1 1 29 18 2  o 20.56181 1.624269  4.378433       0.6448996 4.726487       0.8323657 3.855736       1.020036  2.167618       3.248539  
1 1 1 29 18 3  o 43.96776 0.9579865 19.47598       0.8399197 18.50502       1.215383  20.36360       1.162062  -2.122894      1.915973  
1 1 1 29 18 4  o 31.01430 1.172371  9.619297       0.6948968 9.460002       0.8605068 9.917911       1.178175  -0.6705647     2.344742  
1 1 1 29 18 5  o 20.43471 1.744900  4.093356       0.6965066 5.005335       1.145729  3.558756       0.8772105 3.441650       3.489800  
1 1 1 29 18 6  o 27.18704 1.238628  7.374866       0.6625226 7.017513       0.8540817 7.914779       1.049814  -1.598984      2.477256  
1 1 1 29 18 7  o 26.36878 1.227674  7.064002       0.6432366 7.690629       0.8898173 6.378144       0.9309222 2.499947       2.455347  
1 1 1 29 18 8  o 36.76407 0.9553349 13.60736       0.7023571 13.52901       0.9846039 13.68853       1.002195  -0.2124939     1.910670  
1 1 1 29 18 9  o 13.46712 2.382745  1.948758       0.6212108 1.912844       0.7744104 2.013578       1.040393  -0.2428885     4.765491  
1 1 1 29 18 10 o 15.36428 3.249212  2.442966       0.8174753 2.395929       0.8718596 2.785106       2.351398  -0.9767904     6.498423  
1 1 1 29 18 11 o 12.48683 2.921152  1.640313       0.7983984 1.611576       0.9453282 1.711813       1.491105  -0.7205801     5.842305  
1 1 1 29 18 12 o 11.36428 2.828936  1.359699       0.6734900 1.433457       0.7289563 0.9296160      1.760252  -0.5121422E-01 5.657872  
1 1 1 29 18 13 o 12.30359 3.015873  1.638096       0.8614115 1.399073       1.046278  2.141012       1.517661  -2.156724      6.031746  
1 1 1 29 18 14 o 10.32558 3.017225  0.8588615      0.9814303 0.7769186      1.224267  1.006218       1.641744  -1.136508      6.034449  
1 1 1 29 18 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 18 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 19 0  o 21.91089 2.865520  5.738025       0.9242260 4.582464       1.759535  6.178335       1.086127  0.000000       0.000000  
1 1 1 29 19 1  o 29.92823 1.244793  9.035347       0.7378838 9.077486       0.9793038 8.980003       1.122303  0.1952915      2.489586  
1 1 1 29 19 2  o 11.35182 2.462399  1.337811       0.6131334 1.441797       0.8426240 1.220799       0.8938442 0.7049561      4.924798  
1 1 1 29 19 3  o 57.55698 0.9680644 33.29722       1.113277  33.46606       1.542729  33.11376       1.608130  0.3176994      1.936129  
1 1 1 29 19 4  f 8.518728 2.384167  0.3208240      0.6490334 0.8656875      0.8428630 -0.4728884     1.017290  2.435537       4.768334  
1 1 1 29 19 5  o 37.65368 1.097753  14.39341       0.8000997 14.74828       1.018460  13.82135       1.293116  1.294731       2.195506  
1 1 1 29 19 6  o 12.37700 2.353534  1.663896       0.6267322 0.9398931      0.9304742 2.265143       0.8479317 -4.439530      4.707067  
1 1 1 29 19 7  o 49.10740 0.8826857 24.23592       0.8662167 24.08274       1.199243  24.40302       1.252525  -0.3148384     1.765371  
1 1 1 29 19 8  o 35.98116 1.015510  13.05438       0.7301379 13.04090       1.011339  13.06905       1.055199  -0.2632904E-01 2.031021  
1 1 1 29 19 9  o 23.35429 1.335621  5.559010       0.6191128 6.358427       0.8777713 4.767606       0.8733610 3.404118       2.671242  
1 1 1 29 19 10 o 28.84501 1.193660  8.433527       0.6883134 8.732347       0.9908212 8.154812       0.9569088 0.9865227      2.387321  
1 1 1 29 19 11 o 8.182589 2.519919  0.5830837E-01  0.6721147 0.1197315      0.7656153 -0.1481001     1.403487  -1.784297      5.039838  
1 1 1 29 19 12 o 5.588051 2.627579  -0.7280408     0.7612851 -0.7280408     0.7612851 ?              ?         ?              ?         
1 1 1 29 19 13 o 11.13354 2.929765  0.2904125E-01  0.7058957 -0.5329439     0.7598863 3.567534       1.906757  -10.56887      5.859531  
1 1 1 29 19 14 o 19.38165 3.012657  4.652614       1.261250  8.007979       1.898825  2.003421       1.687220  13.54018       6.025315  
1 1 1 29 19 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 20 0  o 40.22328 1.807746  16.70403       1.416590  15.28068       2.155355  17.78643       1.879565  0.000000       0.000000  
1 1 1 29 20 1  o 52.95374 0.9394293 28.10954       0.9823629 27.79472       1.287498  28.54818       1.519752  -0.6712952     1.878859  
1 1 1 29 20 2  o 40.29776 0.9717529 16.39643       0.7787188 17.19519       1.062978  15.47121       1.144033  2.154076       1.943506  
1 1 1 29 20 3  o 25.26516 1.516660  6.545790       0.7547567 7.023497       1.008477  5.937501       1.137995  2.189758       3.033321  
1 1 1 29 20 4  o 20.06744 1.834242  4.116385       0.7348394 4.312726       1.027321  3.910677       1.051542  1.011278       3.668483  
1 1 1 29 20 5  o 11.79576 2.534166  1.456653       0.6542545 1.251521       0.9304036 1.657306       0.9201921 -1.341311      5.068332  
1 1 1 29 20 6  o 19.98553 1.559389  4.017189       0.6196861 3.697297       0.8238651 4.433967       0.9403864 -1.801346      3.118778  
1 1 1 29 20 7  o 25.26072 1.293308  6.497008       0.6496053 6.923000       0.8925496 6.017202       0.9472496 1.811913       2.586616  
1 1 1 29 20 8  o 29.33216 1.203304  8.774723       0.6999611 9.704901       0.9681351 7.755955       1.013190  3.337513       2.406607  
1 1 1 29 20 9  o 11.38441 2.361799  1.385703       0.5872408 1.791234       0.8339192 0.9867853      0.8270907 2.830367       4.723599  
1 1 1 29 20 10 o 18.90944 1.698888  3.752506       0.6302715 4.204167       0.8510545 3.203910       0.9379441 2.701298       3.397776  
1 1 1 29 20 11 o 9.279491 2.633342  0.5604975      0.6783759 0.5022817      0.7940351 0.7178131      1.305285  -1.891898      5.266685  
1 1 1 29 20 12 o 8.581650 2.733564  -0.7393343E-01 0.7369884 -0.1455478     0.8048440 0.2978568      1.833837  -3.673585      5.467127  
1 1 1 29 20 13 o 6.535234 2.937185  -0.2259731     0.8024409 -0.2259731     0.8024409 ?              ?         ?              ?         
1 1 1 29 20 14 o 22.29428 2.886099  6.157195       1.241105  6.715474       1.682621  5.491026       1.838032  3.528172       5.772197  
1 1 1 29 20 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 21 0  o 35.17412 2.273999  12.69078       1.562486  10.97115       2.082172  14.90730       2.363925  0.000000       0.000000  
1 1 1 29 21 1  f 9.707056 2.367331  0.7035066      0.6191046 -0.5884857E-01 0.8564201 1.537981       0.8960135 -4.684422      4.734662  
1 1 1 29 21 2  o 11.75349 2.482313  1.274538       0.6534228 0.6385024      0.8377392 2.262593       1.044140  -5.447856      4.964627  
1 1 1 29 21 3  o 23.43373 1.425771  5.558054       0.6673969 5.544709       0.9208121 5.572823       0.9686906 -0.4542923E-01 2.851543  
1 1 1 29 21 4  o 24.25447 1.567096  5.904387       0.7541759 5.482589       0.9937634 6.477263       1.158138  -1.995907      3.134192  
1 1 1 29 21 5  o 10.40096 2.454990  0.9320120      0.6162416 0.4451228      0.7977996 1.652215       0.9703003 -4.123021      4.909981  
1 1 1 29 21 6  f 28.20253 1.480504  8.161888       0.8260465 8.996194       1.130850  7.207453       1.209527  3.200386       2.961009  
1 1 1 29 21 7  o 14.38107 2.191471  2.201682       0.6123966 1.804164       0.8291959 2.678686       0.9083219 -2.935352      4.382942  
1 1 1 29 21 8  o 23.50351 1.481682  5.671936       0.6785483 5.850133       0.8750988 5.403255       1.074545  1.036690       2.963364  
1 1 1 29 21 9  o 10.09621 2.410387  0.9165473      0.6283971 0.2171106      0.8857175 1.625445       0.8916879 -4.198494      4.820775  
1 1 1 29 21 10 o 14.63477 2.199871  2.334902       0.6106780 2.299995       0.9857363 2.356643       0.7779486 -0.4132795     4.399742  
1 1 1 29 21 11 o 18.64613 1.813775  3.827536       0.6320326 4.466920       0.8418414 3.001581       0.9568144 4.276947       3.627550  
1 1 1 29 21 12 o 12.70567 2.894263  1.195494       0.7402666 0.6059164      0.8278120 3.549004       1.653938  -8.227304      5.788527  
1 1 1 29 21 13 o 9.436720 2.879310  0.4007407      0.8436131 0.3159416      0.9542253 0.7042168      1.805167  -2.565963      5.758621  
1 1 1 29 21 14 o 10.34157 4.468786  0.000000       0.000000  ?              ?         0.7779745      1.692304  ?              ?         
1 1 1 29 21 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 22 0  o 17.09813 4.412197  3.920809       1.368644  3.368189       1.756434  4.774989       2.183702  0.000000       0.000000  
1 1 1 29 22 1  o 9.248919 2.461652  0.6277984      0.6392581 1.003604       0.8830750 0.2140448      0.9265887 2.008119       4.923304  
1 1 1 29 22 2  o 10.86155 2.570284  1.112943       0.6564034 0.8215197      0.8595370 1.520701       1.016725  -2.444628      5.140569  
1 1 1 29 22 3  o 10.29060 2.565831  0.9833038      0.6591028 1.020903       0.9331365 0.9458691      0.9310911 0.2267494      5.131661  
1 1 1 29 22 4  o 18.36241 2.103196  3.632587       0.7067547 3.905084       0.8847988 3.152245       1.174732  2.480902       4.206392  
1 1 1 29 22 5  o 34.20398 1.284637  11.78477       0.8753117 11.32171       1.177623  12.35643       1.308441  -1.471294      2.569274  
1 1 1 29 22 6  o 7.811000 2.348485  0.7073040E-01  0.6404709 0.3050734E-01  0.8735216 0.1174932      0.9418593 -0.4549494     4.696969  
1 1 1 29 22 7  o 57.75794 0.9177650 33.46447       1.056655  32.19752       1.427106  35.00186       1.572060  -2.389992      1.835530  
1 1 1 29 22 8  o 32.25897 1.239076  10.57629       0.7952625 9.215550       1.108366  12.02016       1.141718  -4.331905      2.478151  
1 1 1 29 22 9  o 18.61109 1.805959  3.552793       0.6638246 2.845429       0.8975073 4.407127       0.9863483 -4.135035      3.611917  
1 1 1 29 22 10 o 10.08188 2.331224  1.004912       0.5892156 1.587207       0.8010748 0.3185734      0.8697028 3.874110       4.662448  
1 1 1 29 22 11 o 12.79638 2.473980  1.921715       0.6630635 2.260147       0.8735870 1.461771       1.018412  2.746511       4.947961  
1 1 1 29 22 12 o 11.17096 2.859013  1.272472       0.7319394 1.168564       0.8372648 1.609281       1.507411  -1.767314      5.718025  
1 1 1 29 22 13 o 21.49846 2.424800  5.769011       0.8569969 6.319520       1.014537  4.397705       1.601226  5.943556       4.849599  
1 1 1 29 22 14 o 30.39000 3.285047  0.000000       0.000000  ?              ?         10.61686       1.996651  ?              ?         
1 1 1 29 22 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29 23 0  o 6.793361 3.143739  0.5083313E-01  0.9605311 -0.1678442     1.709048  0.1518008      1.161298  0.000000       0.000000  
1 1 1 29 23 1  o 11.77431 2.904851  1.225106       0.7578425 1.083002       0.8765449 1.645786       1.508155  -2.566520      5.809702  
1 1 1 29 23 2  o 7.106622 2.229753  -0.4050904     0.6450095 -0.8459924     0.8775995 0.1128679      0.9512019 -2.001887      4.459507  
1 1 1 29 23 3  o 11.99049 2.598741  1.495171       0.6876318 1.801054       0.9965614 1.217190       0.9500235 1.928274       5.197481  
1 1 1 29 23 4  o 12.23788 2.633334  1.513818       0.6865310 1.250600       0.8665755 1.957482       1.125060  -2.471538      5.266668  
1 1 1 29 23 5  o 28.58992 1.283127  8.323011       0.7249802 8.583212       0.9634498 7.983350       1.100772  1.098389       2.566253  
1 1 1 29 23 6  o 49.55793 1.035519  24.57649       0.9923784 24.02304       1.246459  25.53466       1.640055  -1.409485      2.071038  
1 1 1 29 23 7  o 10.39328 2.628371  1.001890       0.7432467 1.524087       0.8909394 -0.1933090     1.347879  3.004436       5.256743  
1 1 1 29 23 8  o 29.60461 1.291096  9.024294       0.7532244 9.787581       1.012271  8.077423       1.127454  2.941467       2.582192  
1 1 1 29 23 9  o 20.87825 1.810650  4.523035       0.7544934 4.207881       1.068797  4.836095       1.065242  -1.506979      3.621300  
1 1 1 29 23 10 o 10.82184 2.372998  1.069921       0.6494130 0.1089569      0.8762898 2.240737       0.9672499 -6.449131      4.745996  
1 1 1 29 23 11 o 9.993887 2.463612  1.029730       0.6103259 0.7523503      0.8330634 1.351112       0.8967088 -1.953069      4.927225  
1 1 1 29 23 12 f 7.687799 2.483238  -0.2430844     0.7643571 -0.4049430E-01 0.8779684 -0.8774366     1.553585  -1.000328      4.966476  
1 1 1 29 23 13 o 9.556266 2.880041  0.4137229      0.9210885 -0.7145389E-02 1.124483  1.271935       1.605747  -3.174955      5.760081  
1 1 1 29 23 14 o 8.354513 3.937568  0.000000       0.000000  ?              ?         -0.8360769     1.729035  ?              ?         
1 1 1 29 24 0  o 14.30139 4.115791  2.935738       1.137375  3.121106       1.773782  2.806305       1.482190  0.000000       0.000000  
1 1 1 29 24 1  o 16.54630 2.125883  2.835960       0.6740640 1.828083       0.9022864 4.108872       1.014005  -7.027255      4.251765  
1 1 1 29 24 2  o 14.13526 2.567904  2.167541       0.7309952 2.054341       1.046692  2.275323       1.021340  -0.7234287     5.135809  
1 1 1 29 24 3  o 9.530328 2.571060  0.5798913      0.7118676 0.3115760E-01  0.9844181 1.181361       1.030637  -2.981094      5.142120  
1 1 1 29 24 4  o 34.19535 1.431777  11.89007       0.9700453 11.91988       1.288326  11.85105       1.474059  0.1758804      2.863554  
1 1 1 29 24 5  o 39.43763 1.070525  15.61644       0.8342201 15.19368       1.091489  16.21028       1.293632  -1.227013      2.141050  
1 1 1 29 24 6  o 13.13311 2.490660  1.920476       0.6890665 2.421624       0.9194109 1.278238       1.040817  3.706649       4.981320  
1 1 1 29 24 7  o 35.41510 1.130433  12.81537       0.7914151 13.53040       1.061198  11.91933       1.187958  2.328167       2.260867  
1 1 1 29 24 8  o 10.59214 2.858973  0.9090032      0.8337759 0.6489436      1.086685  1.281225       1.300074  -1.963959      5.717946  
1 1 1 29 24 9  o 12.77905 2.758822  1.813211       0.7696586 1.901498       1.072332  1.719404       1.105342  0.5590296      5.517644  
1 1 1 29 24 10 o 7.527870 2.298829  -0.2450760E-01 0.6552373 0.4000140      0.8852879 -0.5387937     0.9743994 1.456475       4.597659  
1 1 1 29 24 11 o 9.638155 2.586455  0.8662827      0.6977271 0.5810034      1.043059  1.097308       0.9386497 -1.138675      5.172909  
1 1 1 29 24 12 o 11.89505 2.892753  1.754279       0.8574231 2.109339       1.007268  0.8200707      1.633864  2.701274       5.785506  
1 1 1 29 24 13 o 7.822515 2.626213  -1.489946      1.142309  -2.866879      1.603007  -0.6935051E-01 1.628225  -2.494463      5.252426  
1 1 1 29 24 14 o 9.772386 4.311751  0.000000       0.000000  ?              ?         0.7270558      1.645799  ?              ?         
1 1 1 29 25 0  o 14.88371 3.783618  3.248890       1.033516  2.442049       2.068112  3.517463       1.193194  0.000000       0.000000  
1 1 1 29 25 1  o 9.078815 2.736958  0.1404973      0.8285403 0.1268156      1.458955  0.1470102      1.006612  1.450621       5.473915  
1 1 1 29 25 2  f 33.20735 1.364214  11.26779       0.8488588 11.42063       1.037888  10.95899       1.475246  0.8585548      2.728427  
1 1 1 29 25 3  o 28.59497 1.313356  8.291835       0.7510850 8.356477       1.061453  8.227010       1.062937  0.2269421      2.626712  
1 1 1 29 25 4  o 15.95557 2.231852  2.710397       0.6845397 2.485922       0.9211358 2.987283       1.023033  -1.488679      4.463705  
1 1 1 29 25 5  o 27.77047 1.383872  7.878189       0.7598771 8.160400       1.012844  7.514811       1.149301  1.217560       2.767744  
1 1 1 29 25 6  o 13.99791 2.696989  2.216382       0.7677482 2.388464       0.9698064 1.927476       1.256598  1.504086       5.393978  
1 1 1 29 25 7  o 12.83309 2.707675  1.768608       0.7366906 1.569581       0.9510560 2.067160       1.164824  -1.623529      5.415349  
1 1 1 29 25 8  o 11.21251 2.194245  1.266362       0.6480580 2.469594       0.8544640 -0.3630618     0.9943427 7.863043       4.388489  
1 1 1 29 25 9  o 13.53002 2.702345  2.141501       0.7527992 2.265779       0.9386110 1.917405       1.260386  1.250581       5.404691  
1 1 1 29 25 10 f 9.183363 2.491232  0.6503800      0.6702766 0.1338289      0.9265462 1.217490       0.9708323 -2.842604      4.982464  
1 1 1 29 25 11 o 7.142304 2.213986  -0.1667907     0.6328763 0.3924628      0.8872777 -0.7460052     0.9029732 2.002464       4.427973  
1 1 1 29 25 12 o 9.009266 2.806430  -0.5521008     0.9141308 -1.400870      1.074228  1.675957       1.740465  -5.984952      5.612861  
1 1 1 29 25 13 o 14.21227 4.944383  0.000000       0.000000  ?              ?         2.829381       1.725554  ?              ?         
1 1 1 29 26 0  o 15.60307 4.436972  3.029113       1.198304  3.029113       1.198304  3.029113       1.198304  0.000000       0.000000  
1 1 1 29 26 1  o 57.88154 1.035884  33.86658       1.196391  31.59006       1.705132  36.07406       1.679075  -3.881191      2.071767  
1 1 1 29 26 2  o 20.25571 2.097372  4.202610       0.8382697 4.528395       1.314837  3.979507       1.088080  1.218861       4.194743  
1 1 1 29 26 3  o 25.09475 1.665750  6.268438       0.7797185 5.984566       0.9365381 6.909668       1.407576  -1.622990      3.331501  
1 1 1 29 26 4  o 14.23920 2.463429  2.240541       0.6962249 2.475206       0.9304212 1.941950       1.049524  1.814758       4.926858  
1 1 1 29 26 5  o 18.00771 2.057376  3.372334       0.7198029 2.915092       0.9508004 3.986228       1.101698  -3.099127      4.114752  
1 1 1 29 26 6  o 13.68821 2.456198  2.117775       0.7054980 2.849970       0.9560094 1.242211       1.045425  5.158752       4.912395  
1 1 1 29 26 7  o 10.04589 2.787653  0.7243834      0.8124781 1.010509       1.252076  0.5162711      1.067828  1.588515       5.575307  
1 1 1 29 26 8  o 20.51523 1.865382  4.269870       0.7527640 3.530296       0.9688331 5.396483       1.195765  -4.338438      3.730764  
1 1 1 29 26 9  o 10.60151 2.761762  0.8159398      0.7712949 0.1925460      0.9431533 2.074599       1.340155  -5.275374      5.523525  
1 1 1 29 26 10 o 18.48571 2.023520  3.837818       0.7019900 4.686072       0.9606978 2.866040       1.028271  5.274096       4.047040  
1 1 1 29 26 11 f 7.055476 3.174948  -0.2281642     0.9405298 -0.2281642     0.9405298 ?              ?         ?              ?         
1 1 1 29 26 12 o 13.23297 4.412688  2.295352       1.370010  2.295352       1.370010  ?              ?         ?              ?         
1 1 1 29 26 13 o 9.156851 2.963325  0.4365835E-01  1.229635  0.5851877E-01  1.766223  0.2968108E-01  1.712935  0.1256704      5.926651  
1 1 1 29 27 0  o 20.86398 3.052068  4.876493       1.059722  5.187702       1.850004  4.724508       1.292848  0.000000       0.000000  
1 1 1 29 27 1  o 12.77480 2.748638  1.186866       0.7844699 3.233638       1.451725  0.3427141      0.9323088 8.535225       5.497275  
1 1 1 29 27 2  o 10.13101 2.644625  0.8968887      0.7126658 1.034267       0.9876760 0.7476765      1.029338  0.6867065      5.289251  
1 1 1 29 27 3  o 10.19279 2.764271  0.8340300      0.7903574 0.9394376      1.122937  0.7305533      1.112603  0.5409870      5.528543  
1 1 1 29 27 4  o 8.700825 2.491331  0.2106480      0.7343500 0.9704705      0.9999867 -0.6787512     1.081898  3.084820       4.982662  
1 1 1 29 27 5  o 30.75005 1.486027  9.777618       0.8868445 10.16554       1.139442  9.181539       1.412455  1.744656       2.972054  
1 1 1 29 27 6  o 8.629541 2.544945  0.2873779      0.7262614 0.3388360      0.9626464 0.2193927      1.106488  -0.2177286     5.089890  
1 1 1 29 27 7  o 17.63919 2.302490  3.557674       0.7563807 4.213882       0.9786621 2.584232       1.191973  5.063024       4.604981  
1 1 1 29 27 8  o 8.522069 2.525569  -0.4592265E-02 0.7934100 -0.9984649     1.125309  0.9778534      1.118821  -3.470088      5.051138  
1 1 1 29 27 9  o 15.92579 2.405260  2.828754       0.7335670 2.478406       0.9496272 3.347161       1.155150  -2.340701      4.810519  
1 1 1 29 27 10 o 9.410505 2.516820  0.6429246      0.7291033 1.545132       1.007659  -0.3484349     1.056273  4.210256       5.033639  
1 1 1 29 27 11 o 12.86676 3.212687  1.690942       0.8540778 1.328887       0.9481845 3.248093       1.966395  -4.358069      6.425373  
1 1 1 29 27 12 o 11.35232 3.315851  1.092741       1.286363  -0.9414019E-01 1.760196  2.453244       1.884548  -4.012362      6.631702  
1 1 1 29 27 13 o 8.295504 2.744309  -1.076498      1.213971  0.7961074      1.682589  -3.109612      1.753217  3.257703       5.488618  
1 1 1 29 28 0  o 26.19108 2.463799  6.524490       1.163461  9.271377       2.287509  5.565932       1.351300  0.000000       0.000000  
1 1 1 29 28 1  o 42.38023 1.200622  18.18158       1.016236  19.35015       1.483257  17.14774       1.395137  2.559166       2.401245  
1 1 1 29 28 2  o 21.66101 1.825886  4.445195       0.7512888 7.135679       1.274408  3.012118       0.9300963 9.284121       3.651773  
1 1 1 29 28 3  o 9.335520 2.548941  0.6304180      0.6971365 1.003143       0.9340544 0.1616887      1.047463  1.761197       5.097881  
1 1 1 29 28 4  o 9.562696 2.785116  0.3400148      0.8525102 -0.4953334E-01 1.098752  0.9292432      1.351328  -2.669445      5.570232  
1 1 1 29 28 5  o 14.22486 2.668692  2.262077       0.7696286 2.256159       1.042582  2.269164       1.140888  0.1014423E-01  5.337384  
1 1 1 29 28 6  o 15.55466 2.683486  2.685112       0.8292414 2.243927       1.121435  3.217376       1.231763  -2.843476      5.366971  
1 1 1 29 28 7  o 8.599973 2.527993  0.2484314      0.7517923 0.8249027      1.032702  -0.4015361     1.096559  2.228355       5.055986  
1 1 1 29 28 8  o 10.22478 2.711030  0.9186442      0.7604648 0.4435872      0.9967982 1.580163       1.176266  -3.153874      5.422059  
1 1 1 29 28 9  o 9.470496 2.567863  0.7992378      0.6945669 0.4669898      0.9821792 1.131603       0.9823527 -1.702396      5.135726  
1 1 1 29 28 10 o 22.65456 1.949636  5.935677       0.7928169 7.736446       1.076578  3.801891       1.171903  9.060644       3.899271  
1 1 1 29 28 11 o 10.58386 2.925426  0.9944074      1.029510  2.104161       1.321359  -0.7199487     1.642321  4.371685       5.850852  
1 1 1 29 28 12 o 11.58044 3.365075  1.676699       1.268019  1.165076       1.851016  2.129090       1.740574  -1.528238      6.730149  
1 1 1 29 29 0  o 10.00392 3.832890  1.541827       1.158280  0.3527657      2.017939  2.126071       1.414500  0.000000       0.000000  
1 1 1 29 29 1  o 9.820999 2.632342  0.6414961      0.7555592 1.387716       1.087965  -0.5366772E-01 1.050086  3.535946       5.264683  
1 1 1 29 29 2  o 13.00151 2.574338  1.814322       0.7431393 0.9392741      1.038825  2.731476       1.063525  -5.513122      5.148676  
1 1 1 29 29 3  o 18.25790 2.463607  3.556751       0.8481198 3.203335       1.073161  4.144710       1.384190  -2.205795      4.927215  
1 1 1 29 29 4  o 14.61215 2.722370  2.319065       0.7937425 2.008122       1.016036  2.806019       1.271489  -2.323676      5.444741  
1 1 1 29 29 5  o 22.18075 1.917496  4.728125       0.8140579 3.749830       0.9918287 6.747558       1.425006  -6.403095      3.834992  
1 1 1 29 29 6  o 22.78514 2.289515  5.861363       0.9663976 4.926704       1.528956  6.483183       1.247099  -4.075645      4.579029  
1 1 1 29 29 7  o 23.70045 1.932261  5.973960       0.9118759 6.418164       1.369896  5.620535       1.221926  1.492247       3.864522  
1 1 1 29 29 8  o 8.961996 2.553186  0.4706773      0.7499819 1.066847       0.9948137 -0.3143039     1.141527  2.492663       5.106371  
1 1 1 29 29 9  o 16.62227 2.548808  3.411206       0.8227483 4.041226       1.050300  2.410608       1.323628  5.412625       5.097617  
1 1 1 29 29 10 o 9.321060 2.581314  0.6844137      0.7586149 1.396238       1.033747  -0.1462955     1.116741  3.197075       5.162629  
1 1 1 29 29 11 o 22.40287 2.775542  6.349883       1.139598  7.064562       1.448512  5.188983       1.846137  5.546722       5.551085  
1 1 1 29 29 12 o 13.59690 3.597868  2.966609       1.318221  2.985297       1.861886  2.947825       1.866616  0.7975864E-01  7.195737  
1 1 1 29 30 0  o 10.74611 3.635685  1.826960       1.140717  -0.4943678     2.136463  2.752603       1.349115  0.000000       0.000000  
1 1 1 29 30 1  o 18.82343 2.549393  3.918845       0.9208230 3.535019       1.426308  4.193155       1.205776  -2.299269      5.098785  
1 1 1 29 30 2  o 15.48504 2.476059  2.588100       0.7848068 1.577391       1.075791  3.737921       1.147440  -6.758851      4.952117  
1 1 1 29 30 3  o 9.877338 2.739859  0.7099071      0.7766513 0.5937014      1.003519  0.8834655      1.226407  -1.243078      5.479718  
1 1 1 29 30 4  o 10.25371 2.683968  0.8304683      0.8300341 1.689001       1.056970  -0.5507790     1.340665  4.113578       5.367935  
1 1 1 29 30 5  o 9.384174 2.664393  0.5746206      0.7902511 1.051662       1.070654  0.3694814E-02  1.171281  1.983095       5.328786  
1 1 1 29 30 6  o 9.377109 2.622861  0.4029431      0.7905682 -0.4679633     1.066329  1.465936       1.178069  -4.282244      5.245722  
1 1 1 29 30 7  o 11.91897 2.886149  1.414106       0.9216964 2.631935       1.319372  0.2532507      1.288140  5.660466       5.772298  
1 1 1 29 30 8  o 24.27540 1.834847  6.395701       0.8792931 5.531181       1.278866  7.170810       1.210929  -3.473261      3.669694  
1 1 1 29 30 9  o 23.25620 2.013731  6.230225       0.8762206 7.058200       1.120806  4.928767       1.405196  5.075914       4.027461  
1 1 1 29 30 10 o 34.75991 2.458240  13.11911       1.708964  13.11911       1.708964  ?              ?         ?              ?         
1 1 1 29 30 11 o 12.57902 3.566760  2.320546       1.361843  2.191737       1.859610  2.469524       1.999909  -0.4439325     7.133520  
1 1 1 29 31 0  o 5.456480 2.744159  -1.548586      1.110739  -1.443561      1.840054  -1.608795      1.393208  0.000000       0.000000  
1 1 1 29 31 1  o 12.18406 2.897560  1.591450       0.8273749 1.524198       1.086696  1.684200       1.276181  -0.6083689     5.795120  
1 1 1 29 31 2  o 8.888179 2.750666  -0.5141536     1.012691  0.8498453      1.427502  -1.896107      1.436866  3.660463       5.501332  
1 1 1 29 31 3  o 7.150972 2.315753  -0.8324757     0.7953654 0.7754015E-01  1.071939  -1.947169      1.186379  2.128303       4.631505  
1 1 1 29 31 4  o 12.59179 2.919520  1.719583       0.8606000 2.498017       1.322959  1.148525       1.133119  3.765176       5.839041  
1 1 1 29 31 5  o 9.347992 2.749875  0.5164494      0.8497535 0.4376754      1.193887  0.5973286      1.209735  -0.3572435     5.499750  
1 1 1 29 31 6  o 8.375312 2.670747  -0.3267230     0.9539593 0.4550349E-01  1.266716  -0.8144484     1.449984  0.6237106      5.341494  
1 1 1 29 31 7  o 8.486809 2.559226  0.2507582      0.7583737 0.3113507E-01  0.9977602 0.5512184      1.167027  -1.485627      5.118452  
1 1 1 29 31 8  o 11.90104 3.069349  1.484389       0.8820236 1.102933       1.046277  2.421341       1.639769  -3.422212      6.138699  
1 1 1 29 31 9  o 9.105024 2.709545  0.5278999      0.8187802 0.3781167      1.041411  0.7703683      1.325007  -1.378278      5.419090  
1 1 1 29 31 10 o 11.78058 3.445825  1.581331       1.331502  1.880656       1.826702  1.242014       1.944909  0.9318266      6.891650  
1 1 1 29 31 11 f 12.56324 5.004756  0.000000       0.000000  ?              ?         2.414160       1.885259  ?              ?         
1 1 1 29 32 0  o 6.679711 3.224128  -0.8762609     1.034214  0.9413319      2.034565  -1.509545      1.200944  0.000000       0.000000  
1 1 1 29 32 1  o 15.93959 2.590677  2.997478       0.8498201 3.983757       1.154988  1.833240       1.254869  6.596713       5.181355  
1 1 1 29 32 2  o 10.67361 2.980356  0.9270226      0.9761986 0.2201872      1.453590  1.507722       1.317524  -2.303821      5.960711  
1 1 1 29 32 3  o 11.10460 2.881429  1.158402       0.9065241 0.1945610      1.307082  2.051704       1.258344  -4.106883      5.762859  
1 1 1 29 32 4  o 9.334438 2.688692  0.6138130      0.7905034 0.7489560      1.061624  0.4456352      1.184290  0.3560314      5.377385  
1 1 1 29 32 5  o 12.87164 2.774315  1.948354       0.8059759 2.489192       1.114936  1.356382       1.166452  3.332290       5.548630  
1 1 1 29 32 6  o 14.62774 2.451955  2.687644       0.8167931 4.041442       1.071748  0.8118353      1.261566  9.347445       4.903910  
1 1 1 29 32 7  o 9.015444 2.625993  0.4446657      0.8240565 1.116102       1.053576  -0.6133409     1.322537  2.483987       5.251987  
1 1 1 29 32 8  o 10.17092 3.017942  0.6964972      0.8806030 0.4624770      0.9972850 1.524706       1.876129  -3.342225      6.035884  
1 1 1 29 32 9  o 9.628097 2.783556  0.7721100      0.8773270 0.1774833      1.347378  1.209783       1.155958  -1.648176      5.567112  
1 1 1 29 32 10 o 11.07754 3.308728  1.504606       1.260179  1.184414       1.738832  1.858830       1.828903  -1.095431      6.617455  
1 1 1 29 33 0  o 7.408734 3.530892  -0.3294254     1.342829  0.6650013      2.271891  -0.8633678     1.664748  0.000000       0.000000  
1 1 1 29 33 1  o 15.00258 2.631556  2.768067       0.8804662 3.915663       1.158147  1.196495       1.355302  7.904933       5.263111  
1 1 1 29 33 2  o 19.13341 2.460509  4.250889       0.8975660 3.215586       1.322729  5.134445       1.221952  -5.456388      4.921018  
1 1 1 29 33 3  o 12.21666 2.941078  1.719252       0.8614650 1.785903       1.179821  1.643138       1.260798  0.3588028      5.882156  
1 1 1 29 33 4  o 11.18244 2.509101  1.103160       0.7594622 -0.2269536     1.039826  2.623981       1.111873  -7.425612      5.018201  
1 1 1 29 33 5  o 9.565954 2.781806  0.6313871      0.8565433 0.9904131      1.274650  0.3357797      1.156606  1.575515       5.563611  
1 1 1 29 33 6  o 10.94182 2.773746  1.369923       0.7837619 1.646997       1.013496  0.9577045      1.236199  1.614662       5.547491  
1 1 1 29 33 7  o 18.63527 2.504662  4.073230       0.8703869 4.047436       1.081017  4.120771       1.467611  1.021606       5.009324  
1 1 1 29 33 8  o 15.80220 3.218361  3.326693       1.042746  3.243039       1.287441  3.486217       1.777859  0.3733625      6.436722  
1 1 1 29 33 9  o 11.88516 3.050318  1.905831       0.9549307 1.464248       1.421128  2.269353       1.289412  -1.935919      6.100636  
1 1 1 29 34 0  o 9.138482 3.832806  1.296491       1.166608  0.1069751      2.587196  1.600076       1.307027  0.000000       0.000000  
1 1 1 29 34 1  o 19.57040 2.668191  4.286313       0.9686101 4.933663       1.697802  3.973944       1.179374  1.078714       5.336382  
1 1 1 29 34 2  f 17.71850 2.732716  3.605587       0.9354359 2.804651       1.212552  4.783013       1.470171  -4.935307      5.465432  
1 1 1 29 34 3  o 7.598978 2.454565  -0.4551832     0.8394768 -0.4618906     1.197952  -0.4487113     1.176731  0.5140591E-01  4.909129  
1 1 1 29 34 4  o 6.656932 2.214278  -0.9492704     0.7627316 -1.368451      1.046810  -0.4748781     1.113618  -1.321260      4.428557  
1 1 1 29 34 5  o 11.56625 2.812413  1.601780       0.7854236 1.624201       1.044549  1.572611       1.191395  0.1213169      5.624825  
1 1 1 29 34 6  o 11.03478 2.972801  1.323187       0.8596749 1.208846       1.034227  1.578800       1.546352  -1.274201      5.945601  
1 1 1 29 34 7  o 9.351482 2.705514  0.7512372      0.8027745 0.9021934      1.040757  0.5294976      1.261378  0.3631277      5.411028  
1 1 1 29 34 8  o 10.74904 2.912858  1.243583       0.9665537 0.7775927E-01  1.440119  2.199210       1.303845  -4.064850      5.825715  
1 1 1 29 34 9  o 10.49085 3.132970  1.175021       1.186878  0.3936546E-01  1.963556  1.828824       1.489854  -2.121350      6.265941  
1 1 1 29 35 0  o 8.132064 4.831692  0.9974989      1.342583  0.9974989      1.342583  0.9974989      1.342583  0.000000       0.000000  
1 1 1 29 35 1  f 25.46810 1.775052  6.941105       0.9038863 6.935044       1.263515  6.947459       1.293592  0.1765060E-01  3.550104  
1 1 1 29 35 2  f 10.13519 2.882892  0.9128340      0.8973877 0.6724870      1.392955  1.083362       1.173318  -0.4551058     5.765783  
1 1 1 29 35 3  o 7.811045 2.554171  -0.6096538     0.9426187 -0.3663983     1.382171  -0.8211688     1.288845  0.8359113      5.108342  
1 1 1 29 35 4  o 7.636711 2.420063  -0.2372441     0.7627605 -0.6614505     1.008507  0.3297534      1.165953  -2.055869      4.840126  
1 1 1 29 35 5  o 13.24429 2.783456  2.335764       0.8723776 3.043050       1.086231  1.050655       1.464182  5.418153       5.566911  
1 1 1 29 35 6  o 8.472881 2.618435  0.2350594      0.8328563 0.4588281      1.044625  -0.1553344     1.379787  0.1646357      5.236870  
1 1 1 29 35 7  o 8.853477 2.735998  0.3648562      0.9156015 0.2902942      1.259785  0.4483401      1.333029  -0.4085484     5.471996  
1 1 1 29 35 8  o 12.45210 2.954802  2.128526       0.9246156 1.269484       1.336629  2.916801       1.280391  -4.195045      5.909605  
1 1 1 29 36 0  o 6.611283 3.218269  -0.3472452     1.179759  -0.8351910     2.363219  -0.1852749     1.361558  0.000000       0.000000  
1 1 1 29 36 1  o 17.99485 2.524871  3.851842       0.8763269 3.985013       1.256465  3.725702       1.222845  0.6429176      5.049742  
1 1 1 29 36 2  o 26.72435 1.964372  7.837046       1.048082  8.484552       1.527391  7.260860       1.440818  2.132568       3.928744  
1 1 1 29 36 3  o 11.43242 3.191005  1.464183       1.074744  1.705802       1.586140  1.259088       1.461351  0.9842834      6.382010  
1 1 1 29 36 4  o 17.92855 2.330614  3.772007       0.8103163 4.396699       1.142337  3.139328       1.149618  3.811319       4.661227  
1 1 1 29 36 5  o 9.031330 2.779864  0.2043545      0.9949093 0.9370113      1.286367  -0.8863669     1.569537  1.974757       5.559728  
1 1 1 29 36 6  o 9.093576 2.795396  0.4995006      0.9445353 0.4565557      1.284653  0.5500333      1.393529  -0.3563118     5.590793  
1 1 1 29 36 7  f 23.52542 2.518453  6.624354       1.092306  9.998874       1.680227  4.154311       1.437521  11.94907       5.036906  
1 1 1 29 37 0  o 17.22641 4.015493  3.213328       1.149949  7.728393       2.501157  2.003078       1.294930  0.000000       0.000000  
1 1 1 29 37 1  f 21.86206 2.050430  5.231934       0.8847814 6.548765       1.360112  4.265859       1.164971  4.820765       4.100859  
1 1 1 29 37 2  o 9.249275 2.652205  0.6189833      0.8050852 -0.8252026E-01 1.145443  1.303882       1.131805  -2.793506      5.304411  
1 1 1 29 37 3  o 17.37132 2.580103  3.446844       0.8805001 2.435224       1.128946  5.017817       1.406853  -6.886773      5.160206  
1 1 1 29 37 4  o 9.686673 2.713988  0.8287085      0.8533950 1.548292       1.111235  -0.2058384     1.332418  3.064957       5.427975  
1 1 1 29 37 5  o 6.031329 2.119841  -2.509531      0.9677355 -2.526342      1.262712  -2.485601      1.506508  -0.7374320     4.239683  
1 1 1 29 37 6  o 11.01007 3.003980  1.573367       0.9798493 0.8389888      1.561699  2.050160       1.258352  -2.343923      6.007961  
1 1 1 29 38 0  o 13.01067 4.400767  3.095937       1.282989  3.198977       2.248912  3.046221       1.562140  0.000000       0.000000  
1 1 1 29 38 1  o 17.76977 2.407701  3.779929       0.8336129 3.198081       1.189713  4.341105       1.168389  -3.561863      4.815403  
1 1 1 29 38 2  o 26.21196 1.827227  7.507329       0.9505401 6.585053       1.256919  8.739441       1.452788  -3.693953      3.654454  
1 1 1 29 38 3  o 10.26054 2.900343  1.222754       0.8904272 1.130446       1.167563  1.351076       1.376610  -0.6250048     5.800686  
1 1 1 29 38 4  o 16.86962 2.791276  3.870946       1.014981  5.581255       1.426944  2.119492       1.444006  9.354664       5.582553  
1 1 1 29 39 0  o 16.26088 4.303359  3.534245       1.168753  6.536427       2.425771  2.626634       1.333771  0.000000       0.000000  
1 1 1 29 39 1  o 12.39409 2.957994  2.212238       0.9099754 2.562307       1.089686  1.405590       1.654117  3.160677       5.915989  
1 1 1 29 39 2  o 10.86344 2.812839  1.501660       0.8540745 2.101601       1.125576  0.6874436      1.311264  3.249354       5.625678  
1 1 1 30 0  0  o 51.03793 1.902398  26.33244       1.923590  26.26952       2.839856  26.38577       2.614794  0.000000       0.000000  
1 1 1 30 0  1  o 35.60640 1.623656  12.87595       1.146205  12.62378       1.604188  13.13896       1.638307  0.000000       0.000000  
1 1 1 30 0  2  o 9.133778 3.468668  0.9264634      1.049080  2.067080       1.368835  -0.6972063     1.633166  0.000000       0.000000  
1 1 1 30 0  3  o 52.90599 1.642567  27.99628       1.719914  30.57487       2.617556  26.03718       2.281565  0.000000       0.000000  
1 1 1 30 0  4  o 60.11086 1.321850  36.42774       1.580611  37.85390       2.177865  34.84048       2.297579  0.000000       0.000000  
1 1 1 30 0  5  o 70.28992 1.315247  49.48883       1.835717  48.25906       2.455524  51.04694       2.763950  0.000000       0.000000  
1 1 1 30 0  6  o 35.54330 1.639438  13.33124       1.108905  15.56395       1.473222  10.41270       1.684358  0.000000       0.000000  
1 1 1 30 0  7  o 5.063465 2.531698  -0.4322338     0.5618458 -0.4095805     0.5993530 -0.5964231     1.613575  0.000000       0.000000  
1 1 1 30 0  8  o 14.21642 6.208600  3.005744       1.821672  3.005744       1.821672  3.005744       1.821672  0.000000       0.000000  
1 1 1 30 0  9  o 36.43794 2.329246  14.05763       1.596163  12.89912       2.602583  14.75612       2.020843  0.000000       0.000000  
1 1 1 30 0  10 o 16.32166 4.342852  3.888522       1.413424  2.775827       2.153768  4.730230       1.873231  0.000000       0.000000  
1 1 1 30 0  11 o 10.57305 4.335763  1.611034       1.488544  1.131305       2.280405  1.967198       1.964894  0.000000       0.000000  
1 1 1 30 0  12 o 22.72013 4.029220  6.575942       1.528774  5.492238       2.523669  7.204149       1.921448  0.000000       0.000000  
1 1 1 30 0  13 o 8.579410 3.795177  -0.2243920     1.566200  -3.484501      2.461510  1.993270       2.030174  0.000000       0.000000  
1 1 1 30 0  14 o 19.38104 8.566865  6.677032       3.468361  6.677032       3.468361  6.677032       3.468361  0.000000       0.000000  
1 1 1 30 0  15 o 12.95610 7.302512  3.289418       2.847578  3.289418       2.847578  3.289418       2.847578  0.000000       0.000000  
1 1 1 30 0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 1  0  f 22.13613 3.999608  6.119005       1.280667  5.369941       2.716010  6.333164       1.452246  0.000000       0.000000  
1 1 1 30 1  1  o 21.68888 1.721373  4.742615       0.7465213 4.853388       1.054868  4.631474       1.056615  0.5118732      3.442745  
1 1 1 30 1  2  o 10.95369 2.614816  1.010560       0.7674306 -0.1370600     1.173128  1.869074       1.014659  -4.771227      5.229631  
1 1 1 30 1  3  o 10.15528 3.962013  0.6630362      1.161843  0.6630362      1.161843  ?              ?         ?              ?         
1 1 1 30 1  4  o 32.68047 1.437239  10.60548       0.9315646 8.921969       1.246096  12.73846       1.402611  -5.815485      2.874479  
1 1 1 30 1  5  o 44.01429 1.246687  19.35013       1.093985  21.02840       1.627015  17.96528       1.477961  3.459148       2.493373  
1 1 1 30 1  6  f 13.01225 2.179087  1.818558       0.5119855 1.544873       1.023886  1.909807       0.5912062 -1.499072      4.358174  
1 1 1 30 1  7  o 20.14960 1.402398  3.848983       0.5243579 4.759494       0.9779468 3.481599       0.6212019 3.093924       2.804797  
1 1 1 30 1  8  o 10.25935 3.137683  -0.3579296     1.243968  -1.602885      1.811902  0.7521118      1.710911  -2.865615      6.275366  
1 1 1 30 1  9  o 22.64831 2.216882  5.278668       1.003789  5.161749       1.396155  5.403774       1.444209  -0.5115128     4.433764  
1 1 1 30 1  10 o 22.74933 2.261438  5.335372       1.027455  4.961805       1.419919  5.745951       1.488595  -1.687883      4.522875  
1 1 1 30 1  11 o 15.06324 3.274478  2.510059       1.086529  2.742242       1.481680  2.239962       1.598083  1.252397       6.548956  
1 1 1 30 1  12 o 11.65186 3.221400  0.9910812      1.136156  1.708373       1.529129  0.1070529      1.697576  2.647822       6.442800  
1 1 1 30 1  13 o 10.31975 3.100242  0.2981658      1.136777  0.7760822      1.513479  -0.3204443     1.721904  1.172447       6.200484  
1 1 1 30 1  14 o 18.86238 4.565146  5.024984       2.047454  4.967034       2.603912  5.118842       3.313859  0.3335915      9.130292  
1 1 1 30 1  15 o 17.33060 4.318061  4.337793       1.880248  3.564120       2.624684  5.153383       2.694850  -2.741173      8.636123  
1 1 1 30 1  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 1  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 2  0  o 28.30480 1.989786  8.296171       1.097099  8.223203       1.652984  8.353623       1.466727  0.000000       0.000000  
1 1 1 30 2  1  o 26.80750 1.586411  7.286350       0.8342779 7.516293       1.089153  6.959886       1.297769  1.069366       3.172821  
1 1 1 30 2  2  o 23.61079 1.695702  5.646462       0.7857285 4.318929       1.088933  7.088353       1.134866  -5.857191      3.391405  
1 1 1 30 2  3  o 22.16914 2.065422  5.040393       0.9033304 5.581971       1.228531  4.402947       1.332838  2.681080       4.130845  
1 1 1 30 2  4  o 20.04520 1.811211  4.041711       0.7186472 3.297230       0.9833289 4.895218       1.052873  -3.972801      3.622421  
1 1 1 30 2  5  o 40.20071 1.177074  16.40702       0.9349016 14.78382       1.390632  17.74569       1.262882  -3.700474      2.354147  
1 1 1 30 2  6  o 21.61490 1.405650  4.478145       0.5665358 5.335792       1.040325  4.116569       0.6754835 2.754114       2.811299  
1 1 1 30 2  7  o 26.92400 1.148118  7.281741       0.6142179 7.375727       0.9254305 7.207739       0.8211584 0.2931881      2.296236  
1 1 1 30 2  8  o 14.08198 2.589441  1.742740       0.3755373 1.711504       0.3846652 2.377566       1.734141  -2.072739      5.178882  
1 1 1 30 2  9  o 14.97133 3.127131  2.418152       0.9945228 2.394752       1.314510  2.449477       1.520888  -0.2141886     6.254263  
1 1 1 30 2  10 o 13.90915 3.143688  1.997375       1.040794  2.832655       1.434608  1.069213       1.512270  4.306354       6.287376  
1 1 1 30 2  11 o 18.90243 2.949121  3.963072       1.118394  5.118169       1.565802  2.760004       1.597985  6.323189       5.898241  
1 1 1 30 2  12 o 19.12539 2.931581  4.129671       1.089973  4.565964       1.505966  3.649684       1.579577  2.448423       5.863162  
1 1 1 30 2  13 o 17.59122 3.264712  3.829895       1.232664  4.937559       1.568704  2.042021       1.992992  6.991635       6.529424  
1 1 1 30 2  14 o 17.89025 3.780448  4.421932       1.564210  2.431010       2.742068  5.382326       1.904477  -6.351385      7.560895  
1 1 1 30 2  15 o 12.61826 3.834060  1.268247       1.774723  2.007000       2.383645  0.3493313      2.658457  1.688455       7.668121  
1 1 1 30 2  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 2  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 3  0  o 19.34160 3.231661  4.925205       1.056193  2.547788       1.598351  6.767993       1.407205  0.000000       0.000000  
1 1 1 30 3  1  o 38.80240 1.097623  15.09673       0.8515441 15.55385       1.221706  14.66481       1.187550  1.141956       2.195245  
1 1 1 30 3  2  o 23.74976 1.721535  5.717566       0.8131940 6.249208       1.132628  5.151948       1.168259  2.316130       3.443070  
1 1 1 30 3  3  o 14.64592 2.908192  2.201030       0.9015321 1.596508       1.219315  2.930043       1.338990  -3.893579      5.816383  
1 1 1 30 3  4  o 55.05709 1.024379  30.33881       1.112390  30.81903       1.728618  29.99939       1.453280  0.7146835      2.048758  
1 1 1 30 3  5  o 48.64616 0.8532058 23.72074       0.7928920 23.71636       1.336106  23.72311       0.9851034 -0.4051208E-01 1.706412  
1 1 1 30 3  6  o 13.29877 2.233051  1.862222       0.5479386 1.843071       1.007836  1.870259       0.6528570 -0.1702261     4.466102  
1 1 1 30 3  7  o 15.13584 1.927316  2.250042       0.5585622 3.257823       0.8990814 1.616586       0.7128103 5.569411       3.854632  
1 1 1 30 3  8  o 13.90340 2.996297  1.864513       0.8818418 1.398708       1.085623  2.767985       1.511939  -4.148375      5.992595  
1 1 1 30 3  9  o 24.56276 2.167609  6.271671       1.052095  6.915271       1.436415  5.526779       1.545320  2.876032       4.335219  
1 1 1 30 3  10 o 17.65953 2.956345  3.469200       1.032835  3.989364       1.398509  2.845090       1.531884  3.154856       5.912690  
1 1 1 30 3  11 o 22.77648 2.715864  5.829971       1.155054  7.192608       1.552216  4.139196       1.729040  7.161392       5.431729  
1 1 1 30 3  12 o 10.68347 3.141717  0.4230472      1.150050  1.166967       1.564639  -0.4511750     1.696142  2.291272       6.283434  
1 1 1 30 3  13 o 22.09028 3.150085  5.149716       1.283942  4.245927       1.555990  7.078154       2.272877  -5.404028      6.300169  
1 1 1 30 3  14 o 11.53701 3.316995  1.087084       1.190299  0.8868936      1.577751  1.351546       1.813420  -1.198493      6.633990  
1 1 1 30 3  15 o 12.64210 3.857058  1.050196       1.875123  2.599766       2.547613  -0.7816682     2.769966  3.465266       7.714116  
1 1 1 30 3  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 3  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 4  0  o 13.27834 3.483495  2.470751       0.9990377 1.206011       1.464096  3.572721       1.366639  0.000000       0.000000  
1 1 1 30 4  1  o 10.59198 2.546535  1.043735       0.6454927 1.240714       0.9554365 0.8783302      0.8755192 1.302857       5.093070  
1 1 1 30 4  2  o 13.41422 2.898688  1.852982       0.8463961 1.809740       1.263006  1.888232       1.140341  -0.1212368     5.797375  
1 1 1 30 4  3  o 52.68395 1.097791  27.81788       1.112048  27.72098       1.391701  27.98901       1.849542  -0.2023659     2.195582  
1 1 1 30 4  4  o 18.94568 1.912530  3.382140       0.6097523 4.097161       1.326834  3.190705       0.6865423 2.265055       3.825060  
1 1 1 30 4  5  o 11.08608 2.357885  1.284728       0.5591611 1.032949       0.9446948 1.420504       0.6937360 -1.054218      4.715770  
1 1 1 30 4  6  o 11.17082 2.294212  0.9796184      0.5376830 2.208802       0.9982232 0.4772331      0.6381720 6.492914       4.588424  
1 1 1 30 4  7  o 17.41016 1.771059  3.111906       0.6036810 2.884545       0.9353147 3.274249       0.7903459 -1.162195      3.542118  
1 1 1 30 4  8  o 26.48655 1.767484  6.600221       0.8408636 5.996562       0.9734681 8.374277       1.668821  -4.256697      3.534968  
1 1 1 30 4  9  o 15.33068 3.021579  2.600213       0.9607700 2.890771       1.229589  2.144705       1.539543  2.018156       6.043159  
1 1 1 30 4  10 o 9.021792 2.805355  -0.2980350     0.9606410 -0.5839959     1.236903  0.1366453      1.524991  -2.073511      5.610710  
1 1 1 30 4  11 o 11.84753 2.953626  0.8603126      1.010274  2.606350       1.481313  -0.6581349     1.381402  6.971139       5.907252  
1 1 1 30 4  12 o 21.37532 2.688728  4.887308       1.115152  4.063727       1.472695  5.994207       1.707314  -4.609491      5.377456  
1 1 1 30 4  13 o 15.02268 3.409589  2.630255       1.189196  3.128798       1.482728  1.731316       1.991018  2.994502       6.819179  
1 1 1 30 4  14 o 10.15482 3.119259  0.2352906      1.180857  -0.1581823     1.596577  0.7104768      1.754545  -1.616810      6.238517  
1 1 1 30 4  15 o 14.49555 4.031189  2.363640       1.863890  0.2507851      2.617109  4.538414       2.655180  -5.897020      8.062378  
1 1 1 30 4  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 4  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 5  0  o 7.798823 3.347991  0.5194036      0.9970342 -0.1984370     1.496978  1.091710       1.336643  0.000000       0.000000  
1 1 1 30 5  1  o 20.52741 1.899052  4.112419       0.7652841 3.256016       0.9889523 5.390714       1.208236  -5.158129      3.798105  
1 1 1 30 5  2  o 22.25933 1.997463  5.191958       0.8513666 4.256143       1.339398  5.826383       1.102820  -3.574184      3.994927  
1 1 1 30 5  3  f 44.49369 0.9821571 19.77095       0.8671124 20.49133       1.321418  19.22618       1.149120  1.403950       1.964314  
1 1 1 30 5  4  o 25.61636 1.316282  7.103387       0.6176459 5.106060       1.016478  8.272492       0.7776784 -6.211962      2.632564  
1 1 1 30 5  5  o 15.51694 1.920513  2.604486       0.5462808 2.088181       0.9009573 2.904654       0.6869639 -2.934142      3.841026  
1 1 1 30 5  6  o 7.108974 2.175639  -0.8446678E-01 0.5271134 0.7405442E-01  0.9536638 -0.1541993     0.6325127 1.973093       4.351279  
1 1 1 30 5  7  o 17.85706 1.885788  3.552408       0.6053616 2.266636       0.9281206 4.504408       0.7986210 -6.544514      3.771577  
1 1 1 30 5  8  o 15.21696 2.884526  2.288613       0.8229532 1.988406       0.9644439 3.092551       1.578257  -3.202724      5.769052  
1 1 1 30 5  9  o 33.08926 1.681897  11.10194       1.097541  10.94694       1.433145  11.32179       1.706783  -0.4698029     3.363795  
1 1 1 30 5  10 o 10.49800 3.088564  0.4175655      1.038138  0.3607735      1.302683  0.5164047      1.718541  -1.420228      6.177127  
1 1 1 30 5  11 f 23.42311 4.046256  5.439930       1.360483  5.133904       1.449550  7.703096       3.941956  -2.478733      8.092512  
1 1 1 30 5  12 o 21.72659 2.798511  4.765395       1.149824  3.595125       1.412926  7.060055       1.978498  -7.680117      5.597022  
1 1 1 30 5  13 o 17.12998 3.479536  3.586703       1.230178  3.977623       1.441970  2.541369       2.357979  3.470778       6.959073  
1 1 1 30 5  14 f 11.56367 3.313067  1.156463       1.193292  1.386019       1.556016  0.8286840      1.859348  0.5007315      6.626133  
1 1 1 30 5  15 o 24.84003 3.230241  6.946615       1.950035  17.47846       3.092017  -0.8793881E-02 2.512761  27.45954       6.460482  
1 1 1 30 5  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 5  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 6  0  o 8.298848 3.415932  0.7045903      1.001276  -0.2462930     1.496488  1.475303       1.347274  0.000000       0.000000  
1 1 1 30 6  1  o 18.80974 2.590143  4.350873       0.8591049 5.349563       1.036272  2.155823       1.536317  8.471035       5.180285  
1 1 1 30 6  2  o 21.78275 1.689565  5.270355       0.6588763 3.475245       1.092688  6.295940       0.8259170 -6.517830      3.379129  
1 1 1 30 6  3  o 45.10831 0.9614974 20.45025       0.8623331 19.94574       1.282449  20.86662       1.165035  -1.032604      1.922995  
1 1 1 30 6  4  o 30.10020 1.087294  8.902888       0.6269091 9.743905       1.071550  8.465215       0.7730092 2.089022       2.174589  
1 1 1 30 6  5  o 8.044540 2.247533  0.1450757      0.5372491 0.8656020      0.9133806 -0.2360823     0.6643232 3.867234       4.495066  
1 1 1 30 6  6  o 7.834591 2.283632  0.1701886      0.5384458 0.4158762      0.9763019 0.6279081E-01  0.6454912 2.236352       4.567263  
1 1 1 30 6  7  o 26.78460 1.246686  7.240047       0.6621099 7.165742       1.001303  7.297781       0.8826167 -0.2733917     2.493373  
1 1 1 30 6  8  o 22.59928 2.155791  4.387516       0.8429126 3.664710       0.9478172 7.121289       1.843296  -7.250299      4.311582  
1 1 1 30 6  9  o 22.76673 1.701172  5.568752       0.6630908 5.893115       0.7748466 4.681251       1.281692  2.832689       3.402344  
1 1 1 30 6  10 o 9.733477 2.963355  0.4125733E-01  1.014640  -0.2593893E-01 1.281529  0.1541424      1.661016  -1.448964      5.926710  
1 1 1 30 6  11 o 9.581643 3.230714  -1.174119      1.165571  -1.066518      1.259151  -1.818356      3.081009  -4.358080      6.461429  
1 1 1 30 6  12 o 25.24480 2.892383  7.081674       1.398411  8.485473       1.971316  5.659681       1.984049  5.980232       5.784766  
1 1 1 30 6  13 o 11.85737 3.266290  1.189134       1.097735  1.349902       1.373990  0.9054182      1.825265  0.4190159E-01  6.532580  
1 1 1 30 6  14 o 9.958718 3.042491  0.3189850      1.121041  0.7739282      1.458257  -0.3383564     1.752875  0.9725056      6.084982  
1 1 1 30 6  15 o 13.30814 4.015572  1.841656       1.881163  1.543467       2.544624  2.201023       2.793491  -0.9921474     8.031144  
1 1 1 30 6  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 6  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 7  0  o 39.13975 1.507619  15.53534       1.170175  14.89429       1.687454  16.12916       1.624116  0.000000       0.000000  
1 1 1 30 7  1  o 52.62390 1.045769  27.89137       1.094487  29.01589       1.490108  26.57396       1.612845  2.333469       2.091538  
1 1 1 30 7  2  o 18.39618 2.642753  4.387419       0.7169125 2.173507       1.739519  4.840400       0.7868442 -7.104792      5.285506  
1 1 1 30 7  3  o 25.62645 1.317345  6.540895       0.6632715 6.915572       1.052986  6.294454       0.8539835 1.184187       2.634689  
1 1 1 30 7  4  f 39.26863 0.9482518 15.50253       0.7186502 15.31743       1.179417  15.61183       0.9063343 -0.4036865     1.896504  
1 1 1 30 7  5  o 34.29975 1.178553  12.24138       0.7068537 10.95234       1.351581  12.72668       0.8293065 -2.661903      2.357107  
1 1 1 30 7  6  o 8.412468 2.228979  0.3865165      0.5888467 -0.9497703     1.025494  1.043838       0.7192376 -3.475534      4.457958  
1 1 1 30 7  7  o 21.18393 1.507406  4.485024       0.6329097 4.947432       0.9776755 4.151444       0.8303909 1.837954       3.014813  
1 1 1 30 7  8  o 11.98097 2.678434  1.493897       0.7128811 1.587464       0.9142438 1.348768       1.138621  0.4913054      5.356868  
1 1 1 30 7  9  o 19.87833 1.860862  4.071743       0.6706642 4.125764       0.7991379 3.943064       1.233361  0.6280003      3.721724  
1 1 1 30 7  10 o 17.07838 2.998207  3.049957       1.020471  2.194398       1.309799  4.371419       1.627822  -5.719836      5.996413  
1 1 1 30 7  11 o 14.62101 4.127155  1.521255       1.516487  1.276487       1.693384  2.512594       3.407922  -4.359162      8.254310  
1 1 1 30 7  12 o 31.57707 2.174420  10.46304       1.366267  9.185595       1.909546  11.80293       1.955667  -4.108027      4.348841  
1 1 1 30 7  13 o 7.724540 2.646678  -2.270390      1.159748  -2.417917      1.426377  -1.982622      1.992139  -2.125418      5.293356  
1 1 1 30 7  14 o 16.23346 3.292448  3.381523       1.158478  3.979264       1.507449  2.519238       1.810555  3.929121       6.584896  
1 1 1 30 7  15 o 16.16996 4.096848  3.635581       1.816472  5.466308       2.549442  1.747939       2.588768  6.140471       8.193697  
1 1 1 30 7  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 7  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 8  0  o 10.17485 3.189876  1.616456       0.7572446 0.4415155      1.626413  1.941648       0.8556439 0.000000       0.000000  
1 1 1 30 8  1  o 7.354278 2.375169  -0.6989104     0.7619780 -0.7721704     0.9834831 -0.5888939     1.205209  -1.202227      4.750339  
1 1 1 30 8  2  o 40.59727 1.393243  17.11154       0.8962219 15.69958       1.982418  17.47425       1.004762  -2.319798      2.786486  
1 1 1 30 8  3  o 28.44861 1.156881  8.410079       0.6347613 6.678112       0.9685838 9.713899       0.8403811 -5.351025      2.313762  
1 1 1 30 8  4  o 9.852293 2.230527  0.7633398      0.6018933 -0.3852774     0.8929527 1.719733       0.8148149 -5.808470      4.461054  
1 1 1 30 8  5  o 30.94861 1.047527  9.594762       0.6338473 9.721159       1.011901  9.513144       0.8131378 0.3091145      2.095055  
1 1 1 30 8  6  o 47.46967 0.8840333 22.70392       0.8301343 21.94480       1.259377  23.28718       1.103902  -1.435226      1.768067  
1 1 1 30 8  7  o 11.99070 1.983410  1.266865       0.5277022 2.726464       0.8477759 0.3436404      0.6742457 8.760046       3.966819  
1 1 1 30 8  8  o 10.68196 2.656224  1.068086       0.6958594 1.082825       0.8974547 1.045866       1.101902  -0.3063622     5.312448  
1 1 1 30 8  9  o 18.66948 2.094881  3.861196       0.6989483 4.344834       0.8706351 2.984420       1.172251  4.066229       4.189762  
1 1 1 30 8  10 o 15.91189 2.724888  1.709547       0.5612185 1.436563       0.5871253 4.599666       1.910382  -8.592277      5.449775  
1 1 1 30 8  11 o 12.73814 3.367919  1.122599       1.214028  2.581669       1.862222  0.4413251E-01  1.601020  5.346588       6.735838  
1 1 1 30 8  12 o 11.27783 3.363390  0.5692088      1.253282  0.7987071      1.525066  0.9182719E-01  2.199540  -0.4693804     6.726780  
1 1 1 30 8  13 o 17.70745 3.173279  3.819342       1.147362  4.577055       1.465655  2.620019       1.843942  5.184510       6.346559  
1 1 1 30 8  14 o 13.28331 3.374983  2.110007       1.140863  2.282907       1.458721  1.837657       1.830786  0.8352079      6.749965  
1 1 1 30 8  15 o 11.59351 3.562155  -0.8293715     1.855193  3.167334       2.537522  -5.418740      2.719163  6.966806       7.124309  
1 1 1 30 8  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 8  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 9  0  o 52.73072 1.335653  28.07060       1.297901  27.76196       2.325247  28.21027       1.564261  0.000000       0.000000  
1 1 1 30 9  1  o 36.69785 1.013345  13.50493       0.7435463 13.36148       1.037304  13.65653       1.066365  -0.3988876     2.026689  
1 1 1 30 9  2  o 30.37229 1.051573  9.315027       0.6346148 8.365106       0.9163976 10.19037       0.8796889 -3.008900      2.103146  
1 1 1 30 9  3  o 18.82053 1.625256  3.499907       0.5976841 3.900826       0.9738050 3.257604       0.7570495 1.669359       3.250512  
1 1 1 30 9  4  o 19.99115 1.488810  4.011430       0.5829757 4.109184       0.9279262 3.947685       0.7493201 0.3706074      2.977620  
1 1 1 30 9  5  o 56.05033 0.8447948 31.79372       0.9286834 29.88972       1.439133  33.15235       1.215677  -2.935234      1.689590  
1 1 1 30 9  6  o 20.62246 1.335021  4.280391       0.5447036 4.354061       0.8368590 4.226238       0.7174973 0.2824497      2.670041  
1 1 1 30 9  7  o 22.46252 1.510331  5.049700       0.6183471 5.244549       1.148839  4.970230       0.7336872 0.4961605      3.020663  
1 1 1 30 9  8  o 18.45414 2.052295  3.432296       0.7145690 2.330308       0.9323903 5.000787       1.112373  -7.395811      4.104589  
1 1 1 30 9  9  o 17.90693 2.088044  3.489675       0.6855411 3.858873       0.8660678 2.870229       1.121821  3.168407       4.176088  
1 1 1 30 9  10 o 21.96113 1.537427  4.571835       0.6347215 3.986760       0.7581555 5.942811       1.160560  -4.277571      3.074854  
1 1 1 30 9  11 o 11.86786 3.381065  0.6471238      1.288846  -0.3963168     1.762970  1.845021       1.888951  -3.955577      6.762130  
1 1 1 30 9  12 o 22.39287 3.114292  5.350235       1.353150  3.787487       1.740863  7.735561       2.150771  -8.615923      6.228585  
1 1 1 30 9  13 o 16.23524 3.133647  3.303743       1.087537  4.014853       1.341549  1.940643       1.857386  5.383957       6.267295  
1 1 1 30 9  14 o 14.69522 3.300594  2.541509       1.112191  1.693028       1.463105  3.702886       1.711752  -4.807938      6.601187  
1 1 1 30 9  15 o 14.28157 3.941002  2.127644       1.923725  4.922982       2.603184  -1.235573      2.855388  7.421092       7.882004  
1 1 1 30 9  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 9  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 10 0  o 9.823456 3.165504  1.449090       0.8387048 -0.6631087E-01 1.509502  2.125825       1.008740  0.000000       0.000000  
1 1 1 30 10 1  o 11.27694 2.167868  1.336731       0.5116716 1.663670       0.7088196 0.9809992      0.7393730 2.593973       4.335735  
1 1 1 30 10 2  o 12.44165 2.213486  1.619731       0.5506648 1.838425       0.8126478 1.434061       0.7487820 1.513210       4.426972  
1 1 1 30 10 3  o 52.31923 0.7988945 27.43248       0.8353663 27.43545       1.159957  27.42929       1.204050  0.1011658E-01  1.597789  
1 1 1 30 10 4  o 46.96254 0.8596327 21.95597       0.8016843 20.87073       1.061857  23.39454       1.222556  -2.669155      1.719265  
1 1 1 30 10 5  o 17.11810 1.635202  2.714588       0.5353785 3.956047       0.9362020 2.111310       0.6526223 5.322452       3.270404  
1 1 1 30 10 6  o 27.69172 1.244913  8.046472       0.6359972 6.858826       1.095992  8.649446       0.7809325 -3.302187      2.489825  
1 1 1 30 10 7  o 28.74192 1.228050  7.974591       0.6571494 9.305690       1.205618  7.411955       0.7838241 3.192209       2.456099  
1 1 1 30 10 8  f 38.50440 1.139333  14.94340       0.8745261 14.97629       1.190546  14.90484       1.288826  0.1163559      2.278666  
1 1 1 30 10 9  o 21.64792 1.589389  4.819591       0.6776444 5.166357       0.9050620 4.377191       1.022276  1.865692       3.178778  
1 1 1 30 10 10 o 10.88270 2.387209  1.171247       0.5812966 0.7935315      0.7629608 1.693894       0.8974786 -3.257294      4.774419  
1 1 1 30 10 11 o 15.31666 3.167003  2.382160       0.9751504 1.883989       1.169947  3.515851       1.764915  -4.348005      6.334005  
1 1 1 30 10 12 o 11.37546 3.404048  0.1480460      1.295118  -0.6475523     1.591830  1.705945       2.227509  -4.841647      6.808096  
1 1 1 30 10 13 o 9.634514 2.903058  0.3063807      1.001137  0.7667394      1.290808  -0.3886039     1.585993  1.108536       5.806117  
1 1 1 30 10 14 o 12.54451 3.243009  1.783141       1.118271  2.410692       1.400682  0.6799703      1.857103  3.067439       6.486018  
1 1 1 30 10 15 o 15.35575 4.191986  3.517485       1.878753  2.558082       2.815570  4.287525       2.522448  -2.719710      8.383971  
1 1 1 30 10 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 11 0  o 29.49259 1.959834  10.13975       0.9014370 6.791943       1.787487  11.28156       1.043902  0.000000       0.000000  
1 1 1 30 11 1  o 32.28246 1.155657  10.35089       0.7167981 10.87590       1.206349  10.06438       0.8911786 1.216045       2.311314  
1 1 1 30 11 2  o 20.74737 1.290197  4.330481       0.5348661 4.104027       0.7545674 4.559166       0.7582760 -1.096292      2.580393  
1 1 1 30 11 3  f 18.18907 1.835753  3.548731       0.6022277 3.884486       0.7497858 2.938349       1.010942  2.911081       3.671506  
1 1 1 30 11 4  o 5.533849 1.855127  -0.8973626     0.5355653 -0.9712928     0.6983683 -0.7918044     0.8344875 -0.9487414     3.710253  
1 1 1 30 11 5  o 33.93828 0.9903951 11.65271       0.6648029 12.22474       0.8902864 10.93170       0.9995111 1.922287       1.980790  
1 1 1 30 11 6  f 18.19494 1.552484  3.354610       0.5597581 3.330930       0.8492899 3.372796       0.7442953 -0.1447926     3.104968  
1 1 1 30 11 7  o 7.071333 2.171995  -0.9739943E-01 0.5706519 -0.1352324     0.7918872 -0.5652900E-01 0.8230628 -0.3040776     4.343990  
1 1 1 30 11 8  o 27.95047 1.428209  8.038788       0.7766280 8.565396       1.009413  7.274834       1.215790  2.370367       2.856418  
1 1 1 30 11 9  o 10.69782 2.590764  1.117323       0.6638365 1.131489       0.8729377 1.097896       1.022260  -0.1599884     5.181528  
1 1 1 30 11 10 o 7.155874 2.246002  -0.2244745     0.6262278 -0.1091218     0.7886754 -0.4212868     1.030174  -0.4632130     4.492005  
1 1 1 30 11 11 o 7.840098 2.217518  0.2213709      0.5186407 -0.7836232E-01 0.6442550 0.7733062      0.8742476 -3.128753      4.435036  
1 1 1 30 11 12 o 9.404594 4.153156  -0.1699577     1.531557  -0.1699577     1.531557  ?              ?         ?              ?         
1 1 1 30 11 13 o 11.67015 3.294157  1.197355       1.098814  1.139575       1.322222  1.326336       1.975509  -1.342541      6.588315  
1 1 1 30 11 14 o 10.59184 3.094605  0.8337433      1.065976  1.029267       1.409873  0.5728025      1.628739  0.4028769      6.189209  
1 1 1 30 11 15 o 11.50475 3.701110  0.5052706      1.846452  0.9141523E-01  2.424599  1.076685       2.848992  -1.432956      7.402221  
1 1 1 30 11 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 12 0  o 26.81949 1.827538  7.464571       0.8269252 7.363873       1.650518  7.498317       0.9554951 0.000000       0.000000  
1 1 1 30 12 1  o 10.13014 2.304654  1.020679       0.5309973 1.096529       0.7433181 0.9416346      0.7588088 0.5303316      4.609307  
1 1 1 30 12 2  o 34.34842 1.173048  12.34525       0.7477741 10.45722       1.272627  13.34083       0.9241319 -4.247845      2.346097  
1 1 1 30 12 3  f 45.51347 0.9052991 20.56997       0.8047606 19.85620       1.024494  21.72005       1.300443  -2.015072      1.810598  
1 1 1 30 12 4  o 16.07375 1.688138  2.684183       0.5221470 2.986629       0.7112758 2.330704       0.7689461 2.268396       3.376276  
1 1 1 30 12 5  o 40.94932 0.8877681 16.77403       0.7207999 16.38354       0.9535633 17.29460       1.100987  -1.088837      1.775536  
1 1 1 30 12 6  o 20.26868 1.579066  4.160569       0.6399652 4.245863       0.9170731 4.079607       0.8934830 0.4031734      3.158132  
1 1 1 30 12 7  o 10.87388 2.486927  1.192992       0.6177073 1.049233       0.8511095 1.352995       0.8979080 -1.075499      4.973854  
1 1 1 30 12 8  o 19.70458 1.231137  3.539860       0.4611000 5.488950       0.8123163 2.613292       0.5600771 7.228752       2.462273  
1 1 1 30 12 9  o 33.89202 1.191350  11.35940       0.7318503 11.03301       0.8623397 12.19978       1.383704  -1.560646      2.382700  
1 1 1 30 12 10 o 23.81536 1.551694  5.543278       0.6574106 5.277721       0.7626624 6.311151       1.296878  -1.938368      3.103388  
1 1 1 30 12 11 o 19.57845 2.740590  4.102764       0.7306384 4.065669       0.7848522 4.343785       2.000594  0.7640057      5.481180  
1 1 1 30 12 12 o 20.33648 1.353263  4.208930       0.5361871 4.178202       0.6842040 4.257833       0.8631707 -0.1034451     2.706526  
1 1 1 30 12 13 o 19.01812 3.339409  4.439100       0.9662576 4.475478       1.033888  4.188014       2.716219  3.170694       6.678818  
1 1 1 30 12 14 o 9.140467 2.890017  0.1183199      0.9727575 0.5184613      1.075773  -1.675914      2.277997  -0.3209753     5.780034  
1 1 1 30 12 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 12 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 13 0  o 5.634895 3.618209  0.1005943      0.8954634 0.1005943      0.8954634 0.1005943      0.8954634 0.000000       0.000000  
1 1 1 30 13 1  o 16.79995 1.636922  2.870869       0.5428011 3.420142       0.7709702 2.330995       0.7643460 3.240136       3.273845  
1 1 1 30 13 2  o 38.93876 1.050253  15.03628       0.7751195 15.80828       1.343961  14.65149       0.9488246 1.431671       2.100506  
1 1 1 30 13 3  o 22.20061 1.280172  4.980793       0.5659130 5.284726       0.7813200 4.645383       0.8207812 1.446831       2.560345  
1 1 1 30 13 4  o 20.13464 1.376469  4.072762       0.5527104 3.870780       0.7479657 4.315722       0.8203390 -1.088333      2.752939  
1 1 1 30 13 5  o 10.49515 2.308354  1.122802       0.5406334 0.9235394      0.7627282 1.324002       0.7664273 -1.454891      4.616708  
1 1 1 30 13 6  f 20.06452 1.538492  4.070878       0.6159389 4.219221       0.9084839 3.944683       0.8379264 0.6620216      3.076984  
1 1 1 30 13 7  o 21.80700 1.388960  4.671388       0.5954291 6.086350       0.9285084 3.683086       0.7759941 5.465874       2.777920  
1 1 1 30 13 8  o 11.11583 2.397728  1.288919       0.5872687 1.508718       0.8220453 1.059812       0.8392690 1.554816       4.795456  
1 1 1 30 13 9  o 20.52007 1.778870  3.876897       0.6583720 3.372225       0.7604970 5.386548       1.315320  -4.628326      3.557740  
1 1 1 30 13 10 o 14.40959 2.519306  2.171100       0.6402593 2.101761       0.7311448 2.399148       1.325956  -0.6716957     5.038612  
1 1 1 30 13 11 o 10.91978 2.151471  1.403271       0.5934900 2.135662       0.7036210 -0.4025854     1.104864  6.508788       4.302943  
1 1 1 30 13 12 o 17.43402 2.908661  3.285004       0.5861202 3.277332       0.6085470 3.383373       2.179086  1.053083       5.817322  
1 1 1 30 13 13 o 19.16682 2.523235  3.889297       0.9672477 3.889297       0.9672477 ?              ?         ?              ?         
1 1 1 30 13 14 o 15.41304 4.024999  2.895752       1.254112  2.895752       1.254112  ?              ?         ?              ?         
1 1 1 30 13 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 13 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 14 0  o 5.849200 3.718314  0.1630499      0.9238759 0.1630499      0.9238759 0.1630499      0.9238759 0.000000       0.000000  
1 1 1 30 14 1  o 25.56777 1.147634  6.577599       0.5851197 7.205698       0.8318065 5.962388       0.8232288 2.430096       2.295269  
1 1 1 30 14 2  o 35.17194 0.9785557 12.44275       0.6857885 12.09001       1.006117  12.74885       0.9372441 -0.9459648     1.957111  
1 1 1 30 14 3  o 32.80531 0.9893467 10.83668       0.6474620 11.40650       0.9010936 10.22851       0.9309344 1.800148       1.978693  
1 1 1 30 14 4  o 22.26830 1.270707  4.947637       0.5629432 4.430262       0.7526097 5.604744       0.8481737 -2.614874      2.541414  
1 1 1 30 14 5  o 46.86696 0.8365791 22.03875       0.7838831 22.31788       1.126259  21.77649       1.091704  0.5721779      1.673158  
1 1 1 30 14 6  o 30.79920 1.079877  9.472831       0.6618166 10.35960       0.9993985 8.780234       0.8832300 2.536858       2.159754  
1 1 1 30 14 7  o 19.10748 1.612892  3.777310       0.6026773 4.145915       0.7999546 3.293461       0.9165154 2.270191       3.225784  
1 1 1 30 14 8  o 10.20368 2.234227  1.078101       0.5011082 1.080379       0.7401475 1.076173       0.6809017 0.8466244E-01  4.468453  
1 1 1 30 14 9  o 31.55032 1.326545  9.913964       0.7260913 9.732695       0.8360978 10.47006       1.464442  -0.9349880     2.653090  
1 1 1 30 14 10 o 12.84993 2.523683  1.512869       0.5742084 1.271798       0.6439843 2.447981       1.268335  -3.951148      5.047366  
1 1 1 30 14 11 o 11.66112 2.513142  1.451831       0.5861443 1.480440       0.6719996 1.360835       1.198464  0.4655457E-01  5.026284  
1 1 1 30 14 12 o 20.23619 1.867093  4.785363       0.6058375 5.295118       0.7116190 3.442821       1.154863  5.179129       3.734185  
1 1 1 30 14 13 o 14.34432 1.891851  2.988047       0.5173373 4.162289       0.6272723 0.4905098      0.9148149 11.64779       3.783701  
1 1 1 30 14 14 o 14.35229 4.465447  2.598875       1.416899  2.598875       1.416899  ?              ?         ?              ?         
1 1 1 30 14 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 14 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 15 0  o 11.21329 4.201423  1.830029       1.253177  1.387925       1.655053  2.424086       1.918511  0.000000       0.000000  
1 1 1 30 15 1  o 25.06725 1.153785  6.206677       0.5732582 7.345450       0.8810410 5.370613       0.7549137 3.917063       2.307571  
1 1 1 30 15 2  o 28.01843 1.182160  7.743157       0.6554852 9.427470       1.008306  6.510347       0.8626387 5.177233       2.364320  
1 1 1 30 15 3  o 39.77900 0.8933161 15.89101       0.7090504 15.92154       0.9707574 15.85610       1.038127  0.9322357E-01  1.786632  
1 1 1 30 15 4  o 15.80496 2.231346  2.520454       0.6399051 2.382077       0.7613374 2.853459       1.181052  -0.9859257     4.462692  
1 1 1 30 15 5  o 18.86948 1.592720  3.523156       0.5935153 2.993009       0.7714299 4.292168       0.9291051 -3.390574      3.185439  
1 1 1 30 15 6  o 31.96195 1.012832  10.27651       0.6473823 10.11740       0.9084685 10.44067       0.9227727 -0.5026379     2.025664  
1 1 1 30 15 7  o 21.42420 1.372883  4.666196       0.5848678 5.182098       0.8214132 4.135683       0.8329640 2.445650       2.745766  
1 1 1 30 15 8  o 28.36192 1.340936  8.390307       0.7157699 8.942600       0.8923268 7.393708       1.198668  2.835838       2.681873  
1 1 1 30 15 9  o 10.40868 2.489422  1.102286       0.6593992 1.546965       0.7789060 -0.2257763E-01 1.238829  3.145243       4.978844  
1 1 1 30 15 10 o 18.37538 2.114707  3.483270       0.6924163 3.334644       0.8215125 3.847869       1.286684  -0.7234840     4.229414  
1 1 1 30 15 11 o 8.724754 2.477359  0.4713727      0.6609542 0.7835676      0.7810060 -0.3164837     1.240695  0.9285679      4.954719  
1 1 1 30 15 12 o 13.10970 2.493455  1.904070       0.5958042 1.883134       0.6778379 1.975200       1.249423  0.6475353E-01  4.986911  
1 1 1 30 15 13 o 16.21551 2.271938  2.882236       0.5842847 2.850758       0.6532143 3.008216       1.306787  0.7376528      4.543877  
1 1 1 30 15 14 o 12.44707 4.171083  1.883558       1.224094  1.883558       1.224094  ?              ?         ?              ?         
1 1 1 30 15 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 15 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 16 0  o 20.43065 3.729760  5.160179       1.309666  5.815394       1.741708  4.307702       1.986665  0.000000       0.000000  
1 1 1 30 16 1  o 14.97348 2.379434  2.390281       0.6942035 2.455543       1.013526  2.332607       0.9527907 0.3697758      4.758868  
1 1 1 30 16 2  o 24.15363 1.356344  5.792487       0.6439642 7.524360       0.9751726 4.453259       0.8575328 6.328472       2.712687  
1 1 1 30 16 3  o 24.03122 1.345495  5.862875       0.6428175 5.298484       0.9276374 6.384263       0.8915959 -2.267921      2.690991  
1 1 1 30 16 4  o 24.86980 1.371904  6.159591       0.6631557 5.883843       0.8356857 6.628535       1.089804  -1.428310      2.743807  
1 1 1 30 16 5  o 35.88768 1.120801  12.89166       0.7697657 13.27441       1.300743  12.68537       0.9549344 0.7378044      2.241602  
1 1 1 30 16 6  o 12.45144 2.027810  1.526629       0.5454682 0.5833094      0.7282668 2.732070       0.8232543 -7.844680      4.055619  
1 1 1 30 16 7  o 34.08638 0.9895986 11.70266       0.6740310 12.23604       0.9513171 11.16498       0.9551420 1.571995       1.979197  
1 1 1 30 16 8  o 16.06357 1.730137  2.640606       0.5555708 2.578903       0.7710618 2.707226       0.8011961 -0.3845568     3.460274  
1 1 1 30 16 9  o 8.144948 2.094369  0.4100657      0.4251402 1.024201       0.7759372 0.1466135      0.5082125 3.841604       4.188739  
1 1 1 30 16 10 o 10.69413 2.760065  0.9339818      0.6530075 0.7986881      0.7332667 1.452507       1.435517  -3.088902      5.520130  
1 1 1 30 16 11 o 11.16827 2.653491  1.345783       0.7411793 1.800507       0.8627283 0.6444467E-01  1.448211  3.267086       5.306982  
1 1 1 30 16 12 o 9.556790 2.611250  0.5463815      0.6189017 0.2675716      0.7037399 1.498119       1.300220  -4.489534      5.222501  
1 1 1 30 16 13 o 11.00734 2.729700  1.086753       0.6071463 0.9010918      0.6701181 1.937658       1.434601  -3.610379      5.459401  
1 1 1 30 16 14 o 12.02621 4.322679  1.766845       1.328387  1.766845       1.328387  ?              ?         ?              ?         
1 1 1 30 16 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 17 0  o 5.903229 2.893360  -1.142664      0.8204384 0.4866767      1.736322  -1.611017      0.9309174 0.000000       0.000000  
1 1 1 30 17 1  o 14.99485 1.995201  2.300758       0.5831533 1.918307       0.7789088 2.788546       0.8796582 -3.107236      3.990402  
1 1 1 30 17 2  o 20.57327 1.715091  4.340662       0.6980034 4.908520       0.9679996 3.725596       1.007432  2.887243       3.430183  
1 1 1 30 17 3  o 51.13715 0.8511745 26.24202       0.8702793 25.66227       1.213072  26.85686       1.249247  -1.161930      1.702349  
1 1 1 30 17 4  o 34.58928 1.004670  12.03709       0.6949048 11.99298       0.9732741 12.08295       0.9924952 -0.1258774     2.009340  
1 1 1 30 17 5  o 8.747720 2.298790  0.5911239      0.5507283 0.8827521      0.7648301 0.2770921      0.7936646 1.730206       4.597579  
1 1 1 30 17 6  o 11.31561 2.380328  1.342725       0.6232460 0.5927580      0.9395721 1.932000       0.8328521 -4.231370      4.760657  
1 1 1 30 17 7  o 14.90074 2.049779  2.355751       0.5880418 2.183082       0.8134555 2.544748       0.8510513 -1.191269      4.099558  
1 1 1 30 17 8  o 39.06720 0.9294152 15.37064       0.7261413 15.51843       1.024439  15.22142       1.029417  0.3814583      1.858830  
1 1 1 30 17 9  o 10.10750 2.203128  0.9928429      0.5229338 1.624142       0.7663998 0.4428906      0.7153198 4.252744       4.406256  
1 1 1 30 17 10 o 15.80749 2.674665  2.706722       0.7488422 2.648938       0.8624281 2.883770       1.509618  -0.1603498     5.349331  
1 1 1 30 17 11 o 7.481097 2.372082  -0.2731870     0.6469164 -0.3545997     0.7541396 -0.4638638E-01 1.258716  -2.511608      4.744164  
1 1 1 30 17 12 o 10.79662 2.682830  1.007234       0.6282976 0.7311916      0.7143491 1.950394       1.320431  -4.177815      5.365660  
1 1 1 30 17 13 o 9.683456 2.708489  0.5434018      0.6440391 0.2679472      0.7184030 1.671103       1.453584  -4.786990      5.416977  
1 1 1 30 17 14 o 22.53045 3.583503  5.927174       1.614758  5.927174       1.614758  ?              ?         ?              ?         
1 1 1 30 17 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 18 0  o 6.794853 3.089625  0.1838358      0.8198185 0.3786952      1.606336  0.1152032      0.9533244 0.000000       0.000000  
1 1 1 30 18 1  o 30.38885 1.186939  9.120824       0.7108966 8.284601       0.9156891 10.38948       1.127870  -3.413834      2.373878  
1 1 1 30 18 2  o 15.80332 2.037373  2.581738       0.6286964 2.928262       0.9284768 2.288328       0.8543623 2.247915       4.074746  
1 1 1 30 18 3  o 21.89980 1.572944  5.036985       0.6642057 5.854288       0.8825470 3.969329       1.008700  4.345200       3.145888  
1 1 1 30 18 4  o 29.95229 1.176409  9.081414       0.7016044 8.535975       1.021093  9.569240       0.9656622 -1.738564      2.352818  
1 1 1 30 18 5  o 34.29007 1.132022  11.88044       0.7567643 11.98603       0.9702454 11.71643       1.209247  0.4516602      2.264044  
1 1 1 30 18 6  o 16.51257 1.967172  2.825549       0.6203710 2.773443       0.7963945 2.905960       0.9893397 -0.4043388E-01 3.934345  
1 1 1 30 18 7  o 20.05009 1.499849  4.096832       0.5999035 3.744162       0.8444469 4.456171       0.8523924 -1.772200      2.999698  
1 1 1 30 18 8  o 20.50696 1.452803  4.278490       0.5954312 4.459095       0.8418174 4.097672       0.8423166 0.8814259      2.905607  
1 1 1 30 18 9  f 23.79344 1.369431  5.849273       0.6412765 6.326890       0.8582702 5.245654       0.9648636 2.326725       2.738862  
1 1 1 30 18 10 o 10.93966 2.717512  1.200217       0.6796110 1.275954       0.7796515 0.9605970      1.386776  -0.1150675     5.435025  
1 1 1 30 18 11 o 17.15690 2.385325  3.220665       0.7073833 3.185047       0.8215585 3.322763       1.390951  0.6407146      4.770649  
1 1 1 30 18 12 o 7.138644 2.324356  -0.3111461     0.6527742 -0.1310941     0.7310821 -1.019138      1.449710  -1.362682      4.648711  
1 1 1 30 18 13 o 11.37273 3.142613  1.352174       1.039075  1.586228       1.344196  1.004665       1.637899  0.8242931      6.285226  
1 1 1 30 18 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 18 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 19 0  o 24.46447 2.567480  6.309751       1.156229  8.026018       1.786634  5.072999       1.516646  0.000000       0.000000  
1 1 1 30 19 1  o 49.90112 0.9789998 25.14941       0.9696470 25.98433       1.306660  24.12613       1.446564  1.891354       1.958000  
1 1 1 30 19 2  o 35.75040 1.057926  12.86736       0.7561373 12.39639       1.063993  13.34793       1.074768  -1.328354      2.115853  
1 1 1 30 19 3  o 30.13723 1.236013  9.147473       0.7316383 9.072015       0.9474798 9.258926       1.151485  -0.2572060     2.472027  
1 1 1 30 19 4  f 32.89276 1.227572  10.89147       0.7781904 11.02233       1.288484  10.81633       0.9763795 0.2310219      2.455143  
1 1 1 30 19 5  o 8.209020 2.319267  -0.2389996E-01 0.6315725 1.014974       0.9716812 -0.7838571     0.8310688 4.483946       4.638534  
1 1 1 30 19 6  o 15.48788 2.020671  2.644922       0.5904569 3.240792       0.7846503 1.866963       0.8965589 4.704546       4.041343  
1 1 1 30 19 7  o 20.90115 1.503561  4.454002       0.6257637 4.508589       0.8494218 4.389216       0.9253758 0.3182945      3.007122  
1 1 1 30 19 8  o 8.110267 2.260674  0.1839725      0.5907829 -0.4904735     0.8127896 0.9394164      0.8602122 -3.603048      4.521348  
1 1 1 30 19 9  o 10.38089 2.374412  1.117779       0.5721874 0.8394608      0.8367854 1.362195       0.7841656 -1.713587      4.748825  
1 1 1 30 19 10 o 22.85849 1.525985  5.347404       0.6944845 6.066721       1.004302  4.688227       0.9614013 2.990465       3.051971  
1 1 1 30 19 11 o 7.134019 2.270536  -0.2752930     0.6716350 0.1992960      0.7690355 -1.800956      1.378850  0.5024872      4.541072  
1 1 1 30 19 12 o 11.85459 3.009703  1.561740       0.7316216 1.688416       0.7670431 0.2844302      2.435683  0.7150640      6.019406  
1 1 1 30 19 13 o 10.38667 2.832663  1.103470       0.7439250 1.192984       0.8271316 0.7245067      1.701880  -0.2443094     5.665327  
1 1 1 30 19 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 19 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 20 0  o 35.38148 1.651597  12.32159       1.043970  13.84725       2.007782  11.75627       1.222176  0.000000       0.000000  
1 1 1 30 20 1  o 28.80231 1.224810  8.377534       0.7048798 8.088820       1.006428  8.655514       0.9875414 -0.9886284     2.449619  
1 1 1 30 20 2  o 21.22431 1.724888  4.581458       0.7311524 4.522405       1.004842  4.647903       1.065866  -0.2733822     3.449775  
1 1 1 30 20 3  o 24.57768 1.335592  6.100829       0.6532225 6.045330       0.8790779 6.169258       0.9761158 -0.2238674     2.671183  
1 1 1 30 20 4  o 22.27153 1.661276  5.150939       0.7203333 6.374298       1.007781  3.873064       1.029992  5.623579       3.322552  
1 1 1 30 20 5  o 37.59979 1.097383  14.29939       0.8197089 13.89791       1.222458  14.62738       1.104919  -1.002922      2.194766  
1 1 1 30 20 6  o 10.81550 2.428205  1.120452       0.6554236 1.911274       0.9067435 0.2551483      0.9484826 4.900575       4.856410  
1 1 1 30 20 7  o 11.19326 2.539446  1.301383       0.6388384 1.324968       0.8325570 1.267613       0.9962184 -0.3867149E-02 5.078892  
1 1 1 30 20 8  o 10.60429 2.222600  1.124300       0.5890362 1.997202       0.8008775 0.9569070E-01  0.8693785 5.902827       4.445200  
1 1 1 30 20 9  o 7.508633 2.214686  -0.6018154E-02 0.6011097 -0.7703280     0.8918623 0.6301935      0.8136992 -2.596908      4.429372  
1 1 1 30 20 10 o 7.169634 2.050081  -0.2277867     0.5829777 -2.082651      0.9670261 0.8312164      0.7306858 -4.050400      4.100163  
1 1 1 30 20 11 o 20.71340 1.952390  4.059654       0.7444344 3.312890       0.8696026 6.108120       1.440269  -6.005739      3.904781  
1 1 1 30 20 12 o 15.91005 2.954274  2.782206       0.7579820 2.657911       0.8206084 3.504546       1.978252  -0.3377867     5.908549  
1 1 1 30 20 13 o 8.518543 3.256115  0.6826987      0.7751254 0.6826987      0.7751254 ?              ?         ?              ?         
1 1 1 30 20 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 21 0  o 15.80823 3.585798  2.981789       0.9045127 3.801398       1.788173  2.699974       1.048549  0.000000       0.000000  
1 1 1 30 21 1  f 33.08750 1.219968  11.03887       0.8068328 10.77058       1.117722  11.33078       1.165869  -0.8336525     2.439936  
1 1 1 30 21 2  o 10.42859 2.459429  0.8391184      0.6944103 1.893951       0.9834128 -0.2098641     0.9806817 5.676287       4.918858  
1 1 1 30 21 3  o 14.35148 2.378570  2.200233       0.6804124 2.899915       0.9913030 1.576964       0.9356076 4.334143       4.757140  
1 1 1 30 21 4  o 21.32951 1.528346  4.658538       0.6471656 5.087748       0.8935426 4.184974       0.9385781 2.133644       3.056692  
1 1 1 30 21 5  o 9.912756 2.433149  0.8903587      0.6544921 1.476207       0.8223770 -0.1217810     1.080933  3.625405       4.866299  
1 1 1 30 21 6  o 22.71917 1.666613  5.448644       0.7155134 5.893105       0.9008817 4.689217       1.177590  2.776495       3.333225  
1 1 1 30 21 7  o 44.53128 1.024062  19.98262       0.9091796 20.57504       1.348071  19.48833       1.231386  1.180054       2.048124  
1 1 1 30 21 8  o 9.881414 2.485177  0.9299008      0.6158803 0.9597600      0.8205943 0.8913863      0.9319702 -0.2157402E-01 4.970353  
1 1 1 30 21 9  o 8.310146 2.341916  0.4074996      0.5913270 0.1943590      0.8254312 0.6322068      0.8475320 -1.208936      4.683832  
1 1 1 30 21 10 o 6.203257 2.015958  -0.4940445     0.5717881 -0.3156193     0.8273236 -0.6572080     0.7911500 0.7214794      4.031916  
1 1 1 30 21 11 o 8.307755 2.377050  0.2659814      0.7075434 1.003556       0.8228958 -1.825573      1.385723  2.928555       4.754101  
1 1 1 30 21 12 o 19.83284 2.691814  4.414067       0.7964752 4.304131       0.8753486 4.942957       1.919962  0.7945423      5.383629  
1 1 1 30 21 13 o 11.61352 3.360443  1.365243       1.298015  2.207230       1.759570  0.3600211      1.922582  2.749089       6.720885  
1 1 1 30 21 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 22 0  o 26.67316 2.163363  7.079304       1.017038  8.467469       1.975359  6.578594       1.186364  0.000000       0.000000  
1 1 1 30 22 1  o 11.62614 2.513565  1.103444       0.8241256 -0.8632790     1.245053  2.637088       1.099458  -7.978156      5.027130  
1 1 1 30 22 2  o 11.38462 2.443973  1.318940       0.6261110 0.8363608      0.8649704 1.850102       0.9074669 -3.427044      4.887946  
1 1 1 30 22 3  o 19.76078 1.905292  4.082843       0.7369021 4.502574       0.9825821 3.543303       1.114024  2.492010       3.810584  
1 1 1 30 22 4  o 10.89222 2.537626  1.213099       0.6401068 1.258880       0.8706521 1.159242       0.9443247 0.2175026      5.075252  
1 1 1 30 22 5  o 46.30521 0.9510437 21.67900       0.8767239 22.67353       1.201936  20.54819       1.281649  2.316494       1.902087  
1 1 1 30 22 6  o 39.97127 1.099364  16.23909       0.8566034 16.59660       1.102127  15.69360       1.361374  1.215164       2.198728  
1 1 1 30 22 7  o 14.90998 2.237205  2.157894       0.6945636 0.8260303      0.8879404 4.257485       1.114862  -10.64251      4.474411  
1 1 1 30 22 8  o 14.24357 2.798815  2.299120       0.8319637 1.962040       1.235033  2.579162       1.125701  -1.891791      5.597629  
1 1 1 30 22 9  o 14.87645 2.064305  2.363231       0.6009894 1.865102       0.8257980 2.924154       0.8763036 -3.743815      4.128609  
1 1 1 30 22 10 o 21.08242 1.517202  4.589813       0.6367240 5.026104       0.9589599 4.245812       0.8515131 1.747549       3.034405  
1 1 1 30 22 11 o 7.365025 2.378277  -0.3338694     0.7031923 -0.3198563     0.8295063 -0.3696604     1.325683  -1.694247      4.756554  
1 1 1 30 22 12 o 10.32744 2.872832  0.6106241      0.8231332 0.4986373E-02  0.9687473 2.183305       1.561077  -5.556505      5.745664  
1 1 1 30 22 13 o 9.610837 4.371656  0.000000       0.000000  ?              ?         0.2640397E-01  1.844671  ?              ?         
1 1 1 30 22 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30 23 0  o 11.09138 3.781163  1.304060       1.092190  3.437680       1.827065  0.1176684      1.362416  0.000000       0.000000  
1 1 1 30 23 1  o 6.057070 2.021740  -0.9981379     0.6403034 -1.225379      0.8821750 -0.7451369     0.9308346 -0.8437204     4.043480  
1 1 1 30 23 2  o 22.56084 1.583192  5.222240       0.7072846 4.391385       0.9998890 6.054302       1.000615  -3.685089      3.166384  
1 1 1 30 23 3  f 9.831930 2.691533  0.7005345      0.7212408 0.6273227      0.8836845 0.8466118      1.248241  -1.514074      5.383067  
1 1 1 30 23 4  o 24.86204 1.495611  6.318588       0.7401364 5.705310       1.057564  6.907325       1.036186  -2.426437      2.991223  
1 1 1 30 23 5  o 16.65330 2.141665  2.868476       0.6933253 2.442357       0.9139979 3.445978       1.064036  -3.179424      4.283330  
1 1 1 30 23 6  o 16.27435 2.231231  2.817343       0.6917816 2.549751       0.8973088 3.209442       1.086180  -1.823156      4.462463  
1 1 1 30 23 7  o 25.34125 1.867837  6.047926       0.8437867 5.396760       0.9705268 8.064113       1.707760  -4.753660      3.735673  
1 1 1 30 23 8  o 10.65417 2.556148  1.116743       0.6756093 1.601883       0.9446529 0.6087591      0.9666381 2.924538       5.112296  
1 1 1 30 23 9  o 9.443148 2.559653  0.7626088      0.6765714 0.9611373      0.9986074 0.5941535      0.9198682 1.149364       5.119307  
1 1 1 30 23 10 o 11.27600 2.629672  1.443837       0.6926513 1.218241       1.065445  1.608976       0.9115704 -1.112094      5.259344  
1 1 1 30 23 11 o 12.64548 2.936904  1.885316       0.7758951 1.907622       0.8709220 1.799505       1.708191  0.3097839      5.873809  
1 1 1 30 23 12 o 13.26682 3.088339  1.980832       0.8452544 1.637236       0.9711299 3.054507       1.716683  -3.230552      6.176678  
1 1 1 30 23 13 o 7.387459 3.568082  0.000000       0.000000  ?              ?         -1.671294      1.591433  ?              ?         
1 1 1 30 24 0  o 14.45102 4.044657  2.681449       0.9906891 3.667619       2.067604  2.387571       1.128690  0.000000       0.000000  
1 1 1 30 24 1  o 19.47812 2.269809  4.168598       0.8098413 3.484950       1.331743  4.569749       1.020137  -3.298532      4.539618  
1 1 1 30 24 2  o 9.569459 2.710010  0.5613397      0.7811639 0.7588472      0.9822865 0.2215238      1.288452  0.2808151      5.420019  
1 1 1 30 24 3  o 13.13778 2.633907  1.722143       0.7161763 1.230272       0.8974194 2.584793       1.188468  -4.389942      5.267814  
1 1 1 30 24 4  o 30.07790 1.284234  9.335069       0.7578403 10.38704       1.018674  8.031219       1.134088  3.959967       2.568467  
1 1 1 30 24 5  o 41.91151 1.041987  17.72703       0.8677707 17.42542       1.158656  18.11233       1.309583  -0.7608490     2.083973  
1 1 1 30 24 6  o 27.27623 1.476047  7.520743       0.7883268 7.209824       1.007567  8.011494       1.265843  -1.332783      2.952094  
1 1 1 30 24 7  o 13.90285 2.469711  2.093681       0.6905190 1.611259       0.9224143 2.708675       1.041472  -3.554422      4.939423  
1 1 1 30 24 8  o 11.58669 2.727914  1.162848       0.7533337 0.4994835      0.9337644 2.399583       1.274968  -5.680131      5.455828  
1 1 1 30 24 9  o 11.69193 2.671530  1.465824       0.7023965 1.130962       0.8937532 2.006720       1.135903  -2.786485      5.343060  
1 1 1 30 24 10 o 20.92390 1.687378  4.669043       0.6935583 5.579117       0.9752769 3.737905       0.9864984 4.412455       3.374756  
1 1 1 30 24 11 o 8.206614 2.688065  -0.8360042     0.9557920 -1.374988      1.152930  0.3484353      1.709116  -3.649114      5.376129  
1 1 1 30 24 12 o 10.32480 2.975465  0.7898759      0.8405357 0.4502776      0.9611905 1.893559       1.732802  -3.953750      5.950930  
1 1 1 30 24 13 o 11.69056 4.535032  0.000000       0.000000  ?              ?         1.830615       1.517728  ?              ?         
1 1 1 30 25 0  o 12.46943 4.914003  2.210638       1.172040  2.210638       1.172040  2.210638       1.172040  0.000000       0.000000  
1 1 1 30 25 1  o 15.09375 2.399679  2.425792       0.7046236 2.039019       0.9347300 2.934853       1.072365  -2.790563      4.799357  
1 1 1 30 25 2  o 29.47552 1.526294  8.729822       0.8747393 9.383573       1.435193  8.343428       1.103366  1.617130       3.052589  
1 1 1 30 25 3  o 8.883833 2.540136  -0.1704334     0.8242915 1.250682       1.149241  -1.676108      1.182938  4.908666       5.080273  
1 1 1 30 25 4  o 9.936279 2.615962  0.8010348      0.6844839 0.5414783      0.8695486 1.223874       1.109853  -2.404071      5.231923  
1 1 1 30 25 5  o 8.316574 2.414063  0.2971338      0.6539924 0.6014119      0.8313127 -0.1969971     1.059376  0.9610600      4.828125  
1 1 1 30 25 6  o 28.17641 1.380229  8.242200       0.7645625 9.321018       1.041326  6.980444       1.126160  4.199902       2.760458  
1 1 1 30 25 7  o 7.339666 2.377246  -0.8345292     0.7987333 -0.5468489E-01 1.191051  -1.471864      1.076738  2.340917       4.754491  
1 1 1 30 25 8  o 13.91043 2.491857  2.193754       0.6930555 1.966427       0.9329288 2.473710       1.035303  -1.574245      4.983715  
1 1 1 30 25 9  o 14.83574 2.408287  2.499284       0.7065604 1.868198       0.9615353 3.240028       1.041730  -4.305413      4.816574  
1 1 1 30 25 10 o 21.31983 1.776588  4.924005       0.7446666 5.688738       1.029989  4.086505       1.077878  3.822741       3.553177  
1 1 1 30 25 11 o 11.60318 2.903735  1.645900       0.8005964 1.809350       0.8970340 1.005983       1.774916  1.365258       5.807470  
1 1 1 30 25 12 o 9.951194 2.977152  0.6796130      0.9766135 0.3564379      1.206832  1.292811       1.662373  -2.389231      5.954304  
1 1 1 30 25 13 f 20.64718 4.388764  0.000000       0.000000  ?              ?         5.853082       1.757858  ?              ?         
1 1 1 30 26 0  o 8.598818 3.509950  1.015117       1.010538  -0.2506342     1.966573  1.469253       1.177954  0.000000       0.000000  
1 1 1 30 26 1  o 14.88493 2.499660  2.439193       0.7337613 2.454932       1.054923  2.424443       1.021285  0.6977463E-01  4.999320  
1 1 1 30 26 2  o 27.66596 1.441368  7.640050       0.7760262 5.488054       1.022949  10.55753       1.191070  -9.073013      2.882737  
1 1 1 30 26 3  o 23.20859 2.127480  4.778515       0.8196827 4.185684       0.9092761 7.349863       1.893699  -6.034569      4.254960  
1 1 1 30 26 4  o 24.82739 1.565364  6.304034       0.7713236 6.202856       1.025821  6.435645       1.169971  -0.3872604     3.130728  
1 1 1 30 26 5  o 22.54580 1.857463  5.524343       0.7769784 6.074805       0.9689495 4.532865       1.300406  3.657139       3.714926  
1 1 1 30 26 6  o 9.236439 2.571977  0.5815984      0.7120369 0.8890738      0.9426637 0.1731041      1.086537  1.291850       5.143955  
1 1 1 30 26 7  o 29.53239 1.411672  9.053646       0.8224573 9.345243       1.089179  8.666793       1.254530  1.281910       2.823344  
1 1 1 30 26 8  o 29.74684 1.474336  9.206405       0.8737875 10.29832       1.256764  8.184678       1.215703  3.512314       2.948671  
1 1 1 30 26 9  o 7.542274 2.398906  -0.2163413     0.7401516 0.1065390      0.8878051 -0.9522035     1.340279  0.2659035E-01  4.797813  
1 1 1 30 26 10 o 11.97262 2.716190  1.729116       0.7473276 1.977500       0.9671640 1.361064       1.177318  1.837102       5.432380  
1 1 1 30 26 11 o 6.507684 3.122434  -1.242754      1.169460  -1.242754      1.169460  ?              ?         ?              ?         
1 1 1 30 26 12 o 9.685796 4.317336  0.4001915      1.702134  0.4001915      1.702134  ?              ?         ?              ?         
1 1 1 30 27 0  o 7.379790 3.371151  0.2556427      1.017782  0.4499848      1.898456  0.1772566      1.205693  0.000000       0.000000  
1 1 1 30 27 1  o 24.87582 1.667880  6.326217       0.8261907 6.762456       1.240440  5.978392       1.107628  1.495831       3.335759  
1 1 1 30 27 2  f 14.63158 2.899482  2.178135       0.8864265 3.466643       1.462256  1.429528       1.114569  5.779019       5.798965  
1 1 1 30 27 3  o 9.005882 2.607583  0.3994931      0.7274914 0.3029393      0.9184113 0.5621114      1.191893  -1.409310      5.215167  
1 1 1 30 27 4  o 13.73003 2.572105  2.070050       0.7115093 2.318063       1.095992  1.889382       0.9354277 1.327703       5.144209  
1 1 1 30 27 5  o 14.41728 2.596599  2.229009       0.7555061 1.645093       0.9896581 3.044638       1.169650  -4.311299      5.193198  
1 1 1 30 27 6  o 28.81208 1.515927  8.616112       0.8716382 9.171337       1.225837  8.048309       1.239645  1.960501       3.031854  
1 1 1 30 27 7  o 8.082349 2.488387  0.8687994E-02  0.7485899 -0.1878244     0.9871700 0.2746099      1.148349  -1.365667      4.976774  
1 1 1 30 27 8  o 10.41164 2.654109  1.135395       0.7130055 1.323619       0.9388245 0.8788664      1.096010  1.013089       5.308219  
1 1 1 30 27 9  o 17.39833 2.178896  3.434612       0.7271275 4.221694       1.021263  2.625415       1.035511  4.871421       4.357793  
1 1 1 30 27 10 f 15.67448 2.821261  3.447984       0.8861680 3.902069       1.006788  1.886244       1.867128  6.446685       5.642522  
1 1 1 30 27 11 o 11.45598 3.110574  1.554104       0.9794555 1.581939       1.208558  1.500837       1.671906  -0.9469604E-01 6.221148  
1 1 1 30 27 12 o 10.12640 3.136653  0.6733858      1.252576  -0.4243937     1.713505  1.933200       1.835613  -3.213867      6.273307  
1 1 1 30 28 0  o 38.81664 1.907882  15.31791       1.273726  16.13330       2.547697  15.04619       1.470725  0.000000       0.000000  
1 1 1 30 28 1  o 18.41559 2.130750  3.681434       0.7487627 4.193092       1.015509  3.071890       1.108399  3.402683       4.261500  
1 1 1 30 28 2  o 11.70960 2.685401  1.463012       0.7244102 1.233771       1.026028  1.690867       1.022921  -1.394520      5.370802  
1 1 1 30 28 3  o 16.89396 2.444376  3.248304       0.8004535 4.056742       1.066260  2.204365       1.211650  5.724214       4.888752  
1 1 1 30 28 4  o 31.07528 1.407520  10.01318       0.8583446 10.72925       1.137245  9.065290       1.308445  2.776505       2.815039  
1 1 1 30 28 5  o 16.35868 2.912919  2.948927       0.9248354 3.999805       1.568941  2.389342       1.144890  4.011212       5.825838  
1 1 1 30 28 6  o 31.83466 1.537978  10.65999       0.9666811 11.40309       1.300332  9.741949       1.445321  2.747686       3.075956  
1 1 1 30 28 7  o 13.45893 2.864332  2.156981       0.8354765 2.000667       1.204082  2.302115       1.160223  -0.9181480     5.728664  
1 1 1 30 28 8  o 7.185898 2.302451  -0.4044279     0.7316186 0.3317373E-01  0.9967284 -0.9156288     1.077291  1.129163       4.604901  
1 1 1 30 28 9  o 10.22502 2.730778  1.097177       0.7735560 1.321045       1.032161  0.8103026      1.168412  1.087222       5.461556  
1 1 1 30 28 10 o 10.86094 3.042983  1.279231       0.9340963 1.394842       1.085568  0.9494901      1.833341  0.6271076E-01  6.085965  
1 1 1 30 28 11 o 12.67931 3.492715  2.224593       1.274493  2.332398       1.852516  2.127711       1.756152  0.3726072      6.985429  
1 1 1 30 29 0  o 23.64708 2.815236  5.454762       1.136036  8.200927       2.201587  4.458211       1.326240  0.000000       0.000000  
1 1 1 30 29 1  o 23.56422 1.929299  5.668307       0.8986036 6.526078       1.408692  5.079790       1.166836  2.887615       3.858598  
1 1 1 30 29 2  o 11.02425 2.644052  1.021163       0.7737205 0.4830649E-01  1.055592  2.150642       1.137393  -5.607662      5.288103  
1 1 1 30 29 3  o 7.283054 2.385711  -0.7164939     0.8086472 -0.3690811     0.9965516 -1.386228      1.383656  -0.1433377     4.771421  
1 1 1 30 29 4  o 28.71246 1.734333  9.061901       0.9306476 10.15616       1.177913  7.244121       1.518183  5.402563       3.468666  
1 1 1 30 29 5  o 28.90231 1.734291  8.914650       0.9492944 9.183031       1.181361  8.425515       1.594852  1.757263       3.468583  
1 1 1 30 29 6  o 23.38948 1.942558  5.806416       0.9042521 6.578152       1.356777  5.189680       1.212896  2.780148       3.885116  
1 1 1 30 29 7  o 13.46089 2.868321  2.120080       0.8505680 2.866010       1.281743  1.533117       1.136993  3.771659       5.736641  
1 1 1 30 29 8  o 10.84661 2.671829  1.003656       0.7766418 0.7253862E-01  1.007726  2.365704       1.218811  -6.024086      5.343659  
1 1 1 30 29 9  o 20.28302 2.287301  5.054281       0.8307440 6.713323       1.115057  2.984631       1.245423  9.662259       4.574602  
1 1 1 30 29 10 o 16.92032 3.204159  3.905946       1.100112  4.161881       1.368698  3.438820       1.849096  2.948218       6.408319  
1 1 1 30 29 11 o 10.40712 3.240700  0.9406585      1.327828  1.664828       1.924059  0.2821301      1.834786  1.855252       6.481400  
1 1 1 30 30 0  o 28.14260 2.874571  8.805684       1.282187  8.798412       2.520778  8.808223       1.489227  0.000000       0.000000  
1 1 1 30 30 1  o 13.66966 2.802864  2.079533       0.8126464 1.566741       1.058698  2.815000       1.267896  -3.659142      5.605728  
1 1 1 30 30 2  o 12.09668 2.849768  1.665357       0.8344404 2.073560       1.079937  1.060583       1.314489  2.564541       5.699535  
1 1 1 30 30 3  o 6.812898 2.250681  -0.8697448     0.7543408 -1.160252      1.005698  -0.4960819     1.140587  -1.366079      4.501363  
1 1 1 30 30 4  o 18.79211 2.390541  4.003670       0.8666447 3.234531       1.238745  4.741055       1.212905  -4.343830      4.781082  
1 1 1 30 30 5  o 10.95830 2.827673  1.279158       0.7998408 1.435715       0.9991770 0.9998646      1.334551  0.6797295      5.655346  
1 1 1 30 30 6  o 8.786858 2.671513  0.1188848      0.8724537 -0.4714482     1.211707  0.7544010      1.257223  -2.193217      5.343025  
1 1 1 30 30 7  o 9.970652 2.589357  0.9107159      0.7397138 1.670709       1.018048  0.6073249E-01  1.076636  3.851794       5.178713  
1 1 1 30 30 8  o 8.088644 2.571896  -0.1468725     0.8644963 -0.2886794     1.145214  0.4098191E-01  1.318100  -0.9786711     5.143793  
1 1 1 30 30 9  o 10.28814 2.887147  1.086843       0.9109967 0.4647806      1.466618  1.477636       1.162448  -1.634533      5.774295  
1 1 1 30 30 10 f 9.299887 2.831592  0.2305948      1.099349  1.551322       1.375940  -2.100834      1.828117  3.591399       5.663184  
1 1 1 30 31 0  o 8.569632 3.787767  0.8785183      1.292327  0.7238776      1.988003  0.9916915      1.700697  0.000000       0.000000  
1 1 1 30 31 1  o 18.19040 2.541034  3.817884       0.8867270 4.095986       1.153450  3.416041       1.386515  2.559826       5.082067  
1 1 1 30 31 2  o 16.17514 2.648813  3.059175       0.8397337 3.077558       1.156140  3.038648       1.221695  0.2288284      5.297626  
1 1 1 30 31 3  o 7.757939 2.464672  -0.4550889     0.8376220 -1.388490      1.250684  0.3041087      1.127953  -1.941251      4.929344  
1 1 1 30 31 4  o 19.93653 2.135222  4.448984       0.8054193 4.949409       1.068792  3.791336       1.225238  3.395258       4.270444  
1 1 1 30 31 5  o 11.35335 2.731633  1.474060       0.7475237 1.684061       1.039167  1.248859       1.076118  1.240114       5.463266  
1 1 1 30 31 6  o 10.57971 2.715656  1.073536       0.7779138 0.3979257      1.049502  1.897314       1.158885  -3.939969      5.431311  
1 1 1 30 31 7  o 7.536346 2.450531  -0.5197242     0.8057079 -0.8100101     0.9958444 0.3041009E-01  1.370922  -2.327796      4.901061  
1 1 1 30 31 8  o 7.725452 2.485664  -0.4239070     0.8252620 -0.9048896     1.053921  0.3384460      1.326848  -2.558388      4.971329  
1 1 1 30 31 9  o 18.80338 2.484119  3.930082       0.8904600 5.619392       1.501253  3.013154       1.106030  6.193322       4.968238  
1 1 1 30 31 10 o 11.40708 3.379415  1.695280       1.307627  1.260268       1.840546  2.138633       1.858107  -1.359918      6.758831  
1 1 1 30 32 0  o 15.84884 4.305589  4.030508       1.381877  2.997081       2.206826  4.697089       1.772373  0.000000       0.000000  
1 1 1 30 32 1  o 9.494309 2.702111  0.6651965      0.7848265 0.8993519      1.165455  0.4709054      1.061622  1.189199       5.404221  
1 1 1 30 32 2  o 10.07301 2.771983  0.7862438      0.8564601 -0.3354153E-01 1.244793  1.523184       1.180220  -3.167693      5.543966  
1 1 1 30 32 3  o 17.24664 2.873187  3.640975       0.9521867 3.316392       1.583004  3.824992       1.191920  -2.132721      5.746374  
1 1 1 30 32 4  o 8.373943 2.430503  0.1010607      0.7396068 1.123526       1.011491  -1.073719      1.084216  3.829489       4.861006  
1 1 1 30 32 5  o 11.33791 2.846483  1.433504       0.8469222 0.7808089      1.234656  2.013561       1.163929  -3.047541      5.692966  
1 1 1 30 32 6  o 11.66117 2.758210  1.575896       0.7615483 1.139054       1.004885  2.165302       1.167243  -2.955457      5.516420  
1 1 1 30 32 7  o 7.512126 2.417496  -0.2707726     0.7895846 0.2975463E-01  0.9769336 -0.8368968     1.340846  0.8330631E-01  4.834993  
1 1 1 30 32 8  o 15.69304 2.610905  3.079379       0.8596789 4.172045       1.188534  1.880485       1.244968  6.986920       5.221811  
1 1 1 30 32 9  o 7.314504 3.490880  -0.9620316     1.413128  -0.9620316     1.413128  ?              ?         ?              ?         
1 1 1 30 33 0  f 6.073977 3.035130  -0.9729338     1.155496  -1.542429      2.417000  -0.8042134     1.315574  0.000000       0.000000  
1 1 1 30 33 1  o 14.73569 2.963286  2.851019       0.9541578 1.780070       1.644506  3.394508       1.171511  -4.631887      5.926573  
1 1 1 30 33 2  o 20.93874 2.039144  4.764254       0.8509865 4.525198       1.147293  5.056633       1.268815  -1.075560      4.078289  
1 1 1 30 33 3  o 12.23346 2.931712  1.727216       0.8804420 1.125701       1.211339  2.400872       1.281922  -3.374948      5.863424  
1 1 1 30 33 4  o 8.691870 2.560407  0.4558520      0.7466308 0.7320525      0.9932906 0.9708846E-01  1.132057  0.9440985      5.120815  
1 1 1 30 33 5  o 9.538002 2.716593  0.8093667      0.7944536 0.8923312      1.068201  0.7066722      1.188448  0.1846371      5.433185  
1 1 1 30 33 6  o 11.37764 2.884329  1.538280       0.8145760 1.441781       1.026985  1.701972       1.337568  -0.7683687     5.768657  
1 1 1 30 33 7  o 14.44995 2.748590  2.546557       0.7970768 2.255720       1.018496  3.006203       1.280399  -1.801187      5.497180  
1 1 1 30 33 8  o 12.80826 2.809207  2.193844       1.028674  3.825954       1.330858  -0.2283402     1.621289  8.470718       5.618414  
1 1 1 30 34 0  o 6.144551 4.096887  -0.6018345E-01 1.310578  -0.6018345E-01 1.310578  -0.6018345E-01 1.310578  0.000000       0.000000  
1 1 1 30 34 1  o 10.17375 2.807387  1.023225       0.8249999 1.011232       1.158012  1.035585       1.175640  -0.8316612E-01 5.614773  
1 1 1 30 34 2  o 8.973225 2.765102  0.2191697      0.9349682 -0.1292233     1.269288  0.6324444      1.382436  -1.498904      5.530203  
1 1 1 30 34 3  o 19.46686 2.176844  4.251867       0.8469122 4.079648       1.171759  4.440238       1.225475  -0.8183231     4.353688  
1 1 1 30 34 4  o 9.287004 2.777469  0.5257766      0.8885750 0.8341560      1.312626  0.2649236      1.207247  1.270457       5.554939  
1 1 1 30 34 5  o 11.68531 2.812235  1.714702       0.8172542 2.113837       1.051144  1.104668       1.299509  2.657252       5.624471  
1 1 1 30 34 6  o 8.403236 2.495747  -0.2397903E-01 0.8359863 1.199018       1.082550  -1.830839      1.315823  3.909569       4.991495  
1 1 1 30 34 7  o 8.722976 2.664853  0.4861085      0.8466331 0.4345607      1.138577  0.5498606      1.266206  -0.4532986     5.329707  
1 1 1 30 35 0  o 8.478632 3.898142  0.2228006      1.234123  2.407544       2.639082  -0.3886808     1.396189  0.000000       0.000000  
1 1 1 30 35 1  o 9.957103 2.838462  0.8689713      0.8567078 0.5958818      1.108916  1.273277       1.349278  -1.816727      5.676924  
1 1 1 30 35 2  o 12.12848 2.623720  1.502124       0.8732501 3.313097       1.240209  -0.2785237     1.229782  8.545937       5.247439  
1 1 1 30 35 3  o 12.26480 3.012432  1.886504       0.9370443 2.508458       1.307527  1.229789       1.343569  3.166783       6.024864  
1 1 1 30 35 4  o 8.262704 2.639410  -0.5612428E-01 0.8720373 -0.2853758     1.604272  0.4002085E-01  1.038928  1.026193       5.278821  
1 1 1 30 35 5  o 9.415390 2.857431  0.3565410      0.9055002 -0.1100860     1.090908  1.390179       1.623632  -3.575771      5.714862  
1 1 1 30 35 6  o 6.568003 2.243554  -1.315762      0.8922403 -0.9213564     1.188339  -1.825429      1.350865  0.3157268      4.487108  
1 1 1 30 36 0  o 6.134612 3.015563  -0.4991689     1.111076  -2.979330      2.621555  0.4387883E-01  1.226699  0.000000       0.000000  
1 1 1 30 36 1  o 8.970893 2.755607  -0.1476726     0.8449083 1.571090       1.618098  -0.7919661     0.9906920 5.254154       5.511214  
1 1 1 30 36 2  o 11.79078 2.919181  1.729015       0.8575698 1.952249       1.146082  1.445018       1.292683  1.320457       5.838363  
1 1 1 30 36 3  o 9.276936 2.722916  0.5086788      0.8453138 -0.8653264E-01 1.111962  1.323603       1.301106  -3.071243      5.445832  
1 1 1 30 36 4  f 8.814785 2.856527  -0.1676961     1.164187  0.5250338      1.535925  -1.103081      1.784774  1.301571       5.713053  
1 1 1 30 36 5  o 8.777138 2.721313  0.1861872E-01  0.9581666 -1.051705      1.271945  1.422879       1.456916  -3.876866      5.442626  
1 1 1 30 37 0  o 10.64239 4.223901  1.685328       1.103808  3.747060       2.469160  1.170401       1.233974  0.000000       0.000000  
1 1 1 30 37 1  o 15.78240 2.861765  3.163769       0.8863251 3.933414       1.458810  2.713424       1.115901  2.551584       5.723529  
1 1 1 30 37 2  o 9.554714 2.693640  0.3993629      0.9328456 -1.410887      1.331189  2.146058       1.307613  -5.723335      5.387279  
1 1 1 30 37 3  o 9.207756 2.734402  0.7484946      0.8681114 1.078564       1.132384  0.2779860      1.351994  1.120886       5.468804  
1 1 1 30 37 4  o 13.25336 3.286628  2.579793       1.059839  2.518759       1.334525  2.684032       1.744030  0.1485558      6.573255  
1 1 1 30 38 0  o 11.33727 3.732088  2.527168       1.159027  0.7372146      2.212832  3.203873       1.360589  0.000000       0.000000  
1 1 1 30 38 1  o 13.31622 3.076661  2.447452       0.9171045 2.843674       1.521352  2.221275       1.149433  1.034594       6.153322  
1 1 1 31 0  1  o 20.74750 4.945650  4.735945       1.334509  4.453001       1.420711  6.857583       3.890377  0.000000       0.000000  
1 1 1 31 0  2  o 15.75171 4.116709  3.323474       1.162796  3.210386       1.439942  3.535449       1.971418  0.000000       0.000000  
1 1 1 31 0  3  o 23.93775 2.269371  5.849371       1.040084  5.035897       1.339494  7.084505       1.650539  0.000000       0.000000  
1 1 1 31 0  4  o 28.88205 2.462315  8.525957       1.313628  9.592021       2.307743  8.014960       1.597736  0.000000       0.000000  
1 1 1 31 0  5  o 9.238747 3.571864  1.249417       0.9261535 1.321727       1.203926  1.144589       1.449573  0.000000       0.000000  
1 1 1 31 0  6  o 7.933686 3.703571  0.3144180      1.081941  0.5853304      1.144197  -1.973860      3.325375  0.000000       0.000000  
1 1 1 31 0  7  o 33.04422 1.656237  11.10802       0.7445459 11.08651       0.8025468 11.24087       1.994741  0.000000       0.000000  
1 1 1 31 0  8  o 6.878216 3.368573  -1.280334      1.460671  -1.007134      2.303049  -1.464183      1.889268  0.000000       0.000000  
1 1 1 31 0  9  o 16.75317 4.401129  4.140718       1.437523  3.085703       2.399314  4.731509       1.795457  0.000000       0.000000  
1 1 1 31 0  10 o 12.31379 3.850017  1.861169       1.412938  -1.106199      2.127525  4.202713       1.889906  0.000000       0.000000  
1 1 1 31 0  11 o 17.18430 4.524730  4.207152       1.418687  4.200230       2.367946  4.211028       1.771901  0.000000       0.000000  
1 1 1 31 0  12 o 17.51863 6.559880  4.451874       2.135850  4.451874       2.135850  4.451874       2.135850  0.000000       0.000000  
1 1 1 31 0  13 o 15.10480 5.326449  4.014563       1.880407  4.369013       3.267620  3.839065       2.299277  0.000000       0.000000  
1 1 1 31 0  14 o 8.453275 4.002222  0.5219986E-01  1.790983  -0.3590181     2.802001  0.3362537      2.328802  0.000000       0.000000  
1 1 1 31 0  15 o 17.98140 7.745973  5.833552       2.841388  5.833552       2.841388  5.833552       2.841388  0.000000       0.000000  
1 1 1 31 0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 1  0  o 8.165385 3.471221  0.6366271      0.9874535 1.189386       1.577103  0.2802068      1.266408  0.000000       0.000000  
1 1 1 31 1  1  o 31.61012 1.634021  10.01914       1.029497  11.25200       1.513916  8.958600       1.404133  3.608446       3.268041  
1 1 1 31 1  2  o 10.92783 2.804765  1.009765       0.8008975 1.279280       1.092594  0.6967663      1.177440  1.316550       5.609529  
1 1 1 31 1  3  o 22.01544 1.671955  4.910257       0.7309746 4.219316       1.028469  5.615585       1.039122  -3.168980      3.343910  
1 1 1 31 1  4  o 12.00000 2.595108  1.531165       0.7197183 0.6064429      1.215857  2.029960       0.8929731 -3.681568      5.190217  
1 1 1 31 1  5  o 24.07063 1.487942  5.851602       0.7155322 5.654804       1.024089  6.039312       1.000166  -0.8037663     2.975884  
1 1 1 31 1  6  o 24.07368 1.256863  5.836011       0.5772095 5.865603       0.9763578 5.820113       0.7156657 0.3517723E-01  2.513727  
1 1 1 31 1  7  o 27.76613 1.148391  7.575817       0.5958365 8.300385       1.072021  7.251925       0.7167425 1.807631       2.296782  
1 1 1 31 1  8  o 21.18184 2.572465  4.739727       1.027535  2.868705       1.387241  7.014025       1.529454  -9.942553      5.144929  
1 1 1 31 1  9  f 26.70350 1.943444  7.283216       1.036041  7.885376       1.514333  6.753348       1.420527  2.077103       3.886887  
1 1 1 31 1  10 o 17.57675 2.958631  3.414495       1.028615  2.933995       1.417515  3.948912       1.494932  -2.689178      5.917262  
1 1 1 31 1  11 o 10.29221 3.066089  0.1368443      1.073978  -0.4899817     1.379093  1.102816       1.711994  -3.511014      6.132178  
1 1 1 31 1  12 o 23.93887 3.342776  6.525658       1.538593  5.688532       2.060781  7.580005       2.312749  -3.597591      6.685552  
1 1 1 31 1  13 f 10.58422 3.153479  0.4791647      1.170940  1.228235       1.640389  -0.2990356     1.671981  2.324236       6.306957  
1 1 1 31 1  14 o 15.28687 3.522650  2.936032       1.248200  2.408143       1.721504  3.521168       1.812447  -2.535360      7.045300  
1 1 1 31 1  15 o 12.98289 3.986478  1.592772       1.948334  0.4790190      2.674184  2.852826       2.844407  -2.769549      7.972957  
1 1 1 31 1  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 2  0  o 10.55981 3.458750  1.511538       1.006612  -0.1528225E-01 1.532235  2.670852       1.335156  0.000000       0.000000  
1 1 1 31 2  1  o 21.03867 2.633242  4.386531       1.063501  5.778262       1.727525  3.537187       1.349549  5.523666       5.266483  
1 1 1 31 2  2  o 17.14618 2.243635  3.022308       0.7274125 2.968593       0.9155028 3.114283       1.197981  -0.2590752E-01 4.487270  
1 1 1 31 2  3  o 13.36217 2.586174  1.918425       0.7277401 2.360327       0.9705875 1.350980       1.099850  3.142759       5.172348  
1 1 1 31 2  4  o 12.71740 2.667008  1.716329       0.7414785 1.211778       1.166717  2.058189       0.9603654 -2.410081      5.334015  
1 1 1 31 2  5  o 23.98888 1.239785  5.525172       0.5551558 6.529701       1.015918  5.097492       0.6628830 2.922039       2.479570  
1 1 1 31 2  6  o 14.30480 2.027635  2.082626       0.5371453 2.432447       0.9256088 1.904999       0.6595663 1.652423       4.055271  
1 1 1 31 2  7  o 38.12266 1.101969  14.93865       0.7661414 13.87484       1.382447  15.41021       0.9204130 -2.112881      2.203939  
1 1 1 31 2  8  o 17.11018 2.242294  2.482156       0.4520733 2.349703       0.4725340 3.913032       1.553114  -3.671470      4.484587  
1 1 1 31 2  9  o 14.10459 2.995800  2.010573       1.026949  3.397406       1.425968  0.5162480      1.480200  7.022472       5.991600  
1 1 1 31 2  10 o 14.90377 3.219336  2.451329       1.045866  2.546817       1.403827  2.332217       1.567891  0.5180140      6.438672  
1 1 1 31 2  11 o 10.36034 3.044134  0.3283569      1.098641  1.131931       1.434196  -0.8128549     1.709144  2.374744       6.088269  
1 1 1 31 2  12 o 18.49083 3.293420  3.665895       1.173439  2.911197       1.434845  5.190032       2.039063  -5.095620      6.586839  
1 1 1 31 2  13 o 11.51343 3.263237  1.017689       1.156846  0.4189832      1.556444  1.756691       1.729216  -2.723580      6.526475  
1 1 1 31 2  14 o 11.24235 3.341849  0.8234168      1.287218  0.2772509      1.783279  1.417553       1.859944  -1.876067      6.683697  
1 1 1 31 2  15 o 11.79917 3.747677  0.7723907      1.846546  0.4883230      2.581181  1.070167       2.642728  -0.6633339     7.495353  
1 1 1 31 2  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 3  0  o 29.02087 1.898603  8.780231       1.069890  7.763274       1.572968  9.655761       1.459501  0.000000       0.000000  
1 1 1 31 3  1  o 16.50149 3.165567  2.843281       1.062970  3.349066       1.643602  2.479628       1.393661  2.369472       6.331134  
1 1 1 31 3  2  o 41.87099 1.234272  17.59151       1.032106  16.30473       1.432332  18.98124       1.488526  -3.188255      2.468545  
1 1 1 31 3  3  o 36.49637 1.194579  13.42946       0.8646030 13.74385       1.158079  13.03355       1.299586  0.9939842      2.389159  
1 1 1 31 3  4  o 23.08893 1.599372  5.472364       0.7196806 6.860856       1.016736  4.078146       1.018831  6.026497       3.198744  
1 1 1 31 3  5  o 20.83707 1.429547  4.588193       0.5414967 3.850058       0.9531296 4.939984       0.6580008 -2.675390      2.859094  
1 1 1 31 3  6  o 22.99561 1.352942  5.561921       0.5893663 4.526199       0.9482144 6.213948       0.7523460 -3.716742      2.705884  
1 1 1 31 3  7  o 30.47518 1.065865  9.309006       0.6250240 9.492998       1.040887  9.205254       0.7816263 0.4159775      2.131729  
1 1 1 31 3  8  o 16.70806 2.842891  3.036910       0.9397727 3.084723       1.321158  2.987939       1.337063  0.2855930      5.685781  
1 1 1 31 3  9  o 19.79482 2.622597  4.243753       0.9898314 4.559838       1.286876  3.785824       1.548936  2.462643       5.245194  
1 1 1 31 3  10 o 24.87453 2.387947  7.052570       1.050572  9.519926       1.422535  4.092232       1.558180  11.28756       4.775894  
1 1 1 31 3  11 o 18.66075 3.139816  3.767179       1.167742  2.559267       1.514736  5.536762       1.833389  -7.184166      6.279633  
1 1 1 31 3  12 o 18.59077 3.460559  3.834850       1.269765  3.126683       1.580488  5.124063       2.132483  -4.323093      6.921118  
1 1 1 31 3  13 o 13.11092 3.424003  1.857147       1.196078  1.396132       1.632559  2.391333       1.757346  -2.177716      6.848005  
1 1 1 31 3  14 o 17.06451 3.283870  3.655318       1.173955  4.415162       1.637376  2.851534       1.684053  4.019212       6.567740  
1 1 1 31 3  15 o 12.19811 3.788429  0.8391001      1.901932  -1.365538      2.770472  2.804259       2.615675  -3.993407      7.576858  
1 1 1 31 3  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 4  0  o 12.10046 3.875396  2.166633       1.000376  2.102935       1.565621  2.210583       1.300479  0.000000       0.000000  
1 1 1 31 4  1  o 12.67858 3.073838  1.566641       0.9353186 0.7864006      1.691418  1.910320       1.122568  -1.670192      6.147676  
1 1 1 31 4  2  o 33.45760 1.398615  11.27387       0.9334921 11.15667       1.366012  11.37656       1.278631  -0.3428574     2.797229  
1 1 1 31 4  3  o 48.69889 0.9845918 23.73957       0.9569153 22.96057       1.303345  24.65055       1.409438  -1.721935      1.969184  
1 1 1 31 4  4  o 26.81149 1.189171  7.065533       0.6089853 7.760955       1.048280  6.711278       0.7481870 1.910925       2.378342  
1 1 1 31 4  5  f 17.83249 1.666115  3.256220       0.5551446 3.110981       0.9656597 3.327916       0.6784673 -0.6810875     3.332230  
1 1 1 31 4  6  o 23.40345 1.667631  5.715587       0.6731351 5.234192       1.319931  5.884794       0.7825446 -1.546412      3.335263  
1 1 1 31 4  7  o 11.26620 2.494013  1.182245       0.5720667 1.692188       1.098962  0.9927023      0.6700006 2.850946       4.988026  
1 1 1 31 4  8  o 23.62484 1.763498  5.923081       0.7564260 6.315457       0.9161173 5.082505       1.340875  2.761143       3.526995  
1 1 1 31 4  9  o 30.45419 1.862674  9.597726       1.115536  10.18592       1.479574  8.822929       1.698123  2.334974       3.725348  
1 1 1 31 4  10 o 20.24341 2.781605  4.454635       1.070933  4.333576       1.394648  4.628592       1.671806  -0.4374676     5.563209  
1 1 1 31 4  11 o 10.69090 3.197469  0.3137496      1.139599  -0.3530706E-01 1.426224  0.9301462      1.895265  -2.716685      6.394939  
1 1 1 31 4  12 o 11.09088 3.249143  0.3884144      1.180481  -0.3596461     1.502626  1.594461       1.907940  -4.090281      6.498287  
1 1 1 31 4  13 o 12.34159 3.328929  1.467764       1.168285  0.7806531      1.599555  2.253424       1.710420  -3.040198      6.657858  
1 1 1 31 4  14 o 13.16700 3.528100  1.514514       1.291581  0.4077572      1.609695  3.514946       2.164111  -6.122380      7.056200  
1 1 1 31 4  15 o 10.88186 3.599527  -0.6934248     2.002903  0.9883297      2.794354  -2.470333      2.872319  2.460617       7.199053  
1 1 1 31 4  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 5  0  o 28.67133 1.973366  8.734948       1.081736  6.322466       1.601367  10.75971       1.467054  0.000000       0.000000  
1 1 1 31 5  1  o 31.01599 1.649711  9.524347       0.9574668 10.21472       1.709854  9.208982       1.155645  1.517717       3.299423  
1 1 1 31 5  2  o 29.80186 1.446262  8.784188       0.8515670 9.974648       1.337106  7.971830       1.104541  3.319567       2.892524  
1 1 1 31 5  3  o 12.68163 2.480276  1.633356       0.5969586 1.782140       1.161018  1.579886       0.6960078 0.8916740      4.960552  
1 1 1 31 5  4  o 38.37362 0.9781107 15.17545       0.7272645 12.82939       1.124451  16.86261       0.9535612 -5.276936      1.956221  
1 1 1 31 5  5  o 8.322633 2.293942  0.4502172      0.5402806 0.4582055      0.8671041 0.4451477      0.6907605 0.6690564      4.587884  
1 1 1 31 5  6  o 11.10006 2.568824  1.021237       0.6075245 1.855237       1.171440  0.7143971      0.7105475 4.352476       5.137647  
1 1 1 31 5  7  o 8.869141 2.178478  0.6592975      0.5557439 -0.7651044     1.033778  1.238268       0.6590818 -3.881473      4.356955  
1 1 1 31 5  8  o 21.89877 1.998904  5.053369       0.7882709 5.262245       0.9426905 4.567801       1.437308  1.788382       3.997808  
1 1 1 31 5  9  o 30.50622 1.883798  9.198412       1.126457  7.877838       1.429967  11.35808       1.828680  -5.517988      3.767595  
1 1 1 31 5  10 o 29.33479 2.025381  8.508543       1.146749  7.531354       1.415937  10.37133       1.954952  -4.527248      4.050762  
1 1 1 31 5  11 o 13.81509 3.390420  2.029117       1.130591  1.918126       1.462155  2.194150       1.782933  -0.8991890     6.780840  
1 1 1 31 5  12 o 12.61978 3.286390  1.501054       1.174225  2.369081       1.501184  0.1328453      1.884706  3.715663       6.572780  
1 1 1 31 5  13 o 13.62760 3.477370  2.116391       1.228209  1.619480       1.703902  2.653815       1.771999  -2.237939      6.954739  
1 1 1 31 5  14 o 16.03493 3.810234  3.320362       1.374449  3.208121       1.639580  3.585702       2.520907  -0.2260284     7.620468  
1 1 1 31 5  15 o 12.66926 3.805900  0.7134454      1.900983  -2.431777      2.615240  4.236978       2.768057  -6.927709      7.611800  
1 1 1 31 5  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 6  0  o 47.01129 1.417851  22.08693       1.319502  24.10789       2.008097  20.55131       1.750440  0.000000       0.000000  
1 1 1 31 6  1  o 31.33393 1.659482  10.17821       0.9540801 9.210390       1.690211  10.63080       1.155829  -2.368919      3.318963  
1 1 1 31 6  2  o 13.17911 2.299971  1.852351       0.5854497 1.734622       0.9852917 1.916601       0.7278767 -0.6577692     4.599941  
1 1 1 31 6  3  o 44.72729 0.9137879 20.36974       0.7949471 18.65162       1.251400  21.53213       1.029311  -3.246056      1.827576  
1 1 1 31 6  4  o 8.037833 2.263576  0.1909366      0.5280176 0.7811596      0.9286293 -0.9105428E-01 0.6418770 3.447133       4.527151  
1 1 1 31 6  5  o 21.88072 1.566872  4.403018       0.6088825 5.840831       1.241294  3.947447       0.6987176 4.177591       3.133744  
1 1 1 31 6  6  o 8.994668 2.464977  0.2298180      0.5832275 1.265482       1.166638  -0.1152584     0.6734178 5.182550       4.929954  
1 1 1 31 6  7  o 9.794553 2.388397  0.4563023      0.5795135 1.831796       1.075471  -0.1064887     0.6879281 6.622399       4.776795  
1 1 1 31 6  8  o 35.25840 1.473393  12.36854       0.9100094 12.12903       1.052832  13.07604       1.809522  -1.107601      2.946786  
1 1 1 31 6  9  o 23.44436 2.171912  5.684118       1.013909  6.390367       1.454888  5.017232       1.413763  2.905716       4.343825  
1 1 1 31 6  10 o 27.17091 2.246114  7.342185       1.177898  6.471910       1.453994  9.003852       2.009121  -4.303839      4.492228  
1 1 1 31 6  11 o 8.452995 2.788206  -1.187103      1.146976  -0.6352854     1.439680  -2.145925      1.897741  0.1070738      5.576412  
1 1 1 31 6  12 o 11.74735 3.108084  1.039603       1.117666  2.237813       1.446091  -0.7380404     1.761374  4.788197       6.216168  
1 1 1 31 6  13 o 17.49579 3.484643  3.806150       1.269831  4.212211       1.870966  3.459357       1.729044  1.656422       6.969285  
1 1 1 31 6  14 o 9.373622 2.996632  -0.8688394     1.344313  0.8760381      1.694984  -3.827483      2.207138  3.151839       5.993264  
1 1 1 31 6  15 o 13.22974 3.941079  2.134981       1.806459  1.273622       2.552332  2.999569       2.557113  -2.208298      7.882157  
1 1 1 31 6  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 7  0  o 6.806002 4.436212  -0.8618923E-02 1.418957  -0.8618923E-02 1.418957  -0.8618923E-02 1.418957  0.000000       0.000000  
1 1 1 31 7  1  o 9.178115 2.611702  0.5302523      0.6477003 -0.8987308     1.654834  0.7887651      0.7038530 -0.4848671E-01 5.223405  
1 1 1 31 7  2  o 19.02187 1.652287  3.650305       0.5920590 3.665883       1.027453  3.642561       0.7244253 -0.2098083E-02 3.304573  
1 1 1 31 7  3  o 40.77136 0.9654585 16.28192       0.7642649 18.30434       1.269750  15.13297       0.9570417 3.849644       1.930917  
1 1 1 31 7  4  o 29.08414 1.139515  8.353009       0.6504843 9.270796       1.044544  7.771607       0.8313695 2.541702       2.279030  
1 1 1 31 7  5  o 19.60168 1.569124  4.122375       0.5712633 3.159469       0.9360343 4.693902       0.7211380 -3.972555      3.138247  
1 1 1 31 7  6  f 17.33532 2.122687  3.795403       0.6043530 1.852028       1.098964  4.637920       0.7235934 -8.237873      4.245375  
1 1 1 31 7  7  o 14.00925 2.116044  2.309154       0.5558126 1.322768       0.9661000 2.797159       0.6795344 -5.220705      4.232087  
1 1 1 31 7  8  o 16.80787 2.443289  3.308973       0.7645680 3.996335       0.9478485 2.028729       1.293577  6.012769       4.886578  
1 1 1 31 7  9  o 16.41164 2.336833  3.300747       0.6755555 3.898723       0.8040400 1.865218       1.245781  6.356401       4.673666  
1 1 1 31 7  10 o 15.07304 3.252914  2.280504       1.020708  1.791418       1.237000  3.323973       1.806827  -4.152617      6.505828  
1 1 1 31 7  11 o 14.67133 3.419331  2.398048       1.150127  2.432620       1.472783  2.344012       1.841295  0.4541588E-01  6.838663  
1 1 1 31 7  12 o 12.27839 3.278192  1.369039       1.149631  2.017308       1.429055  0.1799602      1.935425  2.600922       6.556384  
1 1 1 31 7  13 o 11.09485 3.269011  0.5869656      1.273247  -0.5848068     1.795921  1.771143       1.805402  -3.523861      6.538021  
1 1 1 31 7  14 o 11.61679 4.699333  1.300985       1.696181  1.300985       1.696181  ?              ?         ?              ?         
1 1 1 31 7  15 o 11.57520 5.326918  0.000000       0.000000  ?              ?         0.3976693      2.854211  ?              ?         
1 1 1 31 7  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 8  0  o 39.18364 2.495261  15.62457       1.939174  15.62457       1.939174  15.62457       1.939174  0.000000       0.000000  
1 1 1 31 8  1  o 17.83809 1.772886  3.178871       0.6169036 3.394218       1.002288  3.047536       0.7827332 0.9217815      3.545773  
1 1 1 31 8  2  o 15.28889 2.034129  2.318927       0.5737718 2.900422       1.000223  2.033725       0.7004867 2.668451       4.068259  
1 1 1 31 8  3  f 52.72837 0.9546914 27.90308       1.006361  26.88274       1.419249  28.93489       1.427202  -1.944935      1.909383  
1 1 1 31 8  4  o 22.85509 1.435483  5.271987       0.6542279 5.281075       0.9631224 5.264202       0.8914632 0.2034187E-01  2.870966  
1 1 1 31 8  5  o 9.187917 2.232738  0.5011332      0.5317003 1.489456       0.8783708 -0.7044376E-01 0.6679837 5.417896       4.465476  
1 1 1 31 8  6  o 10.75524 2.397663  1.233589       0.5776668 0.6327055      1.073101  1.478762       0.6854599 -2.067729      4.795325  
1 1 1 31 8  7  f 17.20679 1.826473  3.122033       0.5870672 2.822010       0.9465261 3.309607       0.7484120 -1.740032      3.652946  
1 1 1 31 8  8  o 22.00791 1.734985  5.083240       0.7394798 5.822870       0.9830722 4.119342       1.122261  3.923584       3.469970  
1 1 1 31 8  9  o 8.505064 2.471230  0.3140989      0.6524034 0.3141100      0.8126031 0.3140787      1.094319  -0.9909058     4.942459  
1 1 1 31 8  10 f 11.64655 2.557515  1.420893       0.5628697 1.478541       0.6169997 1.134916       1.374223  0.2374220      5.115029  
1 1 1 31 8  11 o 11.23781 3.252085  0.7780441      1.084063  0.7810134      1.289923  0.7709038      2.000290  -1.558711      6.504171  
1 1 1 31 8  12 o 13.71607 4.623206  2.055632       1.503843  2.055632       1.503843  ?              ?         ?              ?         
1 1 1 31 8  13 o 10.10918 3.130134  0.4438998E-01  1.230236  -0.7529544     1.678719  0.9693846      1.808109  -2.602435      6.260267  
1 1 1 31 8  14 o 11.33545 3.204219  0.9608868      1.295898  2.335993       1.556706  -2.143076      2.338820  4.595352       6.408438  
1 1 1 31 8  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 8  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 9  0  o 21.32173 3.430922  5.242944       1.272025  4.818869       1.733915  5.737158       1.871820  0.000000       0.000000  
1 1 1 31 9  1  o 16.83838 1.788244  2.971767       0.5723466 2.309428       0.8281549 3.577387       0.7919024 -3.998038      3.576488  
1 1 1 31 9  2  o 12.28162 2.134799  1.666061       0.5724236 0.6272767      0.9001623 2.371325       0.7417099 -6.066985      4.269597  
1 1 1 31 9  3  o 33.43674 1.131061  11.23566       0.7556902 11.16145       1.045049  11.31699       1.094049  -0.2245178     2.262123  
1 1 1 31 9  4  o 8.515844 2.387589  0.4244258      0.6033509 0.3698203      0.9057221 0.4679896      0.8089833 0.8708858E-01  4.775178  
1 1 1 31 9  5  o 23.37915 1.309381  5.458156       0.6006239 5.797310       0.9584038 5.238808       0.7707548 1.149570       2.618762  
1 1 1 31 9  6  o 30.12543 1.215734  9.304106       0.6697180 8.781597       1.207839  9.536062       0.8047567 -1.352985      2.431468  
1 1 1 31 9  7  o 34.31407 1.009327  11.55545       0.6791393 13.30227       1.098660  10.47519       0.8639809 4.069416       2.018654  
1 1 1 31 9  8  o 12.31614 2.572405  1.593249       0.7356309 2.364349       0.9950569 0.6638570      1.092425  4.995060       5.144810  
1 1 1 31 9  9  o 19.50611 1.876660  3.948950       0.7033787 4.050570       0.8876030 3.777417       1.153193  0.8410168      3.753319  
1 1 1 31 9  10 o 23.94217 1.757936  5.003551       0.6725235 4.500781       0.7378501 7.471636       1.634796  -5.729340      3.515872  
1 1 1 31 9  11 f 13.95327 3.558517  1.873266       1.262006  1.274281       1.617558  2.805037       2.017467  -3.612054      7.117033  
1 1 1 31 9  12 o 17.42198 3.208218  3.647948       1.082425  3.904439       1.283191  3.015194       2.015450  2.797020       6.416435  
1 1 1 31 9  13 o 11.30202 3.259969  1.081339       1.164816  1.302782       1.655128  0.8640372      1.639578  0.8016768      6.519938  
1 1 1 31 9  14 o 16.13657 4.293925  3.834253       1.903624  4.410045       2.657531  3.227467       2.728119  1.939030       8.587850  
1 1 1 31 9  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 9  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 10 0  o 47.31718 1.484252  22.45819       1.351572  23.20909       2.232928  22.02400       1.697946  0.000000       0.000000  
1 1 1 31 10 1  o 11.19824 2.182192  1.308169       0.5009837 1.246862       0.6655419 1.388327       0.7610129 -0.6009502     4.364383  
1 1 1 31 10 2  o 23.67635 1.331077  5.644331       0.6210086 5.652868       0.9646427 5.638290       0.8115442 0.1958847E-02  2.662155  
1 1 1 31 10 3  f 6.087664 2.010072  -0.7231291     0.5784866 -0.6497436     0.7220876 -0.8546226     0.9665782 -0.8879013     4.020145  
1 1 1 31 10 4  o 26.38121 1.177366  7.149823       0.6084694 8.071356       0.8201013 6.021315       0.9075379 3.903999       2.354733  
1 1 1 31 10 5  o 14.88303 2.247328  2.373801       0.6485229 2.099054       0.9432846 2.620077       0.8930736 -1.764583      4.494656  
1 1 1 31 10 6  o 33.06404 1.169526  11.53529       0.7051416 9.707190       1.235643  12.41815       0.8586919 -4.190729      2.339052  
1 1 1 31 10 7  o 18.21568 1.605899  3.181016       0.5469577 3.907993       1.003577  2.873836       0.6523587 2.717545       3.211799  
1 1 1 31 10 8  o 41.85983 1.108722  17.64997       0.9253086 17.41644       1.256053  17.92711       1.368310  -0.5796776     2.217444  
1 1 1 31 10 9  o 20.32068 1.769508  4.374703       0.6938066 5.083676       0.9237247 3.457047       1.050916  4.065369       3.539016  
1 1 1 31 10 10 o 9.788752 2.346463  0.9681940      0.5643601 1.251659       0.6996033 0.4400389      0.9549558 2.019013       4.692926  
1 1 1 31 10 11 o 7.040016 2.311405  -0.2460050     0.5820069 0.5606449E-01  0.6121147 -3.092007      1.878871  -1.189289      4.622811  
1 1 1 31 10 12 o 10.80132 3.101323  0.7363559      1.011749  0.4124638      1.263262  1.315788       1.689641  -2.615945      6.202646  
1 1 1 31 10 13 o 11.90708 3.344676  1.404592       1.184693  1.496537       1.542716  1.272438       1.849529  0.2786922E-01  6.689352  
1 1 1 31 10 14 o 11.62469 3.646342  0.6847340      1.691075  0.8378594      2.397699  0.5331718      2.385430  0.3653297      7.292683  
1 1 1 31 10 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 10 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 11 0  o 20.03257 2.334868  4.101362       0.7507068 4.874887       1.516047  3.850082       0.8640792 0.000000       0.000000  
1 1 1 31 11 1  o 9.264838 2.319095  0.6587202      0.5611761 1.223307       0.8392887 0.2022254      0.7546821 3.391483       4.638190  
1 1 1 31 11 2  o 29.21494 1.043948  8.550465       0.6079252 9.598462       0.8849366 7.613890       0.8365728 3.388363       2.087896  
1 1 1 31 11 3  o 18.59465 1.491888  3.493331       0.5545302 3.361763       0.7702519 3.634897       0.7989852 -0.7266846     2.983776  
1 1 1 31 11 4  o 15.17470 1.885722  2.465611       0.5435155 3.101310       0.7484758 1.756449       0.7905421 4.665443       3.771445  
1 1 1 31 11 5  o 21.18291 1.328134  4.536283       0.5591172 5.217669       0.8030738 3.895298       0.7789024 3.114813       2.656269  
1 1 1 31 11 6  o 6.823923 2.114871  -0.1604503     0.5537190 -0.2945007     0.8230948 -0.4963161E-01 0.7483805 -0.1541224     4.229742  
1 1 1 31 11 7  o 15.46079 2.246756  2.198380       0.6631240 3.821818       1.176819  1.443087       0.8026932 7.618144       4.493512  
1 1 1 31 11 8  o 9.073405 2.543764  0.3739631      0.7369545 1.003892       0.9883580 -0.4147771     1.105950  2.709724       5.087529  
1 1 1 31 11 9  o 12.99669 2.513933  1.698771       0.6882328 1.054841       0.8893044 2.660338       1.086727  -5.266410      5.027865  
1 1 1 31 11 10 o 21.15541 1.700065  4.559381       0.7077276 4.332866       0.9129434 4.900515       1.120359  -1.210363      3.400131  
1 1 1 31 11 11 o 9.928881 2.370553  0.9639537      0.5277986 0.8923616      0.6348463 1.124196       0.9497839 -1.281259      4.741106  
1 1 1 31 11 12 o 14.95680 3.267385  2.618428       1.052793  2.344070       1.338611  3.063324       1.704612  -1.700338      6.534769  
1 1 1 31 11 13 o 10.52083 2.904545  0.8733427      0.9804923 1.731387       1.231494  -0.6123856     1.620493  3.475069       5.809089  
1 1 1 31 11 14 o 11.54887 3.697307  0.2911538      1.814150  -0.4384612     2.379958  1.303038       2.802774  -2.282063      7.394614  
1 1 1 31 11 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 11 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 12 0  o 6.890569 3.941828  0.6409258      0.8439428 0.6409258      0.8439428 0.6409258      0.8439428 0.000000       0.000000  
1 1 1 31 12 1  o 16.41896 1.781520  2.814738       0.5564619 2.116387       0.7837792 3.524526       0.7901718 -4.508578      3.563041  
1 1 1 31 12 2  o 22.35332 1.296856  5.038069       0.5796204 5.207793       0.8270745 4.874261       0.8125330 0.7426376      2.593712  
1 1 1 31 12 3  o 35.13965 0.9218833 12.40030       0.6477634 12.30561       0.9056697 12.49947       0.9268491 -0.2722664     1.843767  
1 1 1 31 12 4  o 16.63457 1.649122  2.806632       0.5485185 2.770797       0.7657417 2.844399       0.7861037 -0.2148609     3.298244  
1 1 1 31 12 5  o 25.88720 1.139639  6.751424       0.5898595 6.524631       0.8251711 6.988408       0.8435060 -0.8912601     2.279277  
1 1 1 31 12 6  o 37.12292 0.9581153 13.87127       0.7083986 14.02559       0.9620367 13.68849       1.047001  0.4711647      1.916231  
1 1 1 31 12 7  o 21.26089 1.270994  4.555592       0.5389234 5.063007       0.7824873 4.097696       0.7433255 2.258734       2.541988  
1 1 1 31 12 8  o 14.06200 1.781869  2.021231       0.4763994 2.222890       0.7824023 1.902414       0.6005648 0.7973862      3.563739  
1 1 1 31 12 9  o 20.42105 1.815493  4.479000       0.6599979 4.763630       0.7891154 3.816360       1.204035  2.522375       3.630987  
1 1 1 31 12 10 o 19.37944 1.788212  3.948763       0.6364168 4.061647       0.7692990 3.703997       1.132804  1.158398       3.576425  
1 1 1 31 12 11 o 10.56281 3.102894  0.1432160      0.6906542 -0.7578475E-01 0.7280289 2.113384       2.183622  -7.777709      6.205787  
1 1 1 31 12 12 o 13.10486 2.934744  2.043850       0.8243977 2.216244       0.9440572 1.490174       1.691860  1.720309       5.869488  
1 1 1 31 12 13 o 9.831169 2.786049  0.8029665      0.8261286 1.225818       0.9161727 -1.036553      1.910890  1.512070       5.572099  
1 1 1 31 12 14 o 8.386572 3.686439  0.1039998      1.191296  0.1039998      1.191296  ?              ?         ?              ?         
1 1 1 31 12 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 13 0  o 16.26826 3.297909  3.411311       0.8820556 2.930818       1.618464  3.614327       1.052021  0.000000       0.000000  
1 1 1 31 13 1  f 23.57971 1.237726  5.575564       0.5818307 6.236707       0.8550137 5.005366       0.7940321 2.597189       2.475452  
1 1 1 31 13 2  o 54.62770 0.8779609 29.87389       0.9508803 30.60806       1.450975  29.32123       1.258886  1.146961       1.755922  
1 1 1 31 13 3  o 14.32080 2.039300  2.163597       0.5631167 2.097718       0.7772501 2.236380       0.8169683 -0.4594135     4.078599  
1 1 1 31 13 4  o 12.85581 2.253551  1.753489       0.5745882 1.623663       0.7686949 1.917876       0.8649811 -1.050090      4.507102  
1 1 1 31 13 5  f 15.06382 2.005719  2.405032       0.5834553 2.068708       0.8716596 2.678040       0.7853363 -2.316345      4.011439  
1 1 1 31 13 6  f 8.156672 2.236979  0.4507987      0.5223557 0.5464262      0.7242513 0.3471271      0.7540974 0.4809933      4.473959  
1 1 1 31 13 7  o 11.41602 2.087155  1.339830       0.4922855 1.937971       0.7433621 0.8725936      0.6570025 4.152245       4.174310  
1 1 1 31 13 8  o 27.57366 1.194376  7.677117       0.6578987 7.983511       0.9591563 7.404887       0.9041011 1.030287       2.388751  
1 1 1 31 13 9  o 24.02437 1.547899  5.825861       0.6845515 5.728613       0.8184466 6.052310       1.248921  -0.4773273     3.095798  
1 1 1 31 13 10 o 7.927145 2.262164  0.3291120      0.5646421 0.6614743      0.6650796 -0.5288249     1.068551  1.187632       4.524327  
1 1 1 31 13 11 o 12.53693 2.375822  1.802153       0.6146192 2.120402       0.7688842 1.238863       1.022924  2.988986       4.751643  
1 1 1 31 13 12 o 5.276515 1.777058  -0.7631915     0.4988545 -0.3751774     0.5839760 -1.810793      0.9595538 -0.3107405E-01 3.554117  
1 1 1 31 13 13 o 10.20926 3.068367  0.7151656      0.8858192 0.8144691      0.9598629 0.1449891      2.300020  -1.594687      6.136734  
1 1 1 31 13 14 o 6.537063 3.136292  -1.263068      1.179302  -1.263068      1.179302  ?              ?         ?              ?         
1 1 1 31 13 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 14 0  o 34.56975 1.619639  11.58156       1.050356  14.05520       1.875356  10.45091       1.267879  0.000000       0.000000  
1 1 1 31 14 1  o 10.62124 2.589511  1.034405       0.6669974 1.364120       1.014971  0.7837811      0.8849031 2.015283       5.179023  
1 1 1 31 14 2  o 20.25195 1.495123  4.193241       0.5988079 4.748813       0.8300331 3.590270       0.8647159 2.869926       2.990246  
1 1 1 31 14 3  o 43.44777 0.8554167 18.92084       0.7414671 18.47991       1.008653  19.43925       1.093687  -1.089241      1.710833  
1 1 1 31 14 4  o 44.39861 1.027719  19.50118       0.8632240 18.83164       1.052693  20.87556       1.508232  -2.201485      2.055439  
1 1 1 31 14 5  o 17.32209 2.114253  3.257158       0.6886548 2.488020       1.049007  3.839684       0.9129224 -4.227617      4.228506  
1 1 1 31 14 6  o 17.10553 1.796682  2.954674       0.6076127 3.191548       0.9465264 2.788642       0.7924468 1.115007       3.593363  
1 1 1 31 14 7  o 13.63134 2.028668  2.035268       0.5464352 2.701524       0.7472901 1.269682       0.8010613 5.291644       4.057335  
1 1 1 31 14 8  o 7.333819 2.015870  0.2212703      0.4736724 -0.4563468     0.7205594 0.7369186      0.6285712 -2.816382      4.031739  
1 1 1 31 14 9  o 17.68867 2.653056  3.609049       0.7882674 3.799458       0.8985109 2.972804       1.642447  3.093977       5.306112  
1 1 1 31 14 10 o 14.73707 2.266469  2.797791       0.6033625 3.317395       0.6995475 1.288380       1.192297  6.591386       4.532937  
1 1 1 31 14 11 o 7.918427 2.190801  0.2847890      0.5845352 0.9121970      0.6875783 -1.350621      1.110096  3.002067       4.381602  
1 1 1 31 14 12 o 11.67586 2.324461  1.631596       0.5466244 1.807534       0.6335061 1.118877       1.081460  2.376049       4.648922  
1 1 1 31 14 13 o 9.601157 2.538905  0.7022787      0.7247125 1.627453       1.039242  -0.1735246     1.011133  4.347369       5.077810  
1 1 1 31 14 14 o 9.802923 4.204285  0.5983146      1.477288  0.5983146      1.477288  ?              ?         ?              ?         
1 1 1 31 14 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 15 0  o 5.357938 2.600650  -0.5590963     0.8235235 -1.965690      1.633440  -0.7971450E-01 0.9535856 0.000000       0.000000  
1 1 1 31 15 1  o 13.60752 2.274751  2.066466       0.6208441 1.339906       1.015779  2.499739       0.7844129 -4.134435      4.549502  
1 1 1 31 15 2  o 25.10631 1.236762  6.384010       0.6179127 7.067563       0.8701299 5.688609       0.8776394 2.748144       2.473524  
1 1 1 31 15 3  o 28.50265 1.159721  8.194540       0.6607420 8.044165       0.9445152 8.338658       0.9246615 -0.5215816     2.319443  
1 1 1 31 15 4  o 20.52512 1.693982  4.581345       0.6463351 5.529974       0.8382702 3.190602       1.014984  5.758274       3.387965  
1 1 1 31 15 5  o 42.94781 0.9478011 18.55921       0.8106648 18.41673       1.200565  18.67861       1.099055  -0.3258553     1.895602  
1 1 1 31 15 6  o 24.15751 1.349379  5.820740       0.6452987 6.511427       1.003521  5.333797       0.8426053 2.385450       2.698758  
1 1 1 31 15 7  o 29.90151 1.082386  9.019967       0.6463704 8.930131       0.8886479 9.120891       0.9418851 -0.3025990     2.164771  
1 1 1 31 15 8  o 9.122571 2.412963  0.6878148      0.5831080 0.7249067      0.7375332 0.6259741      0.9523119 -0.3050022     4.825926  
1 1 1 31 15 9  o 11.51357 2.596700  1.483175       0.6648326 1.734411       0.7641257 0.7005256      1.348676  2.206614       5.193400  
1 1 1 31 15 10 o 10.91065 2.661689  1.015053       0.6369460 0.7491315      0.7374624 1.795972       1.263764  -3.872575      5.323378  
1 1 1 31 15 11 o 8.676029 2.560015  0.3256032      0.6449215 0.2337345      0.7392383 0.6182922      1.319483  -2.581663      5.120031  
1 1 1 31 15 12 f 8.039598 2.355738  0.3781503      0.5649827 0.4661491      0.6490076 0.1027759      1.148083  -0.7606735     4.711476  
1 1 1 31 15 13 o 10.35436 2.557201  1.088436       0.7361804 1.863858       0.9670075 0.1948595E-01  1.135375  4.392558       5.114402  
1 1 1 31 15 14 f 10.52356 4.266290  1.097672       1.402205  1.097672       1.402205  ?              ?         ?              ?         
1 1 1 31 15 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 16 0  o 20.04834 2.735208  4.120268       0.8626424 5.161838       1.748586  3.785227       0.9917274 0.000000       0.000000  
1 1 1 31 16 1  f 29.08046 1.395179  8.392596       0.7570310 9.014266       1.359370  8.113119       0.9114478 1.416283       2.790359  
1 1 1 31 16 2  o 24.45610 1.347818  6.040653       0.6482694 6.010963       0.8426665 6.083704       1.014698  -0.9892273E-01 2.695635  
1 1 1 31 16 3  o 6.275733 2.037362  -0.5778235     0.5833409 -0.5623294     0.7839602 -0.5970444     0.8731683 -0.3747306     4.074724  
1 1 1 31 16 4  o 12.00642 2.329419  1.525312       0.5760129 1.363860       0.7831042 1.715635       0.8502415 -1.300140      4.658838  
1 1 1 31 16 5  o 17.79728 1.766343  3.376284       0.5904862 4.077082       0.8035223 2.553485       0.8706596 4.528875       3.532685  
1 1 1 31 16 6  o 24.17648 1.246049  5.910987       0.6019067 5.561786       0.8433571 6.273529       0.8593164 -1.466761      2.492098  
1 1 1 31 16 7  o 26.06100 1.174996  6.869518       0.6122199 7.077951       0.8660225 6.661289       0.8655970 0.7992554      2.349992  
1 1 1 31 16 8  o 20.06831 1.379816  4.105837       0.5512059 3.960124       0.8111328 4.230859       0.7513421 -0.7000084     2.759632  
1 1 1 31 16 9  o 4.770594 1.643134  -1.275952      0.4835927 -0.7928883     0.7675286 -1.593964      0.6227511 1.660933       3.286269  
1 1 1 31 16 10 o 9.414068 2.650245  0.3331199      0.6442615 0.5418153E-01  0.7284453 1.335024       1.380562  -4.878329      5.300491  
1 1 1 31 16 11 o 8.726145 2.545759  0.4776697      0.6753244 0.7174502      0.7647062 -0.3719368     1.439450  0.1732855      5.091518  
1 1 1 31 16 12 o 7.473101 2.230778  0.1300681      0.6006679 0.6084355      0.6843435 -1.475113      1.253590  1.508502       4.461555  
1 1 1 31 16 13 o 7.799924 2.505842  -0.8614670     0.9177064 0.5483130      1.304291  -2.243665      1.291469  3.356056       5.011683  
1 1 1 31 16 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 16 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 17 0  o 16.67541 3.197320  2.971625       0.8461267 4.519871       1.651571  2.420645       0.9852465 0.000000       0.000000  
1 1 1 31 17 1  o 9.493601 2.637759  0.5986199      0.7192457 0.3991953      1.193746  0.7122735      0.9011856 0.1307020      5.275519  
1 1 1 31 17 2  o 23.67585 1.299354  5.659001       0.6150185 5.568388       0.8553153 5.756007       0.8849781 -0.3881111     2.598708  
1 1 1 31 17 3  o 27.24015 1.151836  7.468162       0.6267248 7.258677       0.8606032 7.704706       0.9144951 -0.8053761     2.303672  
1 1 1 31 17 4  o 22.91462 1.504708  5.338349       0.6825046 5.241914       1.036956  5.412055       0.9065496 -0.4154167     3.009417  
1 1 1 31 17 5  o 45.02207 0.8969681 20.36267       0.8072304 19.72175       1.119572  21.05663       1.164974  -1.472416      1.793936  
1 1 1 31 17 6  o 28.41571 1.199589  7.935274       0.6682081 7.069681       0.8486109 9.347682       1.084006  -3.927599      2.399179  
1 1 1 31 17 7  o 29.14820 1.103145  8.581933       0.6428623 8.410394       0.9149967 8.749153       0.9034033 -0.5847168     2.206290  
1 1 1 31 17 8  o 7.806832 2.129845  0.1790525      0.5388848 -0.6279976     0.7672233 0.9648925      0.7570744 -3.922691      4.259690  
1 1 1 31 17 9  o 8.672650 2.292330  0.4779880      0.5354592 1.111574       0.8933421 0.1227287      0.6689409 3.580303       4.584660  
1 1 1 31 17 10 o 11.93412 2.695106  1.437085       0.7201014 1.035739       0.9142010 2.093156       1.168845  -3.425188      5.390212  
1 1 1 31 17 11 o 8.602183 2.572957  0.3174550      0.6687761 0.2795108      0.7661793 0.4388767      1.370583  -2.093572      5.145915  
1 1 1 31 17 12 f 10.65425 2.667727  1.243953       0.6753709 1.345320       0.7839384 0.9521200      1.330151  0.4468889      5.335454  
1 1 1 31 17 13 o 8.494196 2.699687  -0.8422287E-01 0.9370853 -0.1688588     1.199494  0.4833840E-01  1.501166  -1.097074      5.399374  
1 1 1 31 17 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 18 0  o 17.07056 3.626716  3.747146       1.088628  3.198571       1.588421  4.233049       1.494934  0.000000       0.000000  
1 1 1 31 18 1  o 14.75408 2.116994  2.262627       0.6138760 1.763824       0.8371861 2.842718       0.9028292 -3.845193      4.233989  
1 1 1 31 18 2  o 8.332692 2.380108  0.3100847      0.6009005 0.1493514      0.7678198 0.5641176      0.9652758 -1.755806      4.760216  
1 1 1 31 18 3  o 33.15903 1.142755  11.06155       0.7403188 10.96805       0.9486244 11.20722       1.184009  -0.3000145     2.285510  
1 1 1 31 18 4  o 44.51676 0.9771473 19.91893       0.8634412 20.17132       1.307185  19.72359       1.150036  0.4658203      1.954295  
1 1 1 31 18 5  o 12.10774 2.731480  1.529483       0.7963806 0.6617496      1.227760  2.159755       1.046367  -3.924411      5.462960  
1 1 1 31 18 6  o 23.66105 1.308317  5.695868       0.6167852 6.146247       0.8623568 5.224177       0.8825247 1.956038       2.616635  
1 1 1 31 18 7  o 9.027863 2.255803  0.5434517      0.5856816 1.377695       0.8166620 -0.3400070     0.8404058 4.656507       4.511606  
1 1 1 31 18 8  o 14.17868 2.087808  2.164378       0.5827365 2.569382       0.8130620 1.736579       0.8356290 3.162543       4.175617  
1 1 1 31 18 9  o 8.643975 2.055117  0.6423159      0.5078840 -0.4958906     0.8492554 1.276038       0.6336902 -4.413898      4.110233  
1 1 1 31 18 10 o 27.38742 1.716142  7.641188       0.9010065 7.162453       1.110723  8.562376       1.540751  -2.151720      3.432284  
1 1 1 31 18 11 o 10.24360 2.374745  1.120714       0.6721480 1.859926       0.8201085 -0.3918370     1.173118  5.073654       4.749491  
1 1 1 31 18 12 o 7.041706 2.340137  -0.5159606     0.7103971 -0.2258317     0.7868726 -1.794666      1.651940  -1.143852      4.680273  
1 1 1 31 18 13 o 9.538694 2.907869  0.4868791      1.000850  0.3609977      1.330320  0.6510548      1.519252  -0.8531942     5.815738  
1 1 1 31 18 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 19 0  o 20.47966 3.019718  4.889691       0.9612940 4.575507       1.794333  5.016169       1.138457  0.000000       0.000000  
1 1 1 31 19 1  o 25.95411 1.328618  6.796321       0.6888142 7.151600       1.004700  6.481217       0.9461913 1.273886       2.657236  
1 1 1 31 19 2  o 42.07787 0.9247116 17.83058       0.7764308 18.25172       1.070414  17.36298       1.127919  1.068378       1.849423  
1 1 1 31 19 3  o 28.41414 1.292362  8.195992       0.7310313 7.792996       1.069969  8.548800       1.001129  -1.351641      2.584723  
1 1 1 31 19 4  o 30.02961 1.279752  9.306293       0.7516063 10.25981       0.9994160 8.064931       1.140333  3.702703       2.559504  
1 1 1 31 19 5  o 66.78474 0.9492442 44.92469       1.253653  44.96411       1.922261  44.89552       1.653749  -0.2193451E-01 1.898488  
1 1 1 31 19 6  o 24.38634 1.291137  5.916870       0.6239552 5.115127       0.8210204 7.013024       0.9600022 -3.840250      2.582273  
1 1 1 31 19 7  f 19.88849 1.539726  4.061157       0.6086218 4.634047       0.8696231 3.511138       0.8520873 2.813049       3.079452  
1 1 1 31 19 8  f 10.84802 2.434237  1.246256       0.5919763 1.286062       0.8486195 1.208527       0.8261930 0.2867231      4.868474  
1 1 1 31 19 9  o 11.58965 1.995022  1.285114       0.5521703 2.609932       0.8126878 0.1491152      0.7525488 8.569336       3.990044  
1 1 1 31 19 10 f 11.51998 2.708402  1.475282       0.7026336 1.540093       0.8417214 1.326322       1.276084  0.3238983      5.416804  
1 1 1 31 19 11 o 16.24401 2.598587  2.742775       0.7149656 2.461863       0.8086128 3.749201       1.530544  -2.590747      5.197175  
1 1 1 31 19 12 o 8.169291 2.528194  0.1725624      0.7333892 0.5222701      0.8152419 -1.311297      1.679308  0.1568642      5.056387  
1 1 1 31 19 13 o 20.91302 3.151111  5.648480       1.268916  5.854224       1.923456  5.489938       1.688457  0.1210194      6.302222  
1 1 1 31 19 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 20 0  o 7.044644 3.136618  0.3787252      0.8473135 0.3307121      1.539814  0.3995774      1.014763  0.000000       0.000000  
1 1 1 31 20 1  o 7.902941 2.391817  -0.6290498E-02 0.6813239 0.2508599      0.9264930 -0.3091157     1.005413  0.8058729      4.783635  
1 1 1 31 20 2  o 9.022036 2.414300  0.4164862      0.6367493 -0.1980751     0.8467749 1.216202       0.9659464 -4.000154      4.828601  
1 1 1 31 20 3  o 34.75201 1.034916  12.14101       0.7171037 11.73381       0.9704888 12.63070       1.064261  -1.263611      2.069831  
1 1 1 31 20 4  o 30.21438 1.165872  9.293306       0.6991472 10.38095       0.9756938 8.145459       1.002331  3.708273       2.331744  
1 1 1 31 20 5  o 15.12066 2.099626  2.480361       0.6199430 3.696459       0.8881920 1.325065       0.8657038 7.798074       4.199252  
1 1 1 31 20 6  o 29.02404 1.301168  8.373791       0.7247626 7.935816       0.8956218 9.204759       1.233651  -2.040985      2.602336  
1 1 1 31 20 7  o 8.292545 2.442171  0.2638675      0.6587324 0.3913071      0.8258686 0.4100267E-01  1.092144  -0.1674366     4.884341  
1 1 1 31 20 8  o 18.21993 1.680287  3.417441       0.6112274 3.289578       0.8350102 3.565040       0.8971425 -0.7141037     3.360575  
1 1 1 31 20 9  o 8.920506 2.423903  0.6495516      0.6086671 0.5799828      0.8600175 0.7193695      0.8615550 -0.3951664     4.847807  
1 1 1 31 20 10 o 21.89048 1.366857  4.709023       0.5831225 6.367907       0.9559823 3.726095       0.7358727 5.835527       2.733714  
1 1 1 31 20 11 o 9.679340 2.728613  0.7331913      0.7130694 0.6171603      0.8274640 1.067973       1.405538  -2.209111      5.457226  
1 1 1 31 20 12 o 11.33988 3.038574  1.300106       0.7809496 1.171377       0.8610064 1.897361       1.854596  -2.343035      6.077149  
1 1 1 31 20 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 20 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 21 0  o 7.240589 3.212952  0.4541897      0.8853220 -0.6793936E-01 1.738347  0.6370460      1.028732  0.000000       0.000000  
1 1 1 31 21 1  o 7.183427 2.275660  -0.5013164     0.7077118 0.1160363      0.9055114 -1.470322      1.134463  1.433136       4.551320  
1 1 1 31 21 2  o 31.32996 1.305823  10.12940       0.7971553 9.030832       1.235990  10.91182       1.043093  -3.072742      2.611646  
1 1 1 31 21 3  o 13.32082 2.372928  1.933114       0.6598642 1.156052       0.9381316 2.694013       0.9283237 -5.119677      4.745856  
1 1 1 31 21 4  o 13.34417 2.300564  1.895486       0.6094430 1.552713       0.8169276 2.325670       0.9151824 -2.678219      4.601129  
1 1 1 31 21 5  o 37.34150 1.160139  14.06446       0.8400957 13.92863       1.062958  14.29050       1.371201  -0.3741798     2.320277  
1 1 1 31 21 6  o 23.75010 1.414026  5.782493       0.6683044 6.036668       0.9141970 5.490755       0.9794208 1.183920       2.828051  
1 1 1 31 21 7  o 11.03804 2.384818  1.224395       0.6196098 0.5295384      0.8586637 1.979281       0.8949857 -4.747576      4.769637  
1 1 1 31 21 8  o 10.46712 2.674549  1.019178       0.6998785 1.157843       1.156963  0.9391502      0.8789344 1.139939       5.349099  
1 1 1 31 21 9  o 15.22548 2.274571  2.547546       0.6700484 3.216254       1.016523  2.033772       0.8910155 3.651658       4.549141  
1 1 1 31 21 10 o 9.830925 2.455689  0.8574943      0.6284088 0.3090626      0.8253415 1.613977       0.9693308 -4.030504      4.911379  
1 1 1 31 21 11 o 8.026954 2.432156  0.2172446      0.6891367 0.5546917      0.8066335 -0.6946105     1.325978  0.5905552      4.864312  
1 1 1 31 21 12 o 12.18565 3.142663  1.445436       0.8401605 1.069511       0.9409127 2.924169       1.866137  -4.539289      6.285326  
1 1 1 31 21 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 22 0  o 5.601659 2.756715  -0.9112302     0.9930515 -1.042605      1.616457  -0.8315910     1.258552  0.000000       0.000000  
1 1 1 31 22 1  o 20.69438 1.771683  4.424396       0.7239337 4.155671       1.094406  4.633458       0.9652987 -1.219725      3.543366  
1 1 1 31 22 2  o 18.97567 2.374046  4.294993       0.7850232 2.670253       1.349919  5.125215       0.9649680 -6.909899      4.748091  
1 1 1 31 22 3  o 28.91625 1.326105  8.472440       0.7589999 8.430728       1.003049  8.528318       1.160958  -0.1095085     2.652209  
1 1 1 31 22 4  o 14.52840 2.447416  2.292661       0.6995723 2.454318       1.043127  2.160519       0.9431065 0.8995600      4.894833  
1 1 1 31 22 5  o 19.67151 1.760327  4.073544       0.6767209 4.495664       0.9002863 3.525246       1.026056  2.548868       3.520655  
1 1 1 31 22 6  o 10.59900 2.604600  1.077175       0.6670914 0.8870254      0.8595865 1.365113       1.057770  -1.765271      5.209199  
1 1 1 31 22 7  f 10.94660 2.548546  1.256277       0.6479283 1.375330       0.9039803 1.130500       0.9291561 0.7535944      5.097093  
1 1 1 31 22 8  f 17.93058 2.099648  3.381017       0.7282302 2.793674       0.9544324 4.199359       1.126593  -3.981473      4.199296  
1 1 1 31 22 9  o 6.939631 2.181026  -0.4707215     0.6668085 -1.600188      1.020977  0.3694136      0.8805491 -2.425100      4.362052  
1 1 1 31 22 10 o 15.32496 2.029099  2.536260       0.6064628 3.024101       0.9193380 2.160408       0.8069467 2.909773       4.058199  
1 1 1 31 22 11 o 9.450960 2.808551  0.6139414      0.7685603 0.6388649      0.8585234 0.5133663      1.724618  -1.614235      5.617102  
1 1 1 31 22 12 o 11.92798 3.116845  1.553361       0.9727772 0.9023137      1.216201  2.709569       1.620753  -4.199415      6.233690  
1 1 1 31 22 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 23 0  f 6.042643 2.913300  -0.4146882     0.9497563 -1.653056      1.974069  -0.4170420E-01 1.083384  0.000000       0.000000  
1 1 1 31 23 1  o 14.47188 2.663240  2.121427       0.7691925 3.144036       1.278229  1.540899       0.9630873 4.901935       5.326481  
1 1 1 31 23 2  o 12.18411 2.907197  1.337469       0.8707880 2.343812       1.346561  0.6141379      1.141620  4.804567       5.814394  
1 1 1 31 23 3  o 13.67827 2.337059  2.007342       0.6453784 1.372741       0.8770905 2.756602       0.9530378 -4.660207      4.674119  
1 1 1 31 23 4  o 31.01630 1.199130  9.786502       0.7422458 10.40805       1.042599  9.147746       1.056936  2.038164       2.398260  
1 1 1 31 23 5  f 12.84744 2.368845  1.651206       0.6641542 0.7096791      0.8740941 2.937229       1.021566  -7.235572      4.737689  
1 1 1 31 23 6  o 11.78882 2.582382  1.526624       0.6724574 1.690971       0.8607165 1.269143       1.077336  1.210671       5.164764  
1 1 1 31 23 7  f 19.04359 2.028501  3.891144       0.7437190 4.328382       1.018224  3.391115       1.088883  2.777416       4.057001  
1 1 1 31 23 8  o 9.176853 2.487273  0.6763675      0.6511514 0.3377640      0.8926025 1.061533       0.9519987 -2.053330      4.974545  
1 1 1 31 23 9  f 8.188474 2.395333  0.3087275      0.6432458 0.2675323E-01  0.8686903 0.6510146      0.9570960 -1.695265      4.790666  
1 1 1 31 23 10 o 11.30810 2.913839  1.110431       0.8859360 0.2787265      1.122425  2.484858       1.442891  -5.457677      5.827678  
1 1 1 31 23 11 f 8.620577 2.701068  0.5394294E-01  0.7445216 -0.1355928     0.8316842 0.8186632      1.670568  -3.723057      5.402135  
1 1 1 31 23 12 o 11.10455 2.947098  1.392190       0.9863589 2.175711       1.222964  -0.6608072E-01 1.668427  3.839522       5.894197  
1 1 1 31 23 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31 24 0  o 5.906215 2.750388  -0.1950794     0.8383474 -1.017889      1.311172  0.3739128      1.090343  0.000000       0.000000  
1 1 1 31 24 1  o 11.80752 2.536959  1.488180       0.6962443 0.7512292      1.027370  2.114114       0.9468303 -4.135558      5.073918  
1 1 1 31 24 2  o 22.95373 1.627461  5.546872       0.7271940 6.277223       0.9706759 4.612625       1.097840  3.701729       3.254922  
1 1 1 31 24 3  o 15.00633 2.291322  2.312721       0.7396584 4.328240       1.118711  0.7473453      0.9859014 10.79684       4.582644  
1 1 1 31 24 4  o 16.55009 2.241585  2.932706       0.7160161 2.959382       0.9368016 2.895227       1.110383  0.6465721      4.483170  
1 1 1 31 24 5  o 14.75146 2.336729  2.295084       0.6727009 1.652284       0.8740598 3.229041       1.053577  -4.994415      4.673458  
1 1 1 31 24 6  o 11.29508 2.262576  1.269409       0.6589468 2.451463       0.8882937 -0.1769866     0.9826111 7.477279       4.525152  
1 1 1 31 24 7  o 9.681515 2.645088  0.8082578      0.7271866 0.7091105      1.059317  0.8966188      1.000036  -0.3422556     5.290177  
1 1 1 31 24 8  o 9.829209 2.612512  0.8863297      0.7231303 0.3843874      1.059286  1.324393       0.9895889 -2.250998      5.225023  
1 1 1 31 24 9  f 12.60184 2.858780  1.596161       0.7590563 1.150363       0.8933492 2.753647       1.439495  -4.604423      5.717559  
1 1 1 31 24 10 f 13.41558 2.943124  2.274202       0.8403152 2.423908       0.9680994 1.816747       1.692289  1.943711       5.886249  
1 1 1 31 24 11 o 10.06602 2.863735  0.9883217      0.8276128 1.144318       0.9427021 0.4638968      1.728459  0.8226490E-01  5.727470  
1 1 1 31 24 12 o 9.940973 2.877362  0.4536598      0.7599435 -0.1280907E-01 0.8489903 2.333966       1.704534  -5.934667      5.754725  
1 1 1 31 25 0  o 10.41528 3.490386  1.747343       1.059493  -1.067520      2.290067  2.513923       1.195084  0.000000       0.000000  
1 1 1 31 25 1  o 19.05429 1.998276  3.718291       0.7552174 4.394267       1.153755  3.211526       0.9989666 2.991077       3.996553  
1 1 1 31 25 2  o 27.92383 1.519468  7.858553       0.8309779 7.412616       1.059654  8.570790       1.339181  -1.921421      3.038936  
1 1 1 31 25 3  o 19.54203 2.200916  3.696119       0.8015847 2.561665       0.9855685 5.913014       1.377735  -8.495110      4.401832  
1 1 1 31 25 4  o 19.42366 1.848978  3.886338       0.7094188 3.717808       0.9251074 4.126920       1.105313  -0.9194183     3.697956  
1 1 1 31 25 5  o 24.43784 1.679723  6.068685       0.7820134 5.875820       0.9624592 6.443374       1.341501  -0.9181614     3.359446  
1 1 1 31 25 6  o 11.90534 2.739590  1.520362       0.7685820 2.123406       1.125200  0.9928946      1.052333  3.334631       5.479181  
1 1 1 31 25 7  o 7.582700 2.373105  -0.3734205     0.7265359 -0.9766864     0.9562195 0.4504745      1.117478  -2.906712      4.746211  
1 1 1 31 25 8  o 18.10412 2.065423  3.596010       0.7200117 3.710367       0.9570495 3.446877       1.092926  1.183146       4.130845  
1 1 1 31 25 9  o 8.528515 2.454395  0.3660412      0.6880637 -0.2058225     0.9530684 0.9885600      0.9943839 -2.733862      4.908789  
1 1 1 31 25 10 o 6.412481 2.979334  -0.5630155     0.9204916 -0.5630155     0.9204916 ?              ?         ?              ?         
1 1 1 31 25 11 o 8.904951 2.723453  0.3394223      0.9136508 0.8502539      1.091261  -0.8580765     1.670811  1.195282       5.446906  
1 1 1 31 25 12 o 8.896212 4.134729  0.000000       0.000000  ?              ?         -0.1713427     1.774804  ?              ?         
1 1 1 31 26 0  o 12.01458 4.035657  2.253903       1.062586  2.254367       1.913161  2.253696       1.277795  0.000000       0.000000  
1 1 1 31 26 1  o 24.51944 1.987600  6.200243       0.9666718 7.427202       1.450587  5.220087       1.296512  4.380512       3.975200  
1 1 1 31 26 2  o 7.315282 2.311916  -0.3360533     0.6686912 -0.5180184     0.8404346 -0.2212228E-01 1.103893  -1.913576      4.623833  
1 1 1 31 26 3  o 9.012004 2.570401  0.4255414      0.7349746 -0.6380838E-01 1.082448  0.8441288      1.001130  -1.758923      5.140801  
1 1 1 31 26 4  o 14.15416 2.575531  2.281368       0.7254203 2.491155       0.9152057 1.926811       1.189795  1.939161       5.151062  
1 1 1 31 26 5  o 9.697168 2.651590  0.7873985      0.7433589 1.067193       0.9565920 0.3608735      1.181081  1.165726       5.303180  
1 1 1 31 26 6  o 15.79131 2.474342  2.832058       0.7647363 3.503027       1.114644  2.235356       1.051148  3.810285       4.948684  
1 1 1 31 26 7  o 5.876965 2.009593  -1.379199      0.7090268 -1.331418      0.9307727 -1.445259      1.094418  -0.5485654     4.019185  
1 1 1 31 26 8  o 9.421991 2.574919  0.7449173      0.7257825 1.252015       0.9797785 0.1283070      1.080407  2.441922       5.149838  
1 1 1 31 26 9  o 8.352365 2.509283  0.2061884      0.7802005 0.7982105      0.9573059 -0.9649068     1.346412  1.830953       5.018566  
1 1 1 31 26 10 o 7.869673 2.595931  -0.3717889     0.8339894 -0.2797150     0.9372548 -0.7219142     1.827685  -1.957114      5.191862  
1 1 1 31 26 11 o 8.077337 2.644227  -0.4591078     1.006830  0.1233302      1.192482  -1.905130      1.878946  0.3953004      5.288454  
1 1 1 31 27 0  o 26.01688 2.261572  7.086318       1.114176  7.377951       1.862665  6.923837       1.390330  0.000000       0.000000  
1 1 1 31 27 1  o 16.34313 2.465453  3.104141       0.8114609 1.556325       1.210672  4.366674       1.093423  -8.330050      4.930906  
1 1 1 31 27 2  o 8.456861 2.562211  0.7518686E-01  0.7589157 -0.4956575E-01 0.9767522 0.2652244      1.205534  -1.383192      5.124423  
1 1 1 31 27 3  o 11.62514 2.815796  0.9772618      0.8676530 2.641015       1.388340  -0.8900566E-01 1.111436  6.965015       5.631592  
1 1 1 31 27 4  o 15.11226 2.817343  2.619352       0.8155149 2.565553       0.9739849 2.745521       1.491574  -0.1048088E-02 5.634686  
1 1 1 31 27 5  o 7.634027 2.424783  -0.3393589     0.7809404 0.4028378E-01  1.099528  -0.7258292     1.109371  1.142110       4.849566  
1 1 1 31 27 6  o 8.713278 2.500922  0.2957016      0.7222027 -0.4036611     0.9861681 1.104596       1.060585  -3.383876      5.001845  
1 1 1 31 27 7  o 10.67726 2.799393  1.167346       0.8054262 0.8452939      1.143596  1.484322       1.134548  -1.597048      5.598786  
1 1 1 31 27 8  f 13.31318 2.667248  2.124906       0.7422267 2.184777       1.021675  2.057993       1.080094  0.4632053      5.334496  
1 1 1 31 27 9  o 7.273557 2.353014  -0.4977468     0.7672549 -0.9680231     1.023667  0.1051148      1.159020  -1.972423      4.706028  
1 1 1 31 27 10 o 11.54450 3.214778  1.540529       1.037241  1.527431       1.236958  1.571554       1.903763  -0.5265217     6.429556  
1 1 1 31 27 11 o 9.526568 3.019271  0.4529714      1.185528  0.6806730E-01  1.591545  0.9327535      1.776907  -1.376951      6.038542  
1 1 1 31 28 0  o 8.420892 3.749909  0.2676595      1.189968  1.853213       2.192163  -0.3947232     1.416892  0.000000       0.000000  
1 1 1 31 28 1  o 8.460224 2.557476  0.1319354      0.7793929 -0.2711021     1.177253  0.4464325      1.039932  -0.8874540     5.114952  
1 1 1 31 28 2  o 22.42582 1.996948  5.385263       0.8691311 5.516622       1.114092  5.181014       1.389223  1.055136       3.993895  
1 1 1 31 28 3  o 14.64470 3.268202  2.443123       1.025373  2.057822       1.258265  3.204821       1.769145  -2.752379      6.536404  
1 1 1 31 28 4  o 8.750004 2.599254  0.3517737      0.7710344 0.5229444      1.012338  0.1153067      1.189861  0.2982950      5.198509  
1 1 1 31 28 5  o 12.40027 2.676532  1.818408       0.7494559 2.240186       0.9894155 1.250639       1.147948  2.987874       5.353064  
1 1 1 31 28 6  o 12.94183 2.965546  1.985205       0.8837835 2.290934       1.257622  1.686910       1.242237  1.671552       5.931092  
1 1 1 31 28 7  f 7.449263 2.384984  -0.3173084     0.7558891 -0.4061117     0.9904822 -0.1934592     1.169712  -0.9354086     4.769969  
1 1 1 31 28 8  o 12.23126 2.772514  1.841686       0.7757806 2.076751       1.063568  1.574428       1.134060  1.528348       5.545028  
1 1 1 31 28 9  o 9.864408 2.939917  -0.9330043E-01 0.8933342 -0.8724435     1.020240  2.467159       1.849493  -7.012495      5.879835  
1 1 1 31 28 10 o 10.86564 3.026090  1.278524       1.052521  2.121357       1.368953  0.5997539E-01  1.646035  3.426025       6.052180  
1 1 1 31 29 0  o 8.654004 3.655503  0.5478782      1.015888  2.263278       1.936064  -0.1038663     1.193371  0.000000       0.000000  
1 1 1 31 29 1  o 19.95338 2.161418  4.308779       0.8613933 4.484225       1.207879  4.127208       1.228778  0.9223270      4.322837  
1 1 1 31 29 2  o 22.06958 1.979452  5.156379       0.8445509 4.987883       1.060410  5.448650       1.396599  -0.6219788     3.958903  
1 1 1 31 29 3  o 9.767343 2.699535  0.8295456      0.7707041 1.052471       1.038113  0.5557892      1.150395  0.9401379      5.399071  
1 1 1 31 29 4  o 28.39065 1.624693  8.472165       0.9213199 8.100586       1.313616  8.831909       1.292526  -1.310860      3.249386  
1 1 1 31 29 5  o 10.63623 2.678936  1.214168       0.7189451 1.134943       0.9858240 1.304174       1.050764  -0.5475149     5.357872  
1 1 1 31 29 6  o 11.74582 2.845958  1.599863       0.7992225 1.719950       1.232490  1.512724       1.049886  0.6351938      5.691915  
1 1 1 31 29 7  o 10.13038 2.747090  0.9497317      0.8128135 1.627985       1.178757  0.3348891      1.122304  3.062404       5.494181  
1 1 1 31 29 8  o 10.72961 2.826037  1.061590       0.7931221 0.5199871      0.9707469 2.148995       1.375502  -4.364208      5.652073  
1 1 1 31 29 9  o 10.43079 2.959149  -0.3022885     1.070289  -2.125113      1.331535  3.025505       1.799112  -8.310789      5.918299  
1 1 1 31 29 10 o 8.317001 2.733752  -0.3432508     1.047172  -0.6307115     1.297196  0.1945317      1.774270  -1.945371      5.467504  
1 1 1 31 30 0  o 17.07294 4.522716  3.991050       1.445994  6.548712       2.516457  2.730265       1.766803  0.000000       0.000000  
1 1 1 31 30 1  o 11.83958 2.907057  1.570280       0.8366718 1.419067       1.107332  1.771458       1.277239  -1.056375      5.814113  
1 1 1 31 30 2  o 22.47065 1.904793  5.516445       0.8325130 6.280022       1.116628  4.560797       1.249197  3.990210       3.809585  
1 1 1 31 30 3  o 16.02106 2.651642  3.041572       0.8474805 2.249820       1.212854  3.796968       1.184680  -4.596384      5.303285  
1 1 1 31 30 4  o 13.22350 2.684863  2.079556       0.7452090 2.073861       1.010869  2.086335       1.102904  0.3806019E-01  5.369726  
1 1 1 31 30 5  o 22.25066 1.679403  5.258907       0.7453597 5.751623       1.065436  4.786622       1.043113  2.139288       3.358806  
1 1 1 31 30 6  o 9.204971 2.778213  0.4825931      0.8838420 0.7674117      1.056333  -0.1822377     1.613883  0.3149872      5.556426  
1 1 1 31 30 7  o 10.52376 2.811262  1.217056       0.7981534 1.281158       1.004130  1.107052       1.315394  0.9585667E-01  5.622523  
1 1 1 31 30 8  o 10.76912 2.763207  1.347742       0.7630674 1.276445       1.008368  1.443280       1.167267  -0.5397320     5.526415  
1 1 1 31 30 9  o 11.46939 3.420130  1.655282       1.329894  2.072777       2.034875  1.344001       1.757066  1.218846       6.840261  
1 1 1 31 31 0  o 9.235104 3.791034  0.8716426      0.9953119 2.608107       2.031368  0.3230692      1.141755  0.000000       0.000000  
1 1 1 31 31 1  o 10.87517 2.739368  1.198208       0.7971431 1.929237       1.126260  0.4643933      1.128404  3.727514       5.478736  
1 1 1 31 31 2  o 10.48100 2.807109  0.9463944      0.8680386 1.851885       1.237039  0.6804565E-01  1.218358  3.952471       5.614217  
1 1 1 31 31 3  o 6.876174 2.235523  -0.6684331     0.7351853 0.7203298E-02  0.9962979 -1.476153      1.089339  1.635948       4.471045  
1 1 1 31 31 4  o 9.254444 2.642881  0.6643201      0.7555072 0.8471026      1.097999  0.4999707      1.041163  0.9063120      5.285762  
1 1 1 31 31 5  o 10.44087 2.754470  0.7166820      0.8456322 2.350609       1.349104  -0.3407148     1.085296  6.188418       5.508940  
1 1 1 31 31 6  o 14.67177 2.609357  2.576402       0.7645819 2.152668       1.017316  3.126442       1.159062  -2.793117      5.218713  
1 1 1 31 31 7  o 10.83690 2.661811  1.246846       0.7604509 0.4348303      1.033755  2.204454       1.122612  -4.725850      5.323623  
1 1 1 31 31 8  o 10.25605 3.052472  0.7702034      0.9708580 0.2978041      1.144600  1.981667       1.832966  -3.767438      6.104944  
1 1 1 31 31 9  o 9.910674 3.105874  0.7068806      1.185207  0.4545895      1.497479  1.129927       1.939116  -1.459404      6.211748  
1 1 1 31 32 0  o 6.616876 3.167049  -0.1953272     1.128752  -1.240106      2.197796  0.1789833      1.315501  0.000000       0.000000  
1 1 1 31 32 1  o 10.53285 3.006793  0.8850546      1.024513  0.5506630E-01  1.504455  1.602808       1.399042  -2.653571      6.013586  
1 1 1 31 32 2  o 17.41535 2.386112  3.429847       0.8126196 2.876192       1.094639  4.109560       1.212869  -3.600596      4.772223  
1 1 1 31 32 3  o 12.54366 2.794963  1.889096       0.7908965 2.366229       1.170501  1.488245       1.072860  2.553218       5.589925  
1 1 1 31 32 4  o 7.878151 2.570015  -0.4857247     0.9033129 -0.2203631     1.498993  -0.6370366     1.131923  1.595128       5.140029  
1 1 1 31 32 5  f 13.13641 2.693300  2.172359       0.7985193 2.898061       1.079252  1.294563       1.186972  4.794359       5.386599  
1 1 1 31 32 6  o 13.53717 2.823744  2.372981       0.8162820 2.543021       1.017808  2.066445       1.366566  1.854822       5.647488  
1 1 1 31 32 7  o 10.41548 2.758413  1.253894       0.7995806 1.622045       1.058135  0.7638662      1.220781  1.943795       5.516826  
1 1 1 31 32 8  o 8.521886 2.820675  -0.4275280     1.113689  -0.7617666     1.347761  0.2919940      1.977455  -2.352215      5.641349  
1 1 1 31 33 0  o 13.81007 5.310230  2.908002       1.381704  2.908002       1.381704  2.908002       1.381704  0.000000       0.000000  
1 1 1 31 33 1  f 14.86092 2.699841  2.735657       0.8206953 3.306485       1.153220  2.149901       1.168202  3.536309       5.399683  
1 1 1 31 33 2  o 11.54834 2.854664  1.394205       0.9323683 2.687034       1.302342  0.3487754E-01  1.335416  5.870858       5.709328  
1 1 1 31 33 3  o 10.08258 2.744387  0.9837120      0.8034858 1.534141       1.161876  0.4792135      1.112343  2.534711       5.488773  
1 1 1 31 33 4  f 8.289304 2.577176  0.1390171      0.8274391 -0.9840693E-01 1.252692  0.3227802      1.102075  -0.2944832     5.154352  
1 1 1 31 33 5  o 9.702917 2.664068  0.8645803      0.8095469 1.534381       1.039343  -0.1685986     1.290844  3.109887       5.328136  
1 1 1 31 33 6  o 12.88609 2.905457  2.151273       0.8335440 1.948081       1.089259  2.438399       1.294835  -1.159101      5.810913  
1 1 1 31 33 7  o 8.216265 2.580958  0.2051368      0.8482894 0.3109531      1.149593  0.7864393E-01  1.256900  0.1265955      5.161916  
1 1 1 31 34 0  o 8.479418 3.794775  0.9836169      1.178793  0.5577161      2.721888  1.081939       1.307800  0.000000       0.000000  
1 1 1 31 34 1  o 7.405453 2.378448  -0.2859152     0.7733442 -0.2613605E-01 1.037589  -0.6105838     1.159961  0.4638295      4.756896  
1 1 1 31 34 2  o 8.328409 2.571086  0.3920035E-01  0.8186876 0.7857198      1.248786  -0.5234904     1.084182  2.608815       5.142171  
1 1 1 31 34 3  o 8.510159 2.611324  0.2709673      0.8278794 -0.1609578     1.317362  0.5528897      1.064304  -0.5776777     5.222648  
1 1 1 31 34 4  o 9.234965 2.682318  0.7009387      0.7938470 0.8111917      1.058586  0.5592604      1.200004  0.2522717      5.364637  
1 1 1 31 34 5  o 8.559329 2.587415  0.7312466E-01  0.8048535 -0.7274467     1.022324  1.378249       1.305313  -4.233995      5.174830  
1 1 1 31 34 6  o 8.430834 2.603454  0.2184756      0.8817860 0.9272128      1.167846  -0.7214191     1.344877  2.102282       5.206908  
1 1 1 31 35 0  o 24.57187 3.510621  6.372241       1.230101  9.338114       2.879460  5.710140       1.360494  0.000000       0.000000  
1 1 1 31 35 1  o 14.85824 2.585723  2.697912       0.7697087 2.224368       1.066177  3.213364       1.112355  -3.001976      5.171447  
1 1 1 31 35 2  f 20.52537 2.216782  4.780965       0.9064791 4.334714       1.221931  5.327106       1.351793  -2.119915      4.433564  
1 1 1 31 35 3  o 12.33084 2.740596  1.894873       0.7927448 2.796021       1.172612  1.136312       1.075848  4.682385       5.481193  
1 1 1 31 35 4  o 8.055645 2.565036  0.4049426E-02  0.8474419 -0.2649014     1.082333  0.4301564      1.362335  -1.700436      5.130071  
1 1 1 31 35 5  o 9.151921 2.932516  -0.3319497     1.164022  1.663488       1.869958  -1.594306      1.487318  4.370326       5.865033  
1 1 1 31 36 0  o 9.567464 4.066798  1.582723       1.139558  2.399318       2.713317  1.407836       1.255669  0.000000       0.000000  
1 1 1 31 36 1  o 11.24163 2.835957  1.665839       0.8072870 1.799805       1.146880  1.534277       1.136543  0.7018061      5.671914  
1 1 1 31 36 2  o 8.128023 2.584932  0.7256769E-01  0.8827845 -0.1574107     1.346762  0.2458218      1.168931  -0.1692181     5.169864  
1 1 1 31 36 3  o 10.57101 2.805944  1.078660       0.8657238 0.7705786E-01  1.127304  2.518572       1.351641  -5.452474      5.611888  
1 1 1 32 0  0  o 15.51388 8.351691  3.605377       3.541122  3.605377       3.541122  3.605377       3.541122  0.000000       0.000000  
1 1 1 32 0  1  o 24.18323 2.574778  5.964330       1.155985  5.325929       1.445575  7.096680       1.925238  0.000000       0.000000  
1 1 1 32 0  2  o 19.01389 3.784458  4.499947       1.280443  5.956556       1.868697  3.210785       1.758009  0.000000       0.000000  
1 1 1 32 0  3  o 5.980006 2.875834  -0.5992196     0.9999219 -0.9275781E-01 1.236233  -1.557502      1.700488  0.000000       0.000000  
1 1 1 32 0  4  o 9.544119 3.439048  1.231489       0.9803224 2.173584       1.274649  -0.1326623     1.533820  0.000000       0.000000  
1 1 1 32 0  5  f 5.765835 2.828592  -0.8834898     1.021654  -0.5094741     1.228104  -1.724010      1.841045  0.000000       0.000000  
1 1 1 32 0  6  o 11.45886 3.097049  1.681285       0.9748070 3.395579       1.308015  -0.4603002     1.461968  0.000000       0.000000  
1 1 1 32 0  7  o 8.472710 3.546619  0.7507733      0.9965066 0.3298265      1.253932  1.472329       1.641705  0.000000       0.000000  
1 1 1 32 0  8  o 8.974644 3.803261  0.7251122      1.348562  -1.314838      2.304148  1.787973       1.663179  0.000000       0.000000  
1 1 1 32 0  9  o 27.58469 3.391120  8.557937       1.618408  8.527685       2.699776  8.574905       2.021986  0.000000       0.000000  
1 1 1 32 0  10 o 17.47712 4.324250  3.963637       1.296849  5.069735       2.303262  3.450208       1.569231  0.000000       0.000000  
1 1 1 32 0  11 o 11.58616 4.675947  2.143094       1.689147  1.468332       2.843873  2.510900       2.099638  0.000000       0.000000  
1 1 1 32 0  12 o 10.08105 4.236598  1.201281       1.672457  -1.201905      2.760782  2.594494       2.102070  0.000000       0.000000  
1 1 1 32 0  13 o 7.291208 3.610262  -1.201191      1.654026  -0.6951109     2.942663  -1.434929      1.999839  0.000000       0.000000  
1 1 1 32 0  14 o 15.42957 7.482349  4.509426       2.677624  4.509426       2.677624  4.509426       2.677624  0.000000       0.000000  
1 1 1 32 0  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 1  0  o 16.93571 4.332140  3.949385       1.374716  3.277639       2.010849  4.538843       1.883663  0.000000       0.000000  
1 1 1 32 1  1  o 29.44132 1.520012  8.642908       0.8897641 7.644089       1.187874  9.919612       1.342987  -3.832478      3.040025  
1 1 1 32 1  2  o 25.74976 1.617012  6.747109       0.8092124 6.903986       1.036274  6.501961       1.295417  0.8409233      3.234025  
1 1 1 32 1  3  o 9.676594 2.663253  0.5832937      0.7478210 0.2766548      1.022453  0.9360145      1.096592  -1.817093      5.326507  
1 1 1 32 1  4  o 16.23614 2.555662  2.845676       0.7781416 2.914636       0.9611009 2.714455       1.325776  0.8022690      5.111324  
1 1 1 32 1  5  o 13.51661 2.546218  1.957919       0.7008637 2.011157       0.9888467 1.904178       0.9935117 0.3543673      5.092437  
1 1 1 32 1  6  o 11.81445 2.333971  1.359114       0.5217835 1.805142       1.018461  1.200377       0.6075790 2.354189       4.667942  
1 1 1 32 1  7  o 7.311792 1.920366  0.4210093      0.3788145 0.5488575      0.5170950 0.2729203      0.5565246 0.8597374      3.840732  
1 1 1 32 1  8  o 8.885449 2.389079  0.5871477      0.3719120 0.5982894      0.3865198 0.4480469      1.365720  -2.493203      4.778158  
1 1 1 32 1  9  o 23.58878 2.365320  5.768850       1.111086  5.164460       1.497321  6.509456       1.657484  -2.741934      4.730640  
1 1 1 32 1  10 o 11.82026 3.007929  1.333624       0.9248185 0.8737038      1.328899  1.765569       1.287849  -2.106956      6.015857  
1 1 1 32 1  11 o 14.24885 3.287006  2.174522       1.181487  3.385058       1.602428  0.7325418      1.748917  5.743429       6.574012  
1 1 1 32 1  12 o 19.57195 3.006564  4.432963       1.192410  2.651758       1.649149  6.384337       1.726128  -9.228758      6.013127  
1 1 1 32 1  13 o 9.695551 2.981927  -0.2526629     1.167384  1.309172       1.661356  -1.775900      1.640699  4.029101       5.963853  
1 1 1 32 1  14 o 11.94396 3.813042  0.2682117      1.950495  1.905537       2.944381  -1.012190      2.603752  3.180249       7.626085  
1 1 1 32 1  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 1  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 2  0  o 11.26844 4.294126  1.843899       1.376018  1.125704       1.991769  2.499653       1.903216  0.000000       0.000000  
1 1 1 32 2  1  o 32.80525 1.340044  10.83083       0.8782880 10.96610       1.274914  10.70864       1.211671  0.3807564      2.680089  
1 1 1 32 2  2  o 40.74235 1.148768  16.66538       0.9293433 16.48108       1.238968  16.90247       1.405264  -0.4889107     2.297536  
1 1 1 32 2  3  o 28.06237 1.374860  7.946317       0.7715049 7.989668       1.102554  7.904725       1.079942  0.1460190      2.749721  
1 1 1 32 2  4  o 19.90725 2.131490  3.941501       0.8140215 3.672244       1.002777  4.461776       1.393917  -1.830263      4.262980  
1 1 1 32 2  5  o 20.09550 1.544697  4.270478       0.5572691 3.665472       1.007934  4.536835       0.6687822 -2.264833      3.089393  
1 1 1 32 2  6  o 16.38074 1.991872  2.825745       0.5550733 2.734205       1.082302  2.858417       0.6465843 -0.8635416     3.983743  
1 1 1 32 2  7  o 27.20208 1.214381  7.330721       0.5986447 7.788994       1.129585  7.151736       0.7059346 1.061756       2.428763  
1 1 1 32 2  8  o 23.17674 2.081478  6.326463       0.6176806 6.633281       0.6714011 4.636065       1.575926  5.002701       4.162956  
1 1 1 32 2  9  o 46.18671 1.490733  21.74788       1.368397  24.89725       1.959304  18.74881       1.911977  6.635906       2.981466  
1 1 1 32 2  10 o 17.31471 4.004234  1.940886       1.207029  1.207718       1.294116  6.844858       3.346922  -11.72455      8.008469  
1 1 1 32 2  11 o 9.346097 2.974840  -0.6340541     1.176864  -1.284988      1.591944  0.1503963      1.747600  -2.229826      5.949680  
1 1 1 32 2  12 o 15.91612 3.451152  3.070189       1.203709  3.225043       1.625297  2.882067       1.791401  0.9194794      6.902303  
1 1 1 32 2  13 o 19.27369 3.233322  4.613302       1.215957  4.754311       1.584218  4.411119       1.896980  1.480133       6.466644  
1 1 1 32 2  14 o 15.99432 4.408331  3.829730       2.032201  3.649042       2.827042  4.022932       2.923307  -0.5160904     8.816663  
1 1 1 32 2  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 2  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 3  0  o 30.47598 2.491253  9.727927       1.472036  8.307074       2.017610  11.34508       2.152476  0.000000       0.000000  
1 1 1 32 3  1  f 27.63123 1.449201  7.660977       0.7989020 7.077284       1.087212  8.346063       1.177861  -2.277447      2.898402  
1 1 1 32 3  2  o 26.56794 1.585658  7.104787       0.8369728 6.884284       1.113825  7.390795       1.268523  -0.9158115     3.171316  
1 1 1 32 3  3  o 22.99258 1.622865  5.349254       0.7437648 5.973283       1.072660  4.771422       1.032191  2.602077       3.245729  
1 1 1 32 3  4  o 17.44803 1.948994  3.331273       0.6148949 2.598992       1.013276  3.758129       0.7736230 -3.675261      3.897989  
1 1 1 32 3  5  o 11.80111 2.287245  1.246496       0.5272385 2.204411       0.9874292 0.8644760      0.6235704 5.056225       4.574490  
1 1 1 32 3  6  o 21.96079 1.507424  5.123490       0.5948440 4.327767       1.068863  5.480511       0.7159602 -2.733206      3.014848  
1 1 1 32 3  7  o 18.41459 1.576501  3.079980       0.5414118 4.531913       1.017012  2.505764       0.6395728 5.370285       3.153002  
1 1 1 32 3  8  f 36.14176 1.448332  12.67840       0.8912995 12.18224       1.012493  14.38674       1.878738  -2.740269      2.896664  
1 1 1 32 3  9  o 33.44209 1.776834  11.42804       1.179757  11.13376       1.567930  11.81207       1.791114  -0.9005661     3.553668  
1 1 1 32 3  10 o 16.06641 3.942811  2.267369       1.202677  1.887527       1.306381  4.378892       3.080109  -5.743059      7.885623  
1 1 1 32 3  11 o 13.58514 3.202504  2.036154       1.075640  2.716590       1.386071  1.005960       1.705498  3.687704       6.405009  
1 1 1 32 3  12 o 13.11250 3.207823  1.514998       1.189087  -0.2925525     1.654611  3.445599       1.710003  -7.405355      6.415647  
1 1 1 32 3  13 o 10.29261 3.141262  0.3833485      1.187178  -0.6394150E-01 1.624960  0.8954158      1.738648  -1.653433      6.282524  
1 1 1 32 3  14 o 12.13992 3.839455  0.6859953      1.931263  1.768216       2.798399  -0.2981993     2.668654  2.210866       7.678909  
1 1 1 32 3  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 3  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 4  0  o 25.54179 3.085343  7.105513       1.450301  7.262329       2.038787  6.944871       2.063506  0.000000       0.000000  
1 1 1 32 4  1  o 22.24702 1.781056  5.026433       0.7903657 5.260310       1.096590  4.773596       1.140175  1.105198       3.562113  
1 1 1 32 4  2  o 22.46465 1.809714  5.153316       0.8053473 5.399530       1.083758  4.849690       1.203496  1.258205       3.619429  
1 1 1 32 4  3  o 20.01082 1.904041  4.090059       0.7596431 4.374183       1.061908  3.792277       1.087131  1.462606       3.808082  
1 1 1 32 4  4  o 20.74893 1.614661  4.565628       0.6366000 3.525594       0.9955427 5.285073       0.8280085 -4.287518      3.229323  
1 1 1 32 4  5  o 10.64623 2.510843  1.142763       0.5612355 0.6739772      1.288810  1.252463       0.6234535 -0.4405699     5.021686  
1 1 1 32 4  6  o 10.23956 2.414992  0.8656144      0.5426933 1.554264       1.018375  0.5924849      0.6413469 3.899202       4.829984  
1 1 1 32 4  7  o 10.26003 2.246416  1.140181       0.5278221 0.4166038      0.9643328 1.449674       0.6306815 -2.832330      4.492831  
1 1 1 32 4  8  o 13.81726 2.902553  1.549930       0.7595674 1.060010       0.8574098 3.336527       1.637341  -6.941606      5.805106  
1 1 1 32 4  9  o 32.50546 1.855155  10.71255       1.192449  9.938350       1.553178  11.82404       1.861014  -2.737461      3.710309  
1 1 1 32 4  10 o 13.07366 3.995079  0.1107889E-01  1.773578  -0.9699828     2.106466  2.400331       3.287285  -6.015160      7.990158  
1 1 1 32 4  11 o 13.81107 3.588052  1.671392       1.375821  3.236845       2.052935  0.3950541      1.853693  5.513351       7.176104  
1 1 1 32 4  12 o 11.26310 3.253542  0.4851845      1.201799  -0.6037239     1.545365  2.151512       1.911681  -5.129813      6.507084  
1 1 1 32 4  13 o 16.65390 3.201394  3.210663       1.263907  0.9795994      1.713058  5.876142       1.872422  -10.85428      6.402789  
1 1 1 32 4  14 o 12.26927 5.413845  0.000000       0.000000  ?              ?         1.094668       2.595351  ?              ?         
1 1 1 32 4  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 4  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 5  0  o 7.808039 3.593440  -0.1032053     1.306490  -0.7256367     1.744465  0.6918880      1.971631  0.000000       0.000000  
1 1 1 32 5  1  o 23.19017 1.569797  5.421410       0.7268046 5.204422       0.9926841 5.672128       1.067055  -0.9903812     3.139595  
1 1 1 32 5  2  o 24.73261 1.719827  6.073077       0.8329470 4.549099       1.101344  8.109712       1.273182  -7.148954      3.439655  
1 1 1 32 5  3  o 23.26712 1.722508  5.470948       0.7602248 3.393471       1.017932  8.091079       1.143174  -10.05731      3.445015  
1 1 1 32 5  4  o 24.03473 1.404071  5.908642       0.6650333 5.295899       0.9965597 6.400595       0.8929464 -2.324535      2.808142  
1 1 1 32 5  5  o 23.55400 1.564052  5.042973       0.5995799 6.684121       1.391929  4.669084       0.6643772 4.042976       3.128104  
1 1 1 32 5  6  o 35.12926 1.036974  12.18635       0.6851603 13.10322       1.212374  11.75610       0.8305019 1.834488       2.073948  
1 1 1 32 5  7  f 15.88803 1.828558  2.232354       0.5278838 3.911670       0.9965267 1.577318       0.6223796 7.379793       3.657117  
1 1 1 32 5  8  o 10.26373 2.799215  0.8371488      0.7874217 1.149291       0.9026881 -0.1563114     1.610410  0.8773127      5.598429  
1 1 1 32 5  9  o 13.89347 4.404511  2.083998       1.370929  2.083998       1.370929  ?              ?         ?              ?         
1 1 1 32 5  10 o 12.30926 3.932157  -0.3916643     1.709622  -0.7575859     1.938187  0.8910983      3.628899  -4.945609      7.864314  
1 1 1 32 5  11 o 17.16583 3.455268  3.296997       1.329162  5.174133       1.967747  1.721831       1.802538  7.835002       6.910537  
1 1 1 32 5  12 o 19.52780 3.052878  4.778498       1.189207  6.002594       1.546472  3.007272       1.860250  7.913703       6.105755  
1 1 1 32 5  13 o 24.80046 2.548305  6.738331       1.237665  6.130179       1.572604  7.728036       2.006163  -2.486755      5.096610  
1 1 1 32 5  14 o 16.12480 6.285382  0.000000       0.000000  ?              ?         4.062482       2.922669  ?              ?         
1 1 1 32 5  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 5  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 6  0  o 8.440900 3.597466  0.8092583      1.069491  0.4791790      1.788756  0.9929054      1.334240  0.000000       0.000000  
1 1 1 32 6  1  o 9.658031 2.713314  0.4212725      0.8406096 -0.7095498     1.376992  1.093049       1.061321  -2.544008      5.426627  
1 1 1 32 6  2  o 22.91356 1.461455  4.973646       0.6317004 6.323956       1.143698  4.380869       0.7577756 4.139194       2.922909  
1 1 1 32 6  3  o 24.59595 1.531798  6.105080       0.7369984 4.523481       1.003137  7.960060       1.086380  -6.963120      3.063595  
1 1 1 32 6  4  o 14.43488 2.171743  2.113290       0.6230370 3.059451       0.9514500 1.403004       0.8243662 5.768699       4.343485  
1 1 1 32 6  5  o 16.09333 1.878421  2.589451       0.5823188 3.227864       0.9351162 2.185072       0.7442325 3.374970       3.756843  
1 1 1 32 6  6  o 9.601101 2.426728  0.8373313      0.5751203 0.6710472      0.9935853 0.9211165      0.7052832 -0.5622578E-01 4.853455  
1 1 1 32 6  7  o 33.99407 0.9901017 11.58855       0.6448113 11.77021       1.083565  11.48895       0.8023395 0.3507843      1.980203  
1 1 1 32 6  8  o 9.731674 2.715376  0.5368766      0.7438709 0.2924357      0.9085181 1.034044       1.295681  -2.833539      5.430752  
1 1 1 32 6  9  o 18.16572 2.820502  3.967225       1.070175  5.752029       1.400095  1.459113       1.659724  10.81003       5.641004  
1 1 1 32 6  10 o 11.42680 3.706089  -1.177743      1.769021  -1.872693      2.134413  0.3470623      3.161614  -4.280994      7.412178  
1 1 1 32 6  11 o 20.88510 3.304645  5.085445       1.352356  4.148943       1.935710  5.978375       1.890144  -4.309175      6.609289  
1 1 1 32 6  12 o 21.85927 2.861630  5.741942       1.177073  6.880964       1.554980  4.213444       1.801321  6.785427       5.723260  
1 1 1 32 6  13 o 11.60715 3.207785  1.342329       1.067441  1.473000       1.351875  1.125962       1.739574  0.1819258      6.415571  
1 1 1 32 6  14 o 17.68609 6.135414  0.000000       0.000000  ?              ?         4.938128       2.655396  ?              ?         
1 1 1 32 6  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 6  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 7  0  o 20.03504 3.266328  4.237700       0.8287955 5.275465       2.163478  4.059209       0.8972433 0.000000       0.000000  
1 1 1 32 7  1  o 11.91350 2.710939  1.306536       0.6486203 1.772351       1.340875  1.164242       0.7410960 2.613675       5.421878  
1 1 1 32 7  2  o 34.19488 1.101106  11.79004       0.7103717 11.69402       1.225628  11.83861       0.8717260 -0.2816772     2.202213  
1 1 1 32 7  3  o 16.19378 2.287024  2.769482       0.7120975 2.642945       0.9607902 2.923712       1.060726  -0.7980499     4.574048  
1 1 1 32 7  4  o 20.08092 1.596092  4.150539       0.6257864 3.766559       0.9705740 4.423738       0.8186788 -1.683031      3.192185  
1 1 1 32 7  5  o 26.72206 1.242083  7.293446       0.6473677 6.789520       1.015966  7.637904       0.8399701 -1.634094      2.484166  
1 1 1 32 7  6  f 32.63187 1.247356  10.78910       0.7198328 10.65800       1.387881  10.83735       0.8419264 -0.4147682     2.494712  
1 1 1 32 7  7  o 11.12435 2.297057  1.094357       0.5273002 2.006034       0.9537078 0.6929601      0.6328228 5.020568       4.594114  
1 1 1 32 7  8  o 17.70903 2.363034  3.421855       0.7733809 3.623486       0.9594697 3.047863       1.306724  2.165005       4.726068  
1 1 1 32 7  9  o 24.98683 1.584146  5.960940       0.7015142 5.530142       0.8082645 7.276361       1.412371  -3.222874      3.168292  
1 1 1 32 7  10 o 17.80430 3.299060  3.053683       1.394985  6.819931       2.182485  0.4521951      1.813876  13.39036       6.598120  
1 1 1 32 7  11 o 13.42946 3.487679  1.839545       1.193149  2.000693       1.444811  1.493983       2.115742  0.2244368      6.975358  
1 1 1 32 7  12 o 12.21848 3.317899  1.535214       1.124840  1.706470       1.394912  1.216802       1.902037  0.3578815      6.635797  
1 1 1 32 7  13 o 9.109158 2.911021  -1.001681      1.111368  -2.118572      1.375449  1.098929       1.886304  -5.091491      5.822043  
1 1 1 32 7  14 o 11.74138 5.288731  0.000000       0.000000  ?              ?         0.7948837      2.616097  ?              ?         
1 1 1 32 7  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 8  0  o 6.062099 2.850025  -0.4632076E-02 0.7475272 -0.9034647     1.772675  0.1897746      0.8244138 0.000000       0.000000  
1 1 1 32 8  1  o 7.795435 2.270360  0.1628380      0.5952034 -0.8063315     1.079402  0.5862802      0.7134778 -1.427418      4.540720  
1 1 1 32 8  2  f 8.462800 2.333260  0.4536113      0.5825025 -0.2869588E-01 0.9587548 0.7358165      0.7333785 -1.188806      4.666520  
1 1 1 32 8  3  o 10.65219 2.558032  0.9767637      0.6821804 0.3941357      0.9218363 1.682094       1.014272  -3.961818      5.116064  
1 1 1 32 8  4  o 27.56269 1.206842  7.588662       0.6452767 7.958048       1.060228  7.371331       0.8132426 1.003071       2.413685  
1 1 1 32 8  5  o 10.31598 2.333644  0.7867123      0.5433214 1.878396       0.9858385 0.3104706      0.6511351 5.822695       4.667288  
1 1 1 32 8  6  o 19.91130 1.883824  0.000000       0.000000  ?              ?         4.007652       0.7501878 ?              ?         
1 1 1 32 8  7  o 29.89096 1.279580  8.386486       0.6500388 10.29760       1.398247  7.859556       0.7342039 3.876291       2.559161  
1 1 1 32 8  8  o 23.81112 1.930139  5.911640       0.9058686 6.415548       1.219442  5.291173       1.353148  2.434542       3.860278  
1 1 1 32 8  9  o 18.40775 2.662583  3.379675       0.7971539 3.181514       0.8906883 4.177303       1.786967  -1.613102      5.325165  
1 1 1 32 8  10 o 16.61442 2.853940  2.732696       0.6658524 2.641850       0.7070209 3.445323       1.980213  -1.114342      5.707879  
1 1 1 32 8  11 o 11.08638 3.376022  0.3056020      1.211897  0.1597877      1.411073  0.7155232      2.365919  -3.010720      6.752044  
1 1 1 32 8  12 o 8.956406 2.864000  -0.5601718     1.085047  -1.172235      1.397026  0.3704101      1.722596  -2.836934      5.728000  
1 1 1 32 8  13 o 10.40971 3.133763  0.6025214      1.162588  1.024476       1.542747  0.4798402E-01  1.768591  1.056780       6.267527  
1 1 1 32 8  14 o 11.16486 3.647252  0.8657567E-01  1.926123  -0.4347491     2.824214  0.5399240      2.633658  -0.5957394     7.294503  
1 1 1 32 8  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 9  0  o 10.43833 2.830968  1.747243       0.7183106 -0.1134704E-01 1.490428  2.279304       0.8198028 0.000000       0.000000  
1 1 1 32 9  1  o 20.97741 2.396087  4.903798       0.7449518 4.135989       1.684254  5.090539       0.8306173 -2.971216      4.792175  
1 1 1 32 9  2  o 14.99475 1.886953  2.388013       0.5380976 3.230327       0.7650149 1.563216       0.7570181 5.745079       3.773906  
1 1 1 32 9  3  o 25.73805 1.285582  6.746600       0.6426312 6.412398       1.026619  6.961925       0.8240466 -1.117599      2.571165  
1 1 1 32 9  4  f 31.11229 1.114589  9.846678       0.6788004 9.260951       1.057839  10.25668       0.8850444 -1.641249      2.229178  
1 1 1 32 9  5  o 29.52341 1.169541  8.863041       0.6837338 7.572537       0.9792511 10.09066       0.9550927 -4.270508      2.339082  
1 1 1 32 9  6  o 18.78461 1.494826  3.609600       0.5526715 3.380260       0.8448647 3.781146       0.7306976 -1.104691      2.989651  
1 1 1 32 9  7  o 23.72453 1.279462  5.287981       0.5705433 6.913055       1.044476  4.596858       0.6811456 4.762966       2.558923  
1 1 1 32 9  8  o 23.33716 1.741771  5.663375       0.7913763 6.003233       1.028804  5.170862       1.238492  1.887028       3.483541  
1 1 1 32 9  9  f 9.226555 2.515008  0.6456375      0.6269252 0.6489004      0.7645149 0.6389389      1.095409  -0.9051809     5.030016  
1 1 1 32 9  10 o 9.705613 2.432045  0.9319254      0.5718001 1.130533       0.6531584 0.2803535      1.183045  1.146364       4.864091  
1 1 1 32 9  11 o 9.353871 2.996770  -0.4559486     1.043136  -0.5790229     1.202805  -0.8249936E-01 2.095208  -3.225759      5.993541  
1 1 1 32 9  12 o 8.365942 2.756196  -0.8749427     1.101080  -0.7284482     1.399188  -1.113228      1.784490  -0.6841745     5.512393  
1 1 1 32 9  13 o 18.33579 2.860687  4.191500       1.176151  7.036752       1.658884  1.315557       1.667808  13.51331       5.721373  
1 1 1 32 9  14 o 12.56046 3.710019  1.327356       1.725867  -1.033872      2.487435  3.519256       2.396587  -5.321915      7.420038  
1 1 1 32 9  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 10 0  o 20.21413 2.517590  4.156036       1.032153  4.156036       1.032153  4.156036       1.032153  0.000000       0.000000  
1 1 1 32 10 1  o 17.76992 2.154056  3.429013       0.6612152 2.977319       1.227515  3.613649       0.7848046 -2.267546      4.308111  
1 1 1 32 10 2  o 7.632035 2.138450  0.1855566      0.5268525 0.7291675      0.7274296 -0.4142204     0.7640851 2.764281       4.276900  
1 1 1 32 10 3  o 10.04542 2.293691  0.9834191      0.5321697 0.7064039      0.7226911 1.311563       0.7865625 -2.259299      4.587383  
1 1 1 32 10 4  o 33.19985 0.9458845 11.07775       0.6279041 10.74144       0.8788722 11.42840       0.8973988 -1.030811      1.891769  
1 1 1 32 10 5  o 10.07748 2.556190  0.9237290      0.6272195 0.7296501      1.141747  1.007615       0.7506291 0.1121273      5.112381  
1 1 1 32 10 6  o 10.17533 2.384146  1.016609       0.5530893 1.101192       0.8986446 0.9650314      0.7017476 0.8038807      4.768291  
1 1 1 32 10 7  o 21.13382 2.020590  4.927254       0.7329225 4.039223       1.325868  5.318020       0.8795183 -3.532791      4.041180  
1 1 1 32 10 8  o 22.54415 1.764234  5.120143       0.7883283 4.524206       1.034851  5.944144       1.216863  -3.057753      3.528469  
1 1 1 32 10 9  o 15.27850 2.274884  2.541155       0.6570218 2.557236       0.8327032 2.514632       1.069434  0.3843260      4.549767  
1 1 1 32 10 10 o 11.88090 2.303034  1.583173       0.5756907 1.905776       0.7512530 1.124225       0.8960529 2.756841       4.606068  
1 1 1 32 10 11 o 12.29767 3.250816  1.333778       1.065366  0.7792018      1.348376  2.255217       1.738056  -3.692506      6.501631  
1 1 1 32 10 12 o 12.68884 3.192844  1.865169       1.053906  2.388674       1.393423  1.165375       1.611045  2.626902       6.385688  
1 1 1 32 10 13 o 11.39950 3.377671  1.050099       1.203441  0.8713161      1.433523  1.476863       2.214805  -2.019104      6.755341  
1 1 1 32 10 14 o 19.44411 6.309093  0.000000       0.000000  ?              ?         6.218295       2.800983  ?              ?         
1 1 1 32 10 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 11 0  o 7.987811 3.036500  0.8267125      0.7808841 -0.3272564     1.300821  1.476838       0.9763807 0.000000       0.000000  
1 1 1 32 11 1  o 26.08745 1.113075  6.736985       0.5751233 5.632699       0.7628915 8.190840       0.8753510 -4.878536      2.226151  
1 1 1 32 11 2  f 24.77328 1.188100  6.186529       0.5882294 5.868338       0.8249745 6.515604       0.8389659 -1.302946      2.376201  
1 1 1 32 11 3  o 11.74960 2.219481  1.471372       0.5315453 1.448363       0.7433323 1.495450       0.7603952 -0.1816788     4.438962  
1 1 1 32 11 4  o 24.09033 1.291900  5.933325       0.6146072 6.666250       0.8441654 5.106574       0.8965715 3.251263       2.583799  
1 1 1 32 11 5  o 23.81143 1.344645  5.785814       0.6320023 5.348470       0.9522244 6.130157       0.8449357 -1.672630      2.689290  
1 1 1 32 11 6  o 23.75583 1.394571  5.727471       0.6573308 5.633957       0.9893269 5.801382       0.8795400 -0.3888073     2.789142  
1 1 1 32 11 7  o 27.87990 1.024575  7.672260       0.5647591 9.014157       0.8835282 6.745184       0.7343755 4.025736       2.049150  
1 1 1 32 11 8  o 34.39709 1.260761  11.98809       0.8621151 12.03537       1.159037  11.92954       1.289859  0.2005234      2.521521  
1 1 1 32 11 9  o 25.70499 1.677661  6.420922       0.7859851 5.917772       0.9213389 7.765976       1.506401  -3.225731      3.355322  
1 1 1 32 11 10 o 8.834030 2.428753  0.5852048      0.6195057 0.8311039      0.7584165 0.9215943E-01  1.073922  0.9093599      4.857506  
1 1 1 32 11 11 o 9.359445 2.419323  0.8319718      0.5645054 0.8650423      0.6787699 0.7577900      1.016603  -0.3808689     4.838646  
1 1 1 32 11 12 o 9.371178 2.930574  -0.3851531     1.064779  -1.213919      1.329423  1.097803       1.778326  -4.278337      5.861149  
1 1 1 32 11 13 o 14.17343 3.606387  2.651024       1.281210  2.917742       1.468499  1.800882       2.621764  1.968587       7.212774  
1 1 1 32 11 14 o 16.05865 5.963255  0.000000       0.000000  ?              ?         4.163984       2.550884  ?              ?         
1 1 1 32 11 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 12 0  o 6.068258 2.879448  -0.2527668     0.8338631 -0.7451496E-01 1.569683  -0.3228478     0.9842256 0.000000       0.000000  
1 1 1 32 12 1  o 9.201654 2.483838  0.5458212      0.6201112 0.9840235      1.038776  0.3031994      0.7729470 2.662099       4.967675  
1 1 1 32 12 2  o 24.95342 1.260570  6.297501       0.6240956 6.202062       0.9399381 6.372751       0.8346262 -0.3706112     2.521141  
1 1 1 32 12 3  o 17.39860 1.735841  3.221320       0.5637356 4.118458       0.7839322 2.260556       0.8112547 5.562379       3.471681  
1 1 1 32 12 4  o 8.828840 2.272773  0.6326982      0.5348070 0.9501100      0.7534300 0.3103498      0.7592665 1.983341       4.545546  
1 1 1 32 12 5  o 21.61186 1.377140  4.774958       0.5889058 4.261936       0.8662270 5.215862       0.8030354 -2.226463      2.754280  
1 1 1 32 12 6  o 9.931452 2.408760  0.9416702      0.5694391 1.053748       0.8949119 0.8654177      0.7381549 0.9310818      4.817521  
1 1 1 32 12 7  o 12.40347 2.106154  1.652353       0.5164204 1.753677       0.7451518 1.558708       0.7163565 0.7369652      4.212308  
1 1 1 32 12 8  o 8.777011 1.651618  0.8993083      0.3966664 -1.140117      0.8727044 1.430350       0.4453254 -6.190500      3.303237  
1 1 1 32 12 9  o 13.55150 2.492695  2.160515       0.6544637 2.420487       0.7480174 1.311844       1.351507  3.546707       4.985391  
1 1 1 32 12 10 o 15.30451 2.236816  2.688603       0.6338689 3.038862       0.7789609 2.002082       1.090557  3.776215       4.473632  
1 1 1 32 12 11 o 10.71705 2.842522  1.164339       0.6262866 1.301558       0.6490406 -0.6903805     2.386189  0.2396450      5.685045  
1 1 1 32 12 12 o 8.698794 2.852559  -0.1868038     0.8445392 -0.6510843E-01 0.9052560 -1.003796      2.345544  -2.787251      5.705119  
1 1 1 32 12 13 o 7.441326 3.406057  -0.4651446     1.149574  -0.4651446     1.149574  ?              ?         ?              ?         
1 1 1 32 12 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 12 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 13 0  o 6.440124 2.951810  0.1824021      0.7642086 -0.2151896     1.612791  0.2975187      0.8678176 0.000000       0.000000  
1 1 1 32 13 1  o 9.556475 2.565094  0.6937008      0.6752058 0.8436334      0.9949112 0.5656828      0.9193313 0.9657307      5.130188  
1 1 1 32 13 2  o 21.52486 1.356815  4.716294       0.5799225 5.203324       0.8054418 4.192033       0.8356612 2.357777       2.713629  
1 1 1 32 13 3  o 31.05416 1.020712  9.677076       0.6327953 9.284494       0.8637217 10.13196       0.9297358 -1.350283      2.041424  
1 1 1 32 13 4  o 13.10108 2.329760  1.927544       0.6084877 2.244133       0.7629152 1.374052       1.008749  2.982507       4.659519  
1 1 1 32 13 5  o 7.333838 2.241696  -0.5647898E-01 0.6017735 -0.4274828E-02 0.8219377 -0.1167908     0.8834617 -0.3109503E-01 4.483392  
1 1 1 32 13 6  o 12.60673 2.040321  1.664150       0.5011157 1.372136       0.6599037 2.061913       0.7701762 -2.582805      4.080642  
1 1 1 32 13 7  o 8.338068 2.194915  0.4827442      0.5325241 0.9690756      0.7034321 -0.1701540     0.8150397 2.833792       4.389830  
1 1 1 32 13 8  o 8.958532 2.219869  0.7653047      0.4852305 0.6784711      0.7837106 0.8192840      0.6179102 -0.9981537E-01 4.439738  
1 1 1 32 13 9  o 21.85118 1.722139  5.354994       0.6562013 5.994767       0.7903666 3.935544       1.177270  4.936316       3.444279  
1 1 1 32 13 10 f 15.59066 2.094436  2.230689       0.6066782 1.520587       0.7229773 3.920828       1.115386  -7.552690      4.188872  
1 1 1 32 13 11 o 11.31326 2.395343  1.503114       0.5892915 1.745736       0.7061803 0.9467109      1.069413  2.469645       4.790686  
1 1 1 32 13 12 o 8.420926 2.453727  0.3991417      0.6676076 0.5623468      0.9859958 0.2609800      0.9071983 0.9167924      4.907455  
1 1 1 32 13 13 o 13.08410 4.326355  2.161103       1.316926  2.161103       1.316926  ?              ?         ?              ?         
1 1 1 32 13 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 13 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 14 0  o 5.617121 2.703635  -0.4465693     0.7531260 0.1373276E-01  1.441009  -0.6195511     0.8833756 0.000000       0.000000  
1 1 1 32 14 1  o 14.47740 1.990006  2.217314       0.5543446 2.271568       0.7665829 2.157847       0.8025785 0.4259577      3.980013  
1 1 1 32 14 2  o 18.39020 1.608405  3.441712       0.5901697 3.587553       0.8190503 3.284225       0.8511253 0.8355885      3.216810  
1 1 1 32 14 3  o 26.33493 1.261682  7.003353       0.6643516 7.004929       0.9290503 7.001705       0.9503828 0.1198387E-01  2.523364  
1 1 1 32 14 4  o 30.71087 1.186046  9.652452       0.7053803 10.11207       0.9047163 8.939914       1.126463  1.967918       2.372092  
1 1 1 32 14 5  o 20.71365 1.390622  4.352425       0.5756490 4.410845       0.8018208 4.290288       0.8269418 0.2999096      2.781243  
1 1 1 32 14 6  f 5.678925 1.874242  -0.6645501     0.5237259 -0.6240442     0.7325165 -0.7069087     0.7490816 0.4741907E-01  3.748484  
1 1 1 32 14 7  o 9.155127 2.196944  0.7963630      0.4981968 0.4265182      0.7314789 1.116363       0.6804039 -2.276095      4.393888  
1 1 1 32 14 8  o 17.65910 1.467394  3.058697       0.5069988 4.093069       0.8124574 2.399003       0.6488343 4.706118       2.934787  
1 1 1 32 14 9  o 34.14038 1.501603  11.99900       1.020707  12.91741       1.419796  11.01659       1.468428  2.812584       3.003207  
1 1 1 32 14 10 o 8.749910 2.504035  0.3505149      0.7322198 0.9291285      0.9068508 -0.7332944     1.241132  2.229747       5.008070  
1 1 1 32 14 11 o 10.10995 2.562669  1.017118       0.6093460 0.9631692      0.7164060 1.158248       1.158720  -1.203794      5.125337  
1 1 1 32 14 12 o 9.610603 2.566309  0.7474126      0.7168519 0.7614292E-01  0.9857867 1.500745       1.044306  -3.619233      5.132617  
1 1 1 32 14 13 o 6.529298 3.140399  -1.344223      1.200914  -1.344223      1.200914  ?              ?         ?              ?         
1 1 1 32 14 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 15 0  o 15.77548 3.276212  2.851447       0.8226586 3.751274       1.579944  2.516747       0.9635864 0.000000       0.000000  
1 1 1 32 15 1  o 12.66294 2.331248  1.722719       0.5938023 1.781955       0.7873134 1.644567       0.9043187 0.4974604      4.662496  
1 1 1 32 15 2  o 7.296226 2.213553  -0.2198835     0.5982937 -0.7267979     0.7957156 0.4394459      0.9074897 -2.827133      4.427107  
1 1 1 32 15 3  o 41.57367 0.9587687 17.48520       0.7925617 18.83882       1.094135  15.99079       1.149626  3.437359       1.917537  
1 1 1 32 15 4  o 23.24469 1.478150  5.337515       0.6714392 6.169423       1.098715  4.841644       0.8482658 2.765440       2.956299  
1 1 1 32 15 5  o 18.87259 1.538914  3.603930       0.5784289 3.188256       0.7855087 4.096334       0.8549383 -2.376066      3.077828  
1 1 1 32 15 6  o 10.77860 2.231833  1.184739       0.5337981 0.7092956      0.7308116 1.728491       0.7815490 -3.757657      4.463667  
1 1 1 32 15 7  o 9.593501 2.204221  0.8452316      0.5260268 0.2569281      0.7351305 1.462517       0.7530204 -4.095776      4.408442  
1 1 1 32 15 8  o 18.27225 1.756664  3.600874       0.6018168 4.208557       0.8031402 2.822751       0.9088181 4.079052       3.513328  
1 1 1 32 15 9  o 19.80616 2.195921  4.109454       0.7947301 3.967178       0.9644393 4.410447       1.402775  -0.4332104     4.391843  
1 1 1 32 15 10 o 16.16300 2.763088  3.021503       0.8817566 3.108199       1.308578  2.949402       1.193356  0.3055248      5.526175  
1 1 1 32 15 11 o 15.47165 2.270770  2.826629       0.6259825 3.040411       0.7420621 2.299108       1.165667  3.163029       4.541540  
1 1 1 32 15 12 o 16.15980 2.499079  3.080458       0.7875956 3.570970       1.099651  2.563809       1.128569  3.107266       4.998159  
1 1 1 32 15 13 o 10.15766 4.117260  0.9598292      1.305647  0.9598292      1.305647  ?              ?         ?              ?         
1 1 1 32 15 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 16 0  o 11.17690 3.967926  1.941513       1.083100  1.784840       1.646772  2.060957       1.437864  0.000000       0.000000  
1 1 1 32 16 1  o 7.896081 2.312006  0.1713603      0.5893258 0.7868411E-02  0.7645101 0.4107721      0.9251412 -1.594997      4.624012  
1 1 1 32 16 2  o 21.18196 1.788942  4.159323       0.7213662 6.213794       1.277263  3.197078       0.8741239 6.953800       3.577884  
1 1 1 32 16 3  o 36.50211 0.9673033 13.36468       0.7049828 12.54703       0.9648532 14.30116       1.032582  -2.386852      1.934607  
1 1 1 32 16 4  o 27.96505 1.584878  8.073679       0.7712870 7.754302       1.510298  8.186359       0.8970875 -1.024431      3.169757  
1 1 1 32 16 5  o 8.427864 2.373572  0.2268372      0.6255838 0.9236102      0.9638641 -0.2803162     0.8223181 3.384138       4.747144  
1 1 1 32 16 6  o 8.423162 2.182067  0.3954627      0.5476329 1.151299       0.7652654 -0.3978638     0.7840147 4.163130       4.364133  
1 1 1 32 16 7  o 7.966872 2.230853  0.3112553      0.5455328 0.7516472      0.8010437 -0.6967056E-01 0.7450009 2.386607       4.461706  
1 1 1 32 16 8  o 13.51775 2.043894  1.967155       0.5363433 2.205426       0.7768643 1.750149       0.7413868 1.636021       4.087788  
1 1 1 32 16 9  o 25.48071 2.865147  6.591497       0.8754763 6.436902       0.9249298 7.922318       2.713747  -0.6788273     5.730293  
1 1 1 32 16 10 o 10.66285 2.647974  0.9170038      0.6561241 0.4961406      0.7712284 2.019786       1.248411  -4.988179      5.295948  
1 1 1 32 16 11 o 11.96873 2.683295  1.479296       0.6583878 1.229711       0.7702847 2.156051       1.268404  -2.926525      5.366590  
1 1 1 32 16 12 o 10.16510 2.793046  1.007606       0.8011161 1.107860       0.9983526 0.8263211      1.342498  0.9353065E-01  5.586091  
1 1 1 32 16 13 o 15.39816 5.112814  3.403611       1.839235  3.403611       1.839235  ?              ?         ?              ?         
1 1 1 32 16 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 17 0  o 9.708498 3.781905  1.196796       1.108837  2.198767       1.665144  0.3984843      1.486315  0.000000       0.000000  
1 1 1 32 17 1  o 37.28985 0.9806519 14.00273       0.7309716 13.53370       1.036860  14.46618       1.030668  -1.251770      1.961304  
1 1 1 32 17 2  o 28.98026 1.485354  8.362496       0.8328957 9.181203       1.389810  7.903681       1.040425  2.074717       2.970707  
1 1 1 32 17 3  o 23.81199 1.418451  5.782238       0.6611900 5.885756       0.8564914 5.629559       1.040175  0.6077690      2.836901  
1 1 1 32 17 4  o 8.083976 2.186406  0.7140537E-01  0.5780296 -0.8547380     0.7929361 1.121678       0.8444039 -4.841681      4.372812  
1 1 1 32 17 5  o 29.00087 1.318519  8.505263       0.7637404 8.050850       1.048576  9.018732       1.114632  -1.643984      2.637038  
1 1 1 32 17 6  o 17.65796 1.777388  3.178655       0.6196178 3.042264       0.8067218 3.374867       0.9675971 -0.8514271     3.554776  
1 1 1 32 17 7  o 10.72558 2.329876  1.185453       0.5687360 1.677779       0.8205981 0.7303552      0.7889625 3.323439       4.659752  
1 1 1 32 17 8  o 20.70240 1.396026  4.347251       0.5757490 4.873104       0.8572282 3.915091       0.7771179 2.268736       2.792052  
1 1 1 32 17 9  o 22.88423 1.323246  4.944813       0.5768905 7.830494       0.9666651 3.348568       0.7189547 9.641422       2.646492  
1 1 1 32 17 10 o 19.37132 3.225322  3.642816       0.8104007 3.397580       0.8517895 5.983921       2.631783  -2.788813      6.450645  
1 1 1 32 17 11 o 7.481082 2.380118  -0.2648927     0.6361238 -0.4329118     0.7295943 0.2677139      1.298989  -3.220898      4.760237  
1 1 1 32 17 12 o 11.02472 2.972502  1.306304       0.8815693 1.169969       1.098110  1.553468       1.478546  -1.233607      5.945004  
1 1 1 32 17 13 o 15.24918 5.126364  3.378767       1.848993  3.378767       1.848993  ?              ?         ?              ?         
1 1 1 32 17 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 18 0  o 7.090228 3.156636  0.3987552      0.8704934 0.1183436      1.601100  0.5164254      1.037179  0.000000       0.000000  
1 1 1 32 18 1  o 10.49239 2.410406  1.120053       0.5811662 1.261162       0.8256058 0.9814547      0.8182302 0.9645500      4.820812  
1 1 1 32 18 2  o 12.70158 2.339713  1.745202       0.6011412 1.841514       0.8466315 1.647275       0.8536965 0.6964130      4.679427  
1 1 1 32 18 3  o 19.76624 1.707763  4.099174       0.6513332 2.918930       0.9288745 5.240831       0.9135647 -5.880663      3.415527  
1 1 1 32 18 4  o 29.70299 1.128659  8.916793       0.6700765 9.027892       0.9349647 8.799461       0.9608269 0.3928490      2.257318  
1 1 1 32 18 5  o 17.83190 1.707406  3.261120       0.6079686 3.092335       0.8666110 3.424698       0.8531418 -0.9386578     3.414813  
1 1 1 32 18 6  o 14.21574 2.140606  2.214957       0.5895033 2.474657       0.8054659 1.915385       0.8650911 2.003458       4.281211  
1 1 1 32 18 7  o 10.77386 2.431366  1.221967       0.6064947 1.541583       0.8208191 0.8376489      0.9000756 2.235408       4.862732  
1 1 1 32 18 8  o 9.553144 2.310114  0.8953412      0.5369575 1.122831       0.7596457 0.6681781      0.7590997 1.540930       4.620228  
1 1 1 32 18 9  o 16.31689 1.717703  2.736254       0.5529522 3.126856       0.8736930 2.475255       0.7141860 1.837995       3.435407  
1 1 1 32 18 10 o 6.907504 2.317456  -0.9999422     0.7250951 -1.215517      0.8437883 -0.3912866     1.417817  -3.128866      4.634912  
1 1 1 32 18 11 o 10.39184 2.697791  1.049104       0.6818587 0.8586269      0.8088738 1.516812       1.267498  -2.348983      5.395582  
1 1 1 32 18 12 o 14.09315 3.124045  2.615902       0.9732257 2.755938       1.202071  2.349457       1.658110  1.527212       6.248090  
1 1 1 32 18 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 19 0  o 30.22223 1.873944  8.891639       1.019709  10.90275       1.949709  8.134397       1.196379  0.000000       0.000000  
1 1 1 32 19 1  o 38.67482 1.290286  14.82213       0.9254623 14.28353       1.107782  16.06655       1.683844  -2.093613      2.580572  
1 1 1 32 19 2  o 39.60807 1.049769  15.86629       0.8238835 16.11904       1.098267  15.54100       1.245951  0.7742310      2.099538  
1 1 1 32 19 3  o 29.41389 1.238429  8.785650       0.7223999 8.534016       1.085721  8.985549       0.9676916 -0.8089886     2.476858  
1 1 1 32 19 4  f 20.00149 1.732070  4.102687       0.6771170 4.118961       0.8715788 4.077912       1.075400  0.2038136      3.464140  
1 1 1 32 19 5  o 5.923133 1.960796  -0.7767474     0.5853664 -0.6724561     0.8191215 -0.8855963     0.8368287 0.2211928      3.921592  
1 1 1 32 19 6  o 8.292702 2.234251  0.2514707E-01  0.6259990 1.253703       0.8876114 -1.190674      0.8829989 5.285463       4.468502  
1 1 1 32 19 7  o 19.59454 1.674772  4.019576       0.6437704 4.350343       0.8561436 3.589231       0.9765502 2.022348       3.349544  
1 1 1 32 19 8  o 14.56080 2.378538  2.101595       0.6532516 3.299149       1.160233  1.545754       0.7904469 5.420392       4.757076  
1 1 1 32 19 9  o 19.35962 1.675261  3.720016       0.6265811 4.792146       1.069241  3.159288       0.7732636 3.910543       3.350522  
1 1 1 32 19 10 o 19.93297 2.139000  4.405992       0.7447314 4.480822       0.8881167 4.228727       1.366924  1.582981       4.277999  
1 1 1 32 19 11 o 17.58039 2.344669  3.718518       0.7060953 3.978573       0.8323819 3.051181       1.333405  3.748932       4.689337  
1 1 1 32 19 12 o 9.482582 2.825682  0.5962669      0.9201418 0.2778961      1.270805  0.9471164      1.334052  -1.338798      5.651363  
1 1 1 32 19 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 20 0  o 11.98313 3.043130  2.269018       0.9619542 -0.4292973     1.799521  3.348564       1.138233  0.000000       0.000000  
1 1 1 32 20 1  o 10.88631 2.674050  1.033673       0.7254102 0.5398790      0.9483126 1.730163       1.126253  -3.683882      5.348101  
1 1 1 32 20 2  o 18.02095 1.954972  3.314383       0.7005620 3.656552       1.062702  3.051393       0.9316678 1.606459       3.909944  
1 1 1 32 20 3  o 31.00746 1.242393  9.723523       0.7639006 9.845848       1.161427  9.630260       1.014129  0.2940788      2.484787  
1 1 1 32 20 4  o 9.385669 2.466168  0.5862594      0.6804367 -0.2432840     0.9845286 1.344845       0.9414800 -3.834261      4.932336  
1 1 1 32 20 5  o 25.16833 1.504151  6.773053       0.7219204 8.045027       0.9554068 5.080366       1.102143  5.968157       3.008302  
1 1 1 32 20 6  o 16.89886 2.197734  3.195737       0.6857120 3.556363       0.8635489 2.580284       1.128120  3.376462       4.395468  
1 1 1 32 20 7  o 14.92177 2.405908  2.460873       0.7072721 2.992053       1.001416  1.932194       0.9990559 3.418581       4.811815  
1 1 1 32 20 8  o 9.427504 2.437184  0.7972506      0.6236563 0.3343852      0.8892199 1.245349       0.8749202 -2.555676      4.874367  
1 1 1 32 20 9  o 6.758873 2.127746  -0.1829854     0.5755222 -0.2052573E-01 0.8671981 -0.3108608     0.7693768 0.9597354      4.255491  
1 1 1 32 20 10 o 11.25463 2.420079  1.498251       0.7163430 2.329231       0.8775854 -0.1608948     1.240042  6.087097       4.840159  
1 1 1 32 20 11 f 11.71494 2.663624  1.792430       0.7756435 2.260710       0.8754278 0.8240987E-01  1.672893  4.441022       5.327247  
1 1 1 32 20 12 o 9.442591 3.030489  -0.1359013E-01 1.238293  -0.3106966     1.657057  0.3621509      1.863484  -1.188416      6.060978  
1 1 1 32 20 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 21 0  o 6.613308 3.061406  -0.2112014     1.040612  -1.760989      1.769567  0.6080464      1.286586  0.000000       0.000000  
1 1 1 32 21 1  o 9.112872 2.489164  0.5896821      0.6536191 0.3064749      0.9449111 0.8495212      0.9050884 -1.300842      4.978327  
1 1 1 32 21 2  o 12.79144 2.315317  1.716448       0.6353657 0.8549877      0.8674990 2.713287       0.9331770 -6.234343      4.630634  
1 1 1 32 21 3  o 10.34607 2.585057  1.017840       0.6619338 0.8853567      0.8660631 1.203947       1.026479  -1.239730      5.170115  
1 1 1 32 21 4  o 15.06423 2.180218  2.512096       0.6403521 3.126741       0.8690808 1.782088       0.9471350 4.671534       4.360436  
1 1 1 32 21 5  o 8.043142 2.361098  0.2440273      0.6237648 0.2824258      0.8519722 0.1996646      0.9157501 -0.3861904E-01 4.722196  
1 1 1 32 21 6  o 26.51773 1.572271  7.447114       0.7721043 7.882368       0.9475144 6.586901       1.332043  2.671362       3.144543  
1 1 1 32 21 7  o 35.14717 1.104211  12.56274       0.7748442 11.66433       1.091370  13.47586       1.100274  -2.572433      2.208421  
1 1 1 32 21 8  o 20.17309 1.760085  4.298380       0.6998870 4.226280       1.077935  4.350927       0.9202435 -0.4788361     3.520171  
1 1 1 32 21 9  o 14.82320 2.155506  2.452934       0.6305059 3.340993       0.9070644 1.622705       0.8770336 5.837521       4.311011  
1 1 1 32 21 10 o 8.421577 2.545706  0.2846611      0.7118782 0.2692753      0.8532919 0.3198885      1.291151  -1.346095      5.091411  
1 1 1 32 21 11 o 10.49057 2.873961  1.138483       0.7479166 1.176859       0.8264088 0.9647665      1.758278  -0.6850748     5.747921  
1 1 1 32 21 12 o 10.46338 3.307156  0.4860117      1.417900  0.2981171      1.961245  0.6917537      2.052278  -0.6065311     6.614311  
1 1 1 32 21 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32 22 0  o 7.422197 3.286547  -0.3411679     0.9056085 1.717986       1.745995  -1.099017      1.059229  0.000000       0.000000  
1 1 1 32 22 1  o 9.371771 2.637106  0.2765305      0.7337942 1.308303       1.272967  -0.2369325     0.8980069 4.522804       5.274212  
1 1 1 32 22 2  o 11.95937 2.773713  1.431848       0.7780655 0.9329043      1.030170  2.094443       1.187155  -3.511406      5.547426  
1 1 1 32 22 3  o 11.85320 2.672964  1.195517       0.7156246 2.478171       1.255991  0.5789649      0.8707963 6.009879       5.345928  
1 1 1 32 22 4  o 12.80823 2.257483  1.691831       0.6229789 0.7340816      0.8343107 2.898776       0.9365816 -7.240205      4.514966  
1 1 1 32 22 5  o 32.66895 1.114244  10.79320       0.7247000 10.53342       0.9743260 11.11488       1.084220  -0.8411255     2.228488  
1 1 1 32 22 6  o 13.01949 2.467227  1.884852       0.6567070 2.007336       0.8965360 1.743051       0.9646477 0.9263802      4.934455  
1 1 1 32 22 7  o 9.651941 2.874758  0.4629318      0.9326016 0.5340871      1.198014  0.3534924      1.485747  -0.3862543     5.749516  
1 1 1 32 22 8  o 12.07185 2.770957  1.686269       0.7690483 1.865882       1.074739  1.497795       1.100931  1.086748       5.541914  
1 1 1 32 22 9  o 10.24263 2.610409  1.089967       0.6750806 1.250402       1.066210  0.9826128      0.8721726 1.016807       5.220818  
1 1 1 32 22 10 o 21.53140 2.094816  4.952402       0.8026255 4.750730       0.9366309 5.509824       1.557179  -0.6895294     4.189633  
1 1 1 32 22 11 o 10.38341 3.007003  1.033815       0.9308717 1.094074       1.085615  0.8664768      1.809097  -0.5753984     6.014006  
1 1 1 32 22 12 o 7.694755 3.765094  0.000000       0.000000  ?              ?         -2.245194      1.941527  ?              ?         
1 1 1 32 23 0  o 7.398270 4.401798  0.6944223      1.116859  0.6944223      1.116859  0.6944223      1.116859  0.000000       0.000000  
1 1 1 32 23 1  o 16.50551 2.205329  2.980831       0.7010018 3.713245       0.9707423 2.182691       1.013363  4.900807       4.410657  
1 1 1 32 23 2  o 7.252107 2.229171  -0.4155942     0.6491914 -1.236980      0.8958100 0.4929329      0.9421309 -3.193678      4.458343  
1 1 1 32 23 3  o 9.619295 2.710967  0.6381291      0.7697021 0.3298122      1.309206  0.8009884      0.9515151 -0.7809162E-01 5.421933  
1 1 1 32 23 4  o 16.11150 2.038796  2.772027       0.6365058 2.893620       0.8583534 2.623482       0.9487262 1.184991       4.077592  
1 1 1 32 23 5  o 10.65487 2.437209  1.188696       0.6609619 1.787534       0.8277734 0.1352322      1.097908  4.210151       4.874418  
1 1 1 32 23 6  o 13.91054 2.504504  2.190699       0.6986134 1.977767       0.9497960 2.441691       1.031193  -1.455683      5.009008  
1 1 1 32 23 7  f 7.276012 2.246601  -0.2050511     0.6441178 -0.7718861     0.8871045 0.4270209      0.9367631 -2.372044      4.493201  
1 1 1 32 23 8  o 13.77081 2.737537  2.245103       0.7912096 1.939556       1.139176  2.529864       1.099744  -1.859414      5.475074  
1 1 1 32 23 9  o 18.76680 2.011874  3.921690       0.7173059 4.823831       1.012100  3.011216       1.016763  5.086504       4.023749  
1 1 1 32 23 10 o 10.37910 2.810370  0.8903205      0.9925007 2.074947       1.207163  -1.581006      1.743574  4.922393       5.620740  
1 1 1 32 23 11 o 20.27759 2.929157  5.480619       1.066161  6.003411       1.280174  4.297189       1.926088  6.051847       5.858315  
1 1 1 32 23 12 o 8.309780 3.838510  0.000000       0.000000  ?              ?         -0.2181968     1.499668  ?              ?         
1 1 1 32 24 0  o 5.496232 2.697185  -0.9213878     0.9867526 -2.591156      1.803305  -0.2077537     1.178905  0.000000       0.000000  
1 1 1 32 24 1  o 20.66981 1.716269  4.407458       0.7072480 4.335881       0.9595439 4.492595       1.046504  -0.3198204     3.432539  
1 1 1 32 24 2  o 24.06796 1.593808  5.938826       0.7640032 6.187025       1.142263  5.737910       1.027719  0.8595467      3.187616  
1 1 1 32 24 3  o 12.70196 2.651042  1.821622       0.7301982 2.116896       0.9232793 1.328483       1.193177  2.329000       5.302084  
1 1 1 32 24 4  o 9.575537 2.590220  0.7426307      0.6776403 0.7003023      0.8600574 0.8119242      1.100420  -0.8878145     5.180440  
1 1 1 32 24 5  o 8.339888 2.424764  0.3210562      0.6713891 0.6883562      0.8866339 -0.1726437     1.027934  1.417051       4.849529  
1 1 1 32 24 6  f 14.18337 2.614624  2.328269       0.7479676 2.406540       1.095423  2.259902       1.023779  0.3906870      5.229248  
1 1 1 32 24 7  o 25.55608 1.470098  6.819283       0.7482689 7.075073       1.026098  6.528760       1.093543  1.135408       2.940197  
1 1 1 32 24 8  o 26.18351 1.401565  7.103428       0.7298244 8.232138       1.072904  6.131365       0.9956731 3.929792       2.803129  
1 1 1 32 24 9  o 9.007553 2.899726  0.1164879      0.8425342 0.1872904      0.9038506 -0.3528738     2.327159  -2.631819      5.799452  
1 1 1 32 24 10 o 18.89244 2.925490  4.158848       0.9070270 3.933778       1.014625  5.054377       2.023885  0.7830048E-01  5.850979  
1 1 1 32 24 11 o 7.860620 2.622150  -0.7608790     1.035884  -0.3706090     1.242304  -1.651405      1.876586  -0.3661995     5.244299  
1 1 1 32 25 0  o 12.95095 4.066051  2.618999       1.110308  2.293594       1.972842  2.769848       1.343231  0.000000       0.000000  
1 1 1 32 25 1  f 20.61198 2.049929  4.407044       0.8072264 3.311876       1.073184  5.833989       1.225003  -6.240162      4.099857  
1 1 1 32 25 2  o 9.535191 2.657594  0.5164702      0.7592245 1.151721       1.164036  0.4614892E-01  1.001593  2.985276       5.315188  
1 1 1 32 25 3  o 10.71581 2.717679  1.102250       0.7380099 1.412731       1.124615  0.8674135      0.9780694 1.747381       5.435358  
1 1 1 32 25 4  o 18.36792 2.171433  3.667833       0.7572834 3.654070       0.9681160 3.689530       1.215548  0.4990673      4.342866  
1 1 1 32 25 5  o 7.700312 2.378707  -0.1071846     0.6906710 -0.4263121     0.9006134 0.3484937      1.076182  -2.045663      4.757415  
1 1 1 32 25 6  o 8.884526 2.506084  0.3848827      0.7271047 -0.4113314     1.023385  1.196519       1.033248  -3.468850      5.012167  
1 1 1 32 25 7  o 11.17585 2.580906  1.314038       0.7502015 0.2576162      1.096604  2.243414       1.028553  -5.297398      5.161812  
1 1 1 32 25 8  o 10.01434 2.519784  0.9767472      0.6992482 1.694603       0.9514869 0.1337804      1.031073  3.959105       5.039568  
1 1 1 32 25 9  o 10.60561 2.901840  1.233199       0.8981631 1.668187       0.9995636 -0.5903335     2.046580  2.267853       5.803681  
1 1 1 32 25 10 o 6.946193 3.220647  -0.5460217     1.068555  -0.5460217     1.068555  ?              ?         ?              ?         
1 1 1 32 25 11 o 10.55261 3.162446  1.251231       1.158966  1.098675       1.675266  1.391265       1.605041  -0.4154196     6.324892  
1 1 1 32 26 0  o 15.76778 4.193543  3.477458       1.196865  4.215350       1.990838  3.059820       1.497749  0.000000       0.000000  
1 1 1 32 26 1  o 7.224514 2.307857  -0.6611105     0.7576556 0.1825038      1.033228  -1.642370      1.114336  2.230574       4.615714  
1 1 1 32 26 2  o 6.822992 2.252227  -0.8169625     0.7545021 -0.6993669     0.9951942 -0.9759225     1.157061  -0.2712679     4.504453  
1 1 1 32 26 3  o 9.529731 2.625694  0.7618678      0.7212664 0.8543962      0.9764432 0.6507553      1.070016  0.2903633      5.251389  
1 1 1 32 26 4  f 10.23748 2.747303  0.7839280      0.8785768 1.753100       1.156550  -0.5384837     1.350974  4.221678       5.494607  
1 1 1 32 26 5  f 17.10211 2.506609  3.383775       0.8273705 3.610527       1.131795  3.123520       1.212530  1.569944       5.013217  
1 1 1 32 26 6  o 9.269144 2.548512  0.6800050      0.7031128 1.131070       0.9821998 0.2059064      1.006966  2.195910       5.097024  
1 1 1 32 26 7  o 15.35290 2.502277  2.767698       0.7559566 2.343601       1.059673  3.207203       1.078751  -2.678391      5.004554  
1 1 1 32 26 8  o 10.83186 2.713345  1.343239       0.7354975 1.198842       0.9962835 1.516199       1.090374  -0.9463806     5.426689  
1 1 1 32 26 9  o 11.43502 2.878181  1.657419       0.8712444 2.064457       0.9934340 0.3013636      1.813259  3.042973       5.756362  
1 1 1 32 26 10 o 13.56678 3.132674  2.688338       1.138788  3.566225       1.353748  0.5634971      2.106112  6.092070       6.265348  
1 1 1 32 26 11 o 9.812850 3.081502  0.6876217      1.210184  0.8261768      1.690894  0.5421149      1.732792  0.3282928      6.163003  
1 1 1 32 27 0  o 11.01425 3.881685  1.268020       1.318593  -0.8394246     1.777388  3.847673       1.966458  0.000000       0.000000  
1 1 1 32 27 1  o 13.76643 2.776957  2.107198       0.7909348 1.671404       1.005194  2.815609       1.281598  -3.321520      5.553913  
1 1 1 32 27 2  o 16.87234 2.295796  3.186313       0.7519315 3.438567       1.015410  2.880025       1.118888  2.097919       4.591592  
1 1 1 32 27 3  o 13.05536 2.587838  2.206209       0.8023816 2.978927       0.9563722 0.3693140      1.474546  6.612725       5.175677  
1 1 1 32 27 4  o 9.182106 2.600112  0.2195783      0.8240173 -0.9841943     1.156592  1.460457       1.174283  -4.603665      5.200223  
1 1 1 32 27 5  o 16.24827 2.811687  3.092480       0.8919965 3.436230       1.422485  2.869718       1.145107  1.173946       5.623374  
1 1 1 32 27 6  f 9.332064 2.580958  0.7669085      0.7002684 0.6240779      0.9674981 0.9240644      1.014857  -0.8451414     5.161917  
1 1 1 32 27 7  o 11.87642 2.717483  1.709960       0.7731832 2.195744       1.017982  1.047649       1.188639  3.248222       5.434967  
1 1 1 32 27 8  o 9.983150 2.655638  0.8026333      0.7691659 0.4692556E-02  1.012661  1.890701       1.182515  -4.674034      5.311276  
1 1 1 32 27 9  o 7.574317 2.504855  -0.6229714     0.9098045 -0.8374513E-01 1.047912  -2.273791      1.833535  -0.3674030E-02 5.009710  
1 1 1 32 27 10 o 10.19626 3.098221  0.9770614      1.025003  0.7953197      1.190720  1.497087       2.014163  -1.906454      6.196443  
1 1 1 32 28 0  o 9.764756 3.965297  0.7386637      1.255282  3.210057       2.188482  -0.4730963     1.532429  0.000000       0.000000  
1 1 1 32 28 1  o 9.911382 2.847459  0.7739167      0.8409293 0.9291056      0.9906803 0.3738084      1.590713  -0.1780968     5.694919  
1 1 1 32 28 2  f 22.08327 2.006692  5.303464       0.8628827 5.523109       1.118755  4.980928       1.355698  1.544979       4.013385  
1 1 1 32 28 3  o 15.35863 2.555531  2.680361       0.7700911 2.229691       1.017489  3.284701       1.178260  -3.031737      5.111063  
1 1 1 32 28 4  o 7.820661 2.546190  -0.7152607     0.9433403 -1.501826      1.413398  -0.8341730E-01 1.266781  -1.233980      5.092380  
1 1 1 32 28 5  o 9.959664 2.735464  0.7964612      0.7611797 0.4036319      0.9457345 1.518967       1.282591  -3.241245      5.470928  
1 1 1 32 28 6  o 7.894240 2.482662  -0.2221631     0.8247688 -1.008958      1.232551  0.4158012      1.109870  -1.734199      4.965323  
1 1 1 32 28 7  o 11.43202 2.715087  1.444674       0.7184289 1.043144       0.8993083 2.152928       1.194384  -3.279298      5.430174  
1 1 1 32 28 8  o 13.32936 2.659100  2.216806       0.7424136 2.398661       1.034155  2.023414       1.066452  1.251012       5.318200  
1 1 1 32 28 9  o 7.439845 2.557973  -1.417747      1.076451  -1.289887      1.265465  -1.752449      2.047444  -1.569876      5.115946  
1 1 1 32 29 0  o 8.612976 3.834218  0.6396739      1.401159  1.657792       2.021370  -0.3019689     1.943971  0.000000       0.000000  
1 1 1 32 29 1  o 18.21582 2.413376  3.765970       0.8449975 3.672516       1.151509  3.875013       1.243838  -0.3867359     4.826753  
1 1 1 32 29 2  o 17.51812 2.238695  3.383995       0.7613523 2.748272       1.026425  4.161602       1.135203  -4.137368      4.477389  
1 1 1 32 29 3  o 12.32501 2.902469  1.804915       0.8527862 1.389653       1.231122  2.187957       1.182397  -2.180631      5.804939  
1 1 1 32 29 4  o 8.802835 2.590430  0.4588111      0.7546046 0.5818956      1.094456  0.3472784      1.041832  0.6291351      5.180859  
1 1 1 32 29 5  o 10.05429 2.757961  0.9960965      0.7845604 0.9369266      1.024621  1.079956       1.219799  -0.6427383     5.515921  
1 1 1 32 29 6  o 12.14762 2.704057  1.808517       0.7344222 1.908944       0.9966927 1.689211       1.086349  0.7371778      5.408114  
1 1 1 32 29 7  o 6.916976 2.293787  -0.8115457     0.8200148 -0.1930326     1.020997  -1.935578      1.376383  0.7522702      4.587574  
1 1 1 32 29 8  o 8.796932 2.790224  -0.2427729E-01 1.058077  0.7404643      1.239328  -2.080320      2.032100  1.366023       5.580449  
1 1 1 32 29 9  o 11.72600 3.292202  1.933156       1.152207  2.124407       1.403238  1.537362       2.018666  1.024856       6.584404  
1 1 1 32 30 0  o 8.297846 3.693791  0.7415369      1.061121  1.390005       2.231333  0.5520262      1.206249  0.000000       0.000000  
1 1 1 32 30 1  o 11.86408 2.785945  1.682869       0.8019265 2.091609       1.028795  1.049991       1.280163  2.749621       5.571890  
1 1 1 32 30 2  o 13.04327 2.919489  2.059563       0.8680407 2.509705       1.236282  1.621855       1.219088  2.497018       5.838978  
1 1 1 32 30 3  o 12.83061 2.697658  2.005636       0.7726348 2.513053       1.042816  1.388083       1.150435  3.441329       5.395316  
1 1 1 32 30 4  o 13.08709 2.728328  2.105545       0.7633010 1.994419       1.069892  2.220741       1.089311  -0.6853428     5.456657  
1 1 1 32 30 5  o 7.415694 2.406343  -0.4410080     0.8122831 -0.3774596     1.215978  -0.4922165     1.091552  0.5601602      4.812687  
1 1 1 32 30 6  o 8.082324 2.460473  0.6957449E-01  0.7864482 0.8235520      0.9829854 -1.271397      1.310924  2.327311       4.920946  
1 1 1 32 30 7  o 8.632344 2.710712  0.1854553      0.8555710 0.2241798      1.001943  0.8119736E-01  1.644010  -1.324921      5.421425  
1 1 1 32 30 8  o 15.33029 3.371005  3.683594       1.169667  3.962726       1.417363  3.087638       2.071016  3.499892       6.742009  
1 1 1 32 31 0  o 7.801906 3.445211  -0.7784086     1.064205  2.478815       1.959790  -2.140514      1.267334  0.000000       0.000000  
1 1 1 32 31 1  o 9.879116 2.785833  0.9079108      0.8063234 1.019580       0.9803133 0.6743541      1.417732  -0.1051712E-01 5.571665  
1 1 1 32 31 2  o 14.24565 2.446673  2.429911       0.8022251 3.949035       1.121201  0.8364118      1.148320  9.170938       4.893345  
1 1 1 32 31 3  o 7.354590 2.381240  -0.4797248     0.8057521 -1.026793      1.174206  0.7137315E-02  1.107710  -1.184482      4.762480  
1 1 1 32 31 4  o 9.017557 2.619411  0.5851343      0.7607333 0.2920800      1.033257  0.9320213      1.124161  -1.568484      5.238822  
1 1 1 32 31 5  o 9.617519 2.667535  0.9119823      0.7533852 1.131305       1.075726  0.7008456      1.055459  1.063081       5.335069  
1 1 1 32 31 6  o 12.85976 2.682493  2.162506       0.8004054 2.816661       1.020501  1.116816       1.290251  4.968841       5.364986  
1 1 1 32 31 7  o 11.27408 2.830673  1.650639       0.9541568 2.614182       1.180796  -0.1623196     1.619695  5.283980       5.661346  
1 1 1 32 32 0  o 7.731763 3.529095  0.6166680      1.101717  0.4466200      2.245447  0.6705832      1.264366  0.000000       0.000000  
1 1 1 32 32 1  o 8.414114 2.566682  0.2647593      0.7874629 0.1590286      1.106547  0.3732454      1.120873  -0.4290075     5.133364  
1 1 1 32 32 2  o 7.762506 2.412233  -0.2991581E-02 0.7428637 0.4246653      0.9878259 -0.5596586     1.127017  1.224894       4.824465  
1 1 1 32 32 3  o 11.19263 2.701350  1.333346       0.8164395 0.2405656      1.137138  2.496007       1.172933  -5.641282      5.402700  
1 1 1 32 32 4  o 12.77221 2.779511  1.840176       0.8374494 3.281111       1.306726  0.8358563      1.090934  6.592625       5.559022  
1 1 1 32 32 5  o 8.353910 2.666737  -0.6829079E-01 0.9347370 -0.1786291     1.497017  0.2216322E-02  1.196685  0.5071697      5.333475  
1 1 1 32 32 6  o 8.518108 2.603087  0.4537624      0.8013080 0.5563190      1.009209  0.2788165      1.318108  -0.1466303     5.206174  
1 1 1 32 33 0  o 6.615513 3.213584  -0.1085782     1.088146  -1.995477      2.801759  0.2265963      1.180842  0.000000       0.000000  
1 1 1 32 33 1  o 10.05408 2.643212  1.118997       0.7083857 1.133711       1.030687  1.105822       0.9752287 0.1333952      5.286424  
1 1 1 32 33 2  o 9.998032 2.776833  1.020377       0.8151342 0.7767264      1.254756  1.198286       1.072198  -0.6984005     5.553667  
1 1 1 32 33 3  o 8.268133 2.528894  0.4712012E-01  0.8272135 -1.014689      1.256867  0.8585448      1.098728  -2.526826      5.057787  
1 1 1 32 33 4  o 9.747410 2.663393  1.001404       0.7733124 1.506642       1.048640  0.3990951      1.144953  2.435285       5.326787  
1 1 1 32 33 5  o 8.780164 2.671036  0.5374219      0.8517708 0.7263709      1.119341  0.2775016      1.312836  0.4238262      5.342071  
1 1 1 32 34 0  o 10.40683 4.076439  1.939916       1.085044  2.082808       2.671482  1.911687       1.187394  0.000000       0.000000  
1 1 1 32 34 1  o 9.614611 2.657186  0.8587402      0.7845134 1.590450       1.117857  0.1485860      1.101268  3.216717       5.314372  
1 1 1 32 34 2  o 15.59159 2.811958  3.195220       0.8741942 3.171036       1.153714  3.227824       1.339602  0.3800077      5.623917  
1 1 1 32 34 3  o 10.42546 2.656009  1.344116       0.8003141 2.020117       0.9995657 0.1367937      1.335824  4.023945       5.312019  
1 1 1 32 34 4  f 18.72565 2.723234  4.521636       0.9848508 4.710905       1.424665  4.348406       1.362962  0.7468567      5.446467  
1 1 1 32 35 0  o 7.568342 3.453330  0.7305674      1.117201  -0.6832596     2.618706  1.045151       1.235255  0.000000       0.000000  
1 1 1 32 35 1  o 13.29498 2.748513  2.403297       0.8183891 3.051124       1.109879  1.631350       1.211547  4.323232       5.497026  
1 1 1 32 35 2  o 9.988895 2.893134  1.095463       0.9171168 1.142550       1.381115  1.058323       1.226590  0.3254480      5.786268  
1 1 1 33 0  1  o 8.405557 4.065091  -0.6769279     1.461244  -0.8920233     1.611804  0.3157239      3.462543  0.000000       0.000000  
1 1 1 33 0  2  o 11.48086 4.013139  2.031753       1.094427  2.098316       1.434280  1.938981       1.693268  0.000000       0.000000  
1 1 1 33 0  3  o 9.217640 3.740075  1.099044       1.052822  0.7771187      1.337937  1.622536       1.706134  0.000000       0.000000  
1 1 1 33 0  4  o 5.941570 2.868304  -0.6744263     0.9758753 -0.9942288     1.261951  -0.1986930     1.539158  0.000000       0.000000  
1 1 1 33 0  5  o 22.70061 4.996504  5.081102       1.322063  4.667984       1.390223  8.986929       4.274681  0.000000       0.000000  
1 1 1 33 0  6  o 15.23433 3.959214  3.059462       1.060041  2.776751       1.289712  3.648116       1.861022  0.000000       0.000000  
1 1 1 33 0  7  o 17.31711 2.853890  2.498390       0.6225422 2.143380       0.6628364 5.154861       1.813168  0.000000       0.000000  
1 1 1 33 0  8  o 23.16107 3.764240  6.348622       1.486876  6.405844       2.352618  6.310563       1.918646  0.000000       0.000000  
1 1 1 33 0  9  o 34.19535 2.616357  12.25195       1.695473  13.48629       2.822822  11.55536       2.120595  0.000000       0.000000  
1 1 1 33 0  10 o 6.762053 3.366810  -1.733462      1.508970  -0.7521791     2.521235  -2.281151      1.883577  0.000000       0.000000  
1 1 1 33 0  11 o 11.70828 5.038208  0.8321416      1.925853  4.840969       3.866032  -0.4909862     2.221047  0.000000       0.000000  
1 1 1 33 0  12 o 11.13197 4.436663  1.905423       1.816974  -1.330455      3.135320  3.541688       2.229527  0.000000       0.000000  
1 1 1 33 0  13 o 10.36034 4.348494  1.867521       1.525047  1.585196       2.560014  2.022828       1.898730  0.000000       0.000000  
1 1 1 33 0  14 o 6.266917 4.531551  -2.946496      2.616882  -2.946496      2.616882  -2.946496      2.616882  0.000000       0.000000  
1 1 1 33 0  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 1  0  o 6.183226 4.520608  -5.407859      2.941120  -5.407859      2.941120  -5.407859      2.941120  0.000000       0.000000  
1 1 1 33 1  1  o 15.01908 2.851460  2.301795       0.8718318 1.716194       1.116081  3.218517       1.396411  -4.421594      5.702920  
1 1 1 33 1  2  o 24.55011 1.666451  6.119904       0.8180698 5.958048       1.152413  6.284318       1.161491  -0.6615276     3.332902  
1 1 1 33 1  3  o 26.72085 1.482881  7.224678       0.7919024 6.969418       1.094930  7.504647       1.146701  -0.9851818     2.965761  
1 1 1 33 1  4  o 17.78545 2.135052  3.315945       0.7375349 3.658213       1.029511  2.955087       1.057099  2.261501       4.270103  
1 1 1 33 1  5  o 16.88877 2.726482  3.052420       0.8993050 2.651098       1.203998  3.558876       1.352541  -2.514254      5.452965  
1 1 1 33 1  6  o 17.05613 1.886552  3.027927       0.5562506 3.007519       1.057911  3.035725       0.6539450 -0.5324497     3.773105  
1 1 1 33 1  7  o 27.06331 1.227173  7.747006       0.5949299 8.239318       0.7131872 6.620593       1.078778  3.108696       2.454346  
1 1 1 33 1  8  o 23.59992 1.622587  4.406631       0.4813326 4.100623       0.5041505 7.559449       1.618239  -6.825865      3.245175  
1 1 1 33 1  9  o 24.50206 2.545540  6.528021       1.198516  5.349700       1.697708  7.698734       1.692220  -5.113121      5.091080  
1 1 1 33 1  10 o 13.27264 3.213059  1.561567       1.171052  3.246399       1.659862  -0.1081486     1.652399  6.864657       6.426117  
1 1 1 33 1  11 o 14.99233 3.662742  2.648620       1.336930  2.682826       1.912599  2.615936       1.869544  0.1536846      7.325485  
1 1 1 33 1  12 o 17.12945 3.478981  3.724095       1.256842  4.306417       1.857301  3.232165       1.707073  2.419656       6.957962  
1 1 1 33 1  13 o 12.87522 3.368971  1.991892       1.141748  2.113702       1.747543  1.901171       1.508134  0.5396824      6.737941  
1 1 1 33 1  14 o 13.07697 3.967488  2.069045       1.872639  1.607365       2.841161  2.423669       2.490060  -0.8049936     7.934975  
1 1 1 33 1  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 2  0  f 52.37153 3.258534  28.12330       3.385831  28.12330       3.385831  28.12330       3.385831  0.000000       0.000000  
1 1 1 33 2  1  o 15.02218 2.987389  2.430194       0.9310437 2.412325       1.247714  2.452643       1.398547  -0.1420336     5.974779  
1 1 1 33 2  2  o 13.58859 2.650970  1.981973       0.7589770 1.475813       1.088336  2.461195       1.058978  -3.085641      5.301939  
1 1 1 33 2  3  o 18.61163 2.145130  3.627648       0.7757442 3.953156       1.079901  3.280588       1.115081  2.095448       4.290259  
1 1 1 33 2  4  o 16.39127 2.334094  2.906694       0.7465287 3.756871       1.036800  1.991386       1.075781  5.563232       4.668189  
1 1 1 33 2  5  o 16.76854 1.906311  3.081320       0.5899284 2.170591       0.8988709 3.770408       0.7818794 -5.058307      3.812621  
1 1 1 33 2  6  o 7.512485 2.340781  -0.2705778     0.5723348 0.3014874      1.219294  -0.4322447     0.6481808 3.818840       4.681561  
1 1 1 33 2  7  o 16.20524 2.215909  2.798290       0.6980774 3.648977       1.004114  2.002504       0.9711714 5.271638       4.431818  
1 1 1 33 2  8  o 20.32731 2.038725  4.004458       0.5284731 3.901253       0.5624797 4.781380       1.543281  -1.312181      4.077451  
1 1 1 33 2  9  o 28.41606 2.164500  8.503489       1.225263  8.933876       1.691341  8.028173       1.777430  1.663364       4.329000  
1 1 1 33 2  10 o 25.52441 2.378813  6.895469       1.210566  6.215257       1.651835  7.684665       1.779253  -2.757553      4.757626  
1 1 1 33 2  11 o 12.17539 3.419324  1.199900       1.259013  0.5539937      1.701895  1.980660       1.871142  -2.804023      6.838647  
1 1 1 33 2  12 o 10.05871 3.132306  0.1837498      1.214989  0.7302203E-02  1.613021  0.4151488      1.847196  -1.068769      6.264613  
1 1 1 33 2  13 o 21.80047 2.787956  5.615232       1.188488  5.239599       1.670202  6.000531       1.691554  -2.054178      5.575912  
1 1 1 33 2  14 o 13.46844 4.052003  2.287718       1.941931  1.323406       2.706102  3.311543       2.788354  -2.409878      8.104006  
1 1 1 33 2  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 3  0  o 30.95194 3.066379  10.31636       1.697929  10.17550       2.870986  10.39213       2.105642  0.000000       0.000000  
1 1 1 33 3  1  o 12.77204 3.011162  1.638342       0.9224516 2.072345       1.233450  1.087543       1.389541  2.349593       6.022324  
1 1 1 33 3  2  o 10.45302 2.764060  0.8925154      0.7799866 0.9952250      1.103841  0.7900931      1.102295  0.5335159      5.528120  
1 1 1 33 3  3  o 11.83243 2.663275  1.423566       0.7142020 1.144906       0.9808992 1.737981       1.041930  -1.920582      5.326549  
1 1 1 33 3  4  o 21.12696 1.480748  4.360130       0.5981215 5.070492       1.037525  4.006536       0.7320007 2.422195       2.961496  
1 1 1 33 3  5  f 14.92410 2.662472  2.866072       0.7045216 0.8159295      1.832095  3.221845       0.7632073 -5.801850      5.324944  
1 1 1 33 3  6  o 25.14239 1.469386  6.118472       0.6699464 7.117421       1.287152  5.747295       0.7846006 2.552197       2.938773  
1 1 1 33 3  7  o 18.95024 1.507690  3.421654       0.5343651 4.329392       0.9841685 3.042173       0.6363323 3.248434       3.015380  
1 1 1 33 3  8  o 11.02950 2.803209  0.6504226      0.6925592 0.2292646      0.7788953 2.240505       1.513444  -6.727262      5.606418  
1 1 1 33 3  9  o 15.81570 3.384430  2.894412       1.175143  3.292439       1.582003  2.404420       1.755276  2.203724       6.768859  
1 1 1 33 3  10 o 17.99436 3.285087  3.694304       1.184240  3.197623       1.559333  4.371170       1.820333  -2.733795      6.570174  
1 1 1 33 3  11 o 14.82294 3.591179  2.615768       1.284314  2.646839       1.777456  2.581824       1.857794  0.1351433      7.182357  
1 1 1 33 3  12 o 12.64126 3.387777  1.768496       1.178274  2.080946       1.717807  1.490880       1.619221  1.286626       6.775555  
1 1 1 33 3  13 o 14.97499 3.293822  2.851281       1.116537  3.623539       1.610709  2.136941       1.549134  3.649463       6.587645  
1 1 1 33 3  14 o 12.47834 3.910625  1.529474       1.922922  1.600890       2.507404  1.427494       2.996283  -0.1662436     7.821249  
1 1 1 33 3  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 4  0  o 19.29345 4.283271  4.813991       1.469792  5.847404       2.152397  3.911080       2.011908  0.000000       0.000000  
1 1 1 33 4  1  o 17.16599 2.818304  3.170451       0.9462670 2.954394       1.271920  3.438270       1.416110  -1.281658      5.636608  
1 1 1 33 4  2  o 10.18519 2.725208  0.8034572      0.7675855 0.5646467      1.101989  1.028514       1.069786  -1.085264      5.450416  
1 1 1 33 4  3  o 11.74848 2.367492  1.531567       0.6009163 0.8736813      1.008941  1.893230       0.7480710 -3.186862      4.734984  
1 1 1 33 4  4  o 34.91682 1.065519  12.12346       0.7213749 12.88007       1.190133  11.68406       0.9069726 1.649292       2.131039  
1 1 1 33 4  5  o 28.56907 1.368034  8.487214       0.6850877 7.766724       1.311491  8.757598       0.8034176 -1.879522      2.736068  
1 1 1 33 4  6  o 29.33026 1.352388  8.659979       0.7027056 8.815920       1.360773  8.603271       0.8205857 0.1924801      2.704777  
1 1 1 33 4  7  f 34.83674 1.018146  11.73861       0.6820888 14.04354       1.171921  10.55780       0.8388023 4.906212       2.036292  
1 1 1 33 4  8  o 19.96826 2.520955  5.283091       0.7710459 6.109225       0.8824660 2.617216       1.585232  9.179956       5.041909  
1 1 1 33 4  9  o 10.29574 3.052677  0.3278281      1.097640  1.026315       1.457821  -0.5864697     1.667896  2.043286       6.105354  
1 1 1 33 4  10 o 12.20083 3.306582  1.346987       1.120942  1.325900       1.475401  1.375778       1.723969  -0.4978542     6.613164  
1 1 1 33 4  11 o 9.271593 3.010438  -0.7251459     1.254880  -0.8574965     1.634261  -0.5350006     1.958851  -1.210796      6.020875  
1 1 1 33 4  12 o 17.19522 3.470815  3.832644       1.272153  4.332936       1.699220  3.194603       1.918944  3.032179       6.941629  
1 1 1 33 4  13 o 10.64277 3.155746  0.8520436      1.132966  0.8086703      1.595110  0.8962030      1.609499  -0.1712751     6.311492  
1 1 1 33 4  14 o 12.44794 3.785654  1.350412       1.799040  3.262032       2.563338  -0.5052435     2.525538  4.286563       7.571308  
1 1 1 33 4  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 5  0  o 16.05452 3.573732  3.518755       1.471226  -0.9637132E-01 2.207652  6.407025       1.973276  0.000000       0.000000  
1 1 1 33 5  1  o 23.05236 1.862499  5.421076       0.8585398 5.382640       1.223294  5.458383       1.205225  -0.1711483     3.724999  
1 1 1 33 5  2  f 19.80850 1.753378  3.957183       0.6525773 4.111890       1.146726  3.883084       0.7936164 0.4473209      3.506756  
1 1 1 33 5  3  o 10.48829 2.392321  0.8192472      0.5913499 1.946751       1.016514  0.2424785      0.7270344 5.932178       4.784643  
1 1 1 33 5  4  o 22.80766 1.414243  5.180223       0.6217054 5.573905       1.043319  4.963461       0.7741660 1.258400       2.828486  
1 1 1 33 5  5  o 9.587971 2.555687  0.7137136      0.6026014 0.7619877      1.206864  0.6976811      0.6955053 1.569124       5.111375  
1 1 1 33 5  6  o 11.90202 2.405292  0.8480995      0.6172383 3.026671       1.230355  0.1153964      0.7135239 9.562759       4.810584  
1 1 1 33 5  7  o 23.26194 1.399510  5.302157       0.6041600 6.023499       1.108683  4.997476       0.7205433 2.050350       2.799019  
1 1 1 33 5  8  o 27.72498 1.779364  7.177976       0.8547190 6.546510       0.9704863 9.361205       1.804529  -4.652559      3.558728  
1 1 1 33 5  9  o 20.63159 2.982160  4.819121       1.192178  5.279691       1.571813  4.195278       1.829324  3.251650       5.964319  
1 1 1 33 5  10 o 16.10419 3.407099  3.041257       1.203887  3.559253       1.614064  2.391737       1.807398  2.878504       6.814199  
1 1 1 33 5  11 o 14.91451 3.429860  2.720831       1.218324  3.400734       1.620754  1.837539       1.847336  3.580719       6.859721  
1 1 1 33 5  12 o 12.66602 3.387170  1.787132       1.173454  1.757887       1.588712  1.822241       1.740715  -0.2455797     6.774341  
1 1 1 33 5  13 o 16.91816 3.691310  4.217622       1.449143  4.828564       1.682420  2.461366       2.852518  5.582557       7.382620  
1 1 1 33 5  14 o 10.27549 4.787585  0.000000       0.000000  ?              ?         -0.2764363     2.398253  ?              ?         
1 1 1 33 5  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 6  0  o 40.36490 2.064546  16.33531       1.620582  14.67270       2.070851  18.96234       2.603072  0.000000       0.000000  
1 1 1 33 6  1  o 21.66026 1.481161  4.968080       0.6103604 3.855236       0.9537482 5.739970       0.7943175 -4.398745      2.962321  
1 1 1 33 6  2  o 16.17548 2.034309  2.824281       0.6052699 2.421894       1.009314  3.050253       0.7563637 -2.328060      4.068618  
1 1 1 33 6  3  o 23.29597 1.417773  5.453603       0.6416634 5.656655       1.047472  5.331637       0.8118146 0.6267529      2.835546  
1 1 1 33 6  4  o 25.14031 1.333924  6.713075       0.6291109 5.288800       1.020957  7.584905       0.7987781 -4.626858      2.667848  
1 1 1 33 6  5  o 26.88855 1.362150  6.936816       0.6747158 8.295991       1.268012  6.399991       0.7968974 3.381351       2.724300  
1 1 1 33 6  6  o 36.05041 1.092207  13.10156       0.7613764 13.13098       1.247660  13.08410       0.9610742 -0.1371384E-01 2.184413  
1 1 1 33 6  7  o 34.63446 1.009002  11.55403       0.6418349 13.46697       1.207252  10.80029       0.7578062 3.719749       2.018005  
1 1 1 33 6  8  o 22.19962 1.939798  4.673934       0.7912056 4.118497       0.9274564 6.158790       1.516416  -4.256514      3.879596  
1 1 1 33 6  9  o 16.43772 2.815327  2.825202       0.9378717 4.529569       1.489073  1.704525       1.207465  7.660645       5.630655  
1 1 1 33 6  10 o 13.55734 3.432515  1.913680       1.168693  1.837936       1.520475  2.023039       1.826980  -0.7256269     6.865031  
1 1 1 33 6  11 o 13.54903 3.360396  2.157074       1.165487  2.687299       1.485801  1.308984       1.879107  2.740226       6.720792  
1 1 1 33 6  12 o 15.43797 3.267126  3.027900       1.140854  3.797275       1.509012  2.001445       1.742985  4.537782       6.534252  
1 1 1 33 6  13 o 9.560696 3.128419  -0.3679673     1.311334  -0.1303117E-01 1.524884  -1.375680      2.569391  -0.8511429     6.256838  
1 1 1 33 6  14 o 11.71188 5.290320  0.000000       0.000000  ?              ?         0.9947502      2.636041  ?              ?         
1 1 1 33 6  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 7  0  o 8.513610 3.274549  1.062916       0.8352501 -0.6061779     1.935743  1.444765       0.9258762 0.000000       0.000000  
1 1 1 33 7  1  o 27.60592 1.439337  7.273386       0.7153159 8.751489       1.400914  6.752111       0.8319421 3.445761       2.878674  
1 1 1 33 7  2  o 16.05843 2.093260  2.883088       0.6150080 2.105237       1.012907  3.337295       0.7740126 -4.169315      4.186520  
1 1 1 33 7  3  o 8.524445 2.378366  0.3727192      0.5885817 0.7595738      0.9558792 0.1364721      0.7469857 2.374277       4.756732  
1 1 1 33 7  4  f 22.86507 1.389919  5.156642       0.6223456 5.935797       1.011230  4.681606       0.7895898 2.676119       2.779839  
1 1 1 33 7  5  o 15.85947 2.293515  2.686717       0.6765883 2.533281       1.169155  2.763974       0.8296185 -1.192445      4.587029  
1 1 1 33 7  6  o 8.450945 2.503613  -0.1002496     0.6442894 0.9010840      1.279237  -0.4405834     0.7457857 4.726848       5.007225  
1 1 1 33 7  7  o 10.02509 2.294892  1.055558       0.5160633 0.6599355      0.9637730 1.214587       0.6110443 -1.265944      4.589785  
1 1 1 33 7  8  o 13.04696 2.643187  1.858798       0.6999711 1.910210       0.8510564 1.751304       1.230602  0.4286556      5.286373  
1 1 1 33 7  9  f 8.780962 2.687394  0.2649034      0.7100743 0.5265151      0.7613673 -1.482783      1.967875  -0.8309727     5.374787  
1 1 1 33 7  10 f 11.03491 3.256094  0.4623785      1.127961  0.9069618E-01  1.367545  1.253317       1.994927  -3.391277      6.512189  
1 1 1 33 7  11 o 10.66535 3.091995  0.6714963      1.120103  1.528185       1.474256  -0.4983207     1.722742  2.799271       6.183989  
1 1 1 33 7  12 o 13.38510 3.329189  2.091093       1.183936  3.009111       1.586301  0.9366525      1.778876  4.246346       6.658378  
1 1 1 33 7  13 o 11.46941 3.691087  0.3108353      1.841166  -0.1016470     2.429015  0.8678656      2.822714  -1.436999      7.382173  
1 1 1 33 7  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 7  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 8  0  o 6.437934 3.952323  0.3996490      0.9588955 0.3996490      0.9588955 0.3996490      0.9588955 0.000000       0.000000  
1 1 1 33 8  1  o 29.56108 1.311039  9.042748       0.7540957 7.656264       1.151641  10.08343       0.9977431 -4.147877      2.622078  
1 1 1 33 8  2  o 13.18387 2.454227  1.930927       0.6275507 1.526216       1.167645  2.095311       0.7441644 -1.815956      4.908454  
1 1 1 33 8  3  o 18.60445 1.707142  3.461236       0.6245583 3.844982       0.9963846 3.212876       0.8015787 1.628531       3.414284  
1 1 1 33 8  4  o 9.783007 2.456915  0.8476180      0.5997077 1.083246       0.9227701 0.6753247      0.7890680 1.578633       4.913831  
1 1 1 33 8  5  o 13.28339 2.156253  2.042982       0.6022685 0.7861302      0.9536753 2.876778       0.7767632 -7.055669      4.312507  
1 1 1 33 8  6  o 7.970542 2.206169  0.2955465      0.5651272 -0.5914852     0.9223399 0.8287063      0.7150726 -2.606056      4.412338  
1 1 1 33 8  7  f 7.859980 2.258213  -0.1845674     0.6133255 0.9529136      0.9566015 -0.9785360     0.7992095 4.661943       4.516426  
1 1 1 33 8  8  o 13.50123 2.739333  2.003547       0.7464357 2.038707       0.9004047 1.926288       1.334713  0.3098230      5.478667  
1 1 1 33 8  9  o 14.06004 3.733616  1.718230       0.7740685 1.743756       0.7889835 1.062165       3.999897  -2.828397      7.467232  
1 1 1 33 8  10 o 20.94474 3.439599  5.090897       1.404064  4.930029       1.860477  5.303741       2.140035  -0.5007591     6.879197  
1 1 1 33 8  11 o 12.01747 3.323612  1.377973       1.146626  1.082707       1.497798  1.796003       1.782172  -1.748779      6.647224  
1 1 1 33 8  12 o 12.32121 3.337188  1.592442       1.152233  1.137984       1.541110  2.168504       1.735089  -2.255489      6.674375  
1 1 1 33 8  13 o 13.14545 3.895765  1.628443       1.870647  3.819486       2.639787  -0.5816511     2.651238  5.119782       7.791531  
1 1 1 33 8  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 8  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 9  0  o 22.09236 2.040232  5.034153       0.8870829 5.034153       0.8870829 5.034153       0.8870829 0.000000       0.000000  
1 1 1 33 9  1  o 21.57355 1.559661  4.422914       0.6512651 6.185214       1.094170  3.456014       0.8104675 6.231651       3.119323  
1 1 1 33 9  2  o 9.740614 2.533569  0.7313486      0.6222731 1.116041       1.078983  0.5396296      0.7617115 2.480380       5.067138  
1 1 1 33 9  3  o 16.40096 1.636632  2.719011       0.5348061 2.412717       0.7296705 3.074549       0.7861430 -1.997820      3.273264  
1 1 1 33 9  4  o 28.47210 1.243717  8.299438       0.6982728 7.074669       1.020458  9.377869       0.9575549 -4.062159      2.487434  
1 1 1 33 9  5  o 16.66737 2.202446  2.939240       0.6550100 2.882585       1.201297  2.963210       0.7813813 -0.7806702     4.404892  
1 1 1 33 9  6  o 10.54096 2.407691  1.018605       0.5780829 1.664833       0.9477049 0.6356799      0.7295202 3.771338       4.815381  
1 1 1 33 9  7  o 8.550653 2.382483  0.4795244      0.5939780 0.3034910      0.9525920 0.5915039      0.7597643 -0.1166124     4.764965  
1 1 1 33 9  8  o 12.29341 2.596387  1.372636       0.7096487 0.6540504      0.8825195 2.687420       1.193747  -6.422883      5.192775  
1 1 1 33 9  9  o 8.544685 2.349571  0.4155098      0.6404365 1.000615       0.7872547 -0.7294031     1.101246  2.769995       4.699141  
1 1 1 33 9  10 o 6.820036 2.146627  -0.4432616     0.6444898 0.2798374      0.7659181 -2.197002      1.192796  1.691586       4.293254  
1 1 1 33 9  11 o 12.73217 3.299583  1.826656       1.089803  1.817589       1.418163  1.839732       1.703091  -0.2499733     6.599166  
1 1 1 33 9  12 o 12.42377 3.365459  1.710808       1.182212  1.293196       1.668730  2.131608       1.675089  -1.672592      6.730919  
1 1 1 33 9  13 o 14.30746 4.045341  2.614022       1.823338  4.721291       2.753009  0.9673522      2.433608  5.254306       8.090681  
1 1 1 33 9  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 10 0  o 7.665695 3.359483  0.3873672      0.8022675 1.177148       1.799589  0.1914707      0.8962585 0.000000       0.000000  
1 1 1 33 10 1  o 27.33755 1.292182  7.504506       0.6799836 7.707488       1.133023  7.390238       0.8500990 0.5037174      2.584365  
1 1 1 33 10 2  o 10.22206 2.791968  0.7288238      0.6893693 0.9181365      1.511394  0.6790928      0.7746411 2.505659       5.583936  
1 1 1 33 10 3  o 22.19202 1.295617  4.988799       0.5731555 5.160600       0.7880860 4.795897       0.8350828 0.8351631      2.591234  
1 1 1 33 10 4  o 8.959935 2.261034  0.6647530      0.5412275 1.097915       0.7423230 0.1731722      0.7907974 2.717285       4.522068  
1 1 1 33 10 5  o 11.49311 2.285096  1.289415       0.5820260 2.192542       0.8889061 0.6116613      0.7700476 5.557581       4.570192  
1 1 1 33 10 6  o 20.35481 2.028257  4.576401       0.7509191 5.995764       1.025000  2.932112       1.103230  7.823471       4.056515  
1 1 1 33 10 7  o 10.62284 2.528458  1.001823       0.5261203 1.380158       1.235267  0.9179818      0.5815009 2.481920       5.056916  
1 1 1 33 10 8  o 9.644051 2.566138  0.7397639      0.7160020 1.240746       0.9022589 -0.1123345     1.176698  2.503789       5.132275  
1 1 1 33 10 9  o 10.65770 2.523089  1.075014       0.7277761 1.901704       0.9443502 -0.1340872     1.142071  4.887472       5.046178  
1 1 1 33 10 10 o 8.898930 2.512746  0.5349289      0.6390479 0.4905786      0.7752431 0.6289583      1.128811  -1.348350      5.025492  
1 1 1 33 10 11 o 10.51839 3.118737  0.4527464      1.069644  -0.1689661     1.317952  1.652571       1.830896  -4.049483      6.237474  
1 1 1 33 10 12 o 16.84202 3.343232  3.703433       1.193179  4.299160       1.636278  3.026952       1.743657  3.350852       6.686464  
1 1 1 33 10 13 o 13.09473 3.989338  1.793917       1.940581  0.4241627      2.641455  3.400145       2.860392  -3.477309      7.978677  
1 1 1 33 10 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 11 0  o 33.56766 1.736275  12.17496       0.9495277 10.42628       1.933013  12.73110       1.090111  0.000000       0.000000  
1 1 1 33 11 1  o 10.58187 2.424311  1.131988       0.5838601 1.105189       0.7947651 1.163407       0.8605598 -0.2976351     4.848621  
1 1 1 33 11 2  o 8.003145 2.298282  0.2949468      0.5727360 0.2954690      0.8662048 0.2945412      0.7634360 0.3959279      4.596565  
1 1 1 33 11 3  o 8.211313 2.258374  0.4548459      0.5321966 0.4396905      0.7301634 0.4720224      0.7773282 -0.2596521     4.516749  
1 1 1 33 11 4  o 11.94759 2.147882  1.613437       0.6024008 2.435841       0.7587214 0.2108092      0.9908574 6.996404       4.295763  
1 1 1 33 11 5  o 20.88683 1.452664  4.375132       0.6019715 3.711338       0.8036317 5.223731       0.9086396 -3.577774      2.905328  
1 1 1 33 11 6  o 11.82164 2.170581  1.502721       0.5183625 1.597375       0.7409338 1.411979       0.7254618 0.7124949      4.341161  
1 1 1 33 11 7  o 12.25933 2.021647  1.591071       0.4860798 1.923231       0.7338418 1.331416       0.6488236 2.266935       4.043295  
1 1 1 33 11 8  o 7.020637 2.277743  -0.6138354     0.6997578 -0.7320426     0.8839557 -0.4154189     1.145243  -1.551323      4.555486  
1 1 1 33 11 9  o 9.358304 2.650522  0.5624737      0.7510255 0.5070034      1.024085  0.6270221      1.104712  -0.5063629     5.301045  
1 1 1 33 11 10 o 25.38461 1.681428  6.798882       0.7775446 6.900033       0.9314429 6.566370       1.412197  1.101377       3.362857  
1 1 1 33 11 11 o 10.42594 2.530268  0.9841371      0.5915170 0.6687778      0.6968951 1.796846       1.118747  -3.955903      5.060535  
1 1 1 33 11 12 o 13.14667 3.339487  2.084871       1.133636  1.537383       1.556923  2.702665       1.653872  -2.599380      6.678974  
1 1 1 33 11 13 o 12.01325 3.729401  0.8468400      1.818313  2.800723       2.587729  -1.058734      2.555539  4.048954       7.458801  
1 1 1 33 11 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 12 0  o 8.255458 3.065874  1.005268       0.7665205 -0.6318471     1.643619  1.460294       0.8665222 0.000000       0.000000  
1 1 1 33 12 1  o 15.90231 2.046395  2.974607       0.5970367 4.052325       0.7812524 1.461601       0.9256758 8.215567       4.092790  
1 1 1 33 12 2  o 11.87160 2.325612  1.494321       0.5795223 1.157431       0.8112806 1.845337       0.8281152 -2.487805      4.651224  
1 1 1 33 12 3  o 9.363073 2.318036  0.7453188      0.5556607 0.3328235      0.7597257 1.219798       0.8148087 -2.955175      4.636073  
1 1 1 33 12 4  o 18.67235 1.696545  3.478599       0.6059262 3.289695       0.7455159 3.846244       1.040043  -1.358223      3.393089  
1 1 1 33 12 5  o 11.80240 2.322386  1.498287       0.5667617 1.499486       0.7655880 1.496834       0.8430426 -0.4798889E-02 4.644772  
1 1 1 33 12 6  o 12.32975 2.132249  1.621669       0.5371989 2.262557       0.7773525 1.035820       0.7432241 4.538510       4.264497  
1 1 1 33 12 7  o 7.694450 2.192550  0.3222225      0.5192583 0.3207708      0.7430550 0.3236080      0.7259287 0.5623531E-01  4.385100  
1 1 1 33 12 8  o 8.736590 2.306877  0.6414638      0.5467448 0.4176420      0.8354992 0.8090965      0.7230595 -0.8544025     4.613754  
1 1 1 33 12 9  o 7.558612 2.319026  -0.5964467     0.6113747 -1.116908      0.7159831 0.8045886      1.174716  -5.295663      4.638052  
1 1 1 33 12 10 o 8.994450 2.500478  0.5382800      0.7267805 1.147758       0.8625984 -0.9530717     1.349335  2.717102       5.000957  
1 1 1 33 12 11 o 21.76083 3.195375  5.368032       0.7480821 5.305575       0.7776396 6.143088       2.739405  1.924955       6.390750  
1 1 1 33 12 12 o 14.88787 3.569803  2.195361       0.9823347 1.761537       1.066491  4.623329       2.523026  -5.447566      7.139605  
1 1 1 33 12 13 o 8.603916 3.802138  0.1309108      1.286550  0.1309108      1.286550  ?              ?         ?              ?         
1 1 1 33 12 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 13 0  o 11.06550 3.096526  1.952473       0.7840442 0.4900992      1.612079  2.405560       0.8973215 0.000000       0.000000  
1 1 1 33 13 1  o 8.868864 2.326440  0.5966326      0.5774387 0.9990351      0.7746385 0.9340467E-01  0.8662656 2.294178       4.652879  
1 1 1 33 13 2  o 26.75926 1.173062  7.251049       0.6255208 7.848906       0.8767854 6.631336       0.8926684 2.279510       2.346124  
1 1 1 33 13 3  o 10.28454 2.417553  1.028231       0.5886534 0.7457290      0.8047952 1.353253       0.8632373 -2.108961      4.835105  
1 1 1 33 13 4  o 13.06104 2.329527  1.663846       0.6196043 2.818711       1.017201  0.9825733      0.7812704 6.255356       4.659055  
1 1 1 33 13 5  f 22.80286 1.314795  5.271849       0.5994022 5.079733       0.8424821 5.468782       0.8529808 -0.8491173     2.629590  
1 1 1 33 13 6  o 28.33528 1.088039  8.096176       0.6157252 8.726731       0.8882300 7.512881       0.8542950 2.131008       2.176077  
1 1 1 33 13 7  o 9.279949 2.178483  0.8151346      0.4874981 1.238689       0.7229474 0.4619412      0.6601739 2.908289       4.356965  
1 1 1 33 13 8  o 7.994245 2.185900  0.4740064      0.4922378 0.4332873      0.7626057 0.5030869      0.6444699 0.1816053      4.371801  
1 1 1 33 13 9  o 8.515557 2.484893  -0.7736536E-01 0.6537516 -0.5528137     0.7715154 1.133290       1.231128  -5.092865      4.969786  
1 1 1 33 13 10 o 27.39239 1.443565  7.901324       0.7351028 8.137661       0.8978724 7.420843       1.280225  1.642988       2.887130  
1 1 1 33 13 11 o 11.79650 2.467442  1.697694       0.6225805 1.952904       0.7242868 0.9755612      1.218344  2.920629       4.934883  
1 1 1 33 13 12 o 10.27691 3.714833  1.153820       0.9822815 1.153820       0.9822815 ?              ?         ?              ?         
1 1 1 33 13 13 o 9.467800 4.070649  0.5538950      1.390876  0.5538950      1.390876  ?              ?         ?              ?         
1 1 1 33 13 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 14 0  o 7.860925 3.380962  0.1803921      0.9905015 1.607256       1.636551  -0.6444262     1.244278  0.000000       0.000000  
1 1 1 33 14 1  o 10.21807 2.328877  1.027501       0.5795624 1.539171       0.7841653 0.4115452      0.8603754 3.524852       4.657754  
1 1 1 33 14 2  o 8.689879 2.385304  0.4877355      0.6129463 0.8239593      0.8250682 0.7361702E-01  0.9156677 1.664160       4.770608  
1 1 1 33 14 3  o 21.47803 1.414208  4.685608       0.6065227 5.042451       0.8663412 4.342573       0.8494145 1.622595       2.828417  
1 1 1 33 14 4  o 20.58421 1.610653  4.317803       0.6438780 4.364290       1.044966  4.289351       0.8175063 0.7714272E-01  3.221306  
1 1 1 33 14 5  o 19.50842 1.599313  3.836237       0.6200425 4.345658       0.9428250 3.448008       0.8230695 2.246393       3.198627  
1 1 1 33 14 6  o 14.77407 1.982694  2.332692       0.5642333 2.449267       0.8025634 2.218762       0.7934082 0.7748690      3.965388  
1 1 1 33 14 7  o 6.159760 1.954498  -0.3112468     0.5000486 -0.1071339     0.7438579 -0.4795362     0.6754345 1.066617       3.908997  
1 1 1 33 14 8  o 6.915080 2.092115  0.2200823E-01  0.5157694 0.1442409      0.7407429 -0.9301891E-01 0.7185782 0.6475534      4.184231  
1 1 1 33 14 9  o 12.33925 2.425760  1.797342       0.6862094 2.518317       0.8744548 0.6417614      1.107075  5.632722       4.851520  
1 1 1 33 14 10 o 19.60258 2.023715  4.285313       0.6949844 4.456152       0.8359678 3.903008       1.250546  2.223137       4.047431  
1 1 1 33 14 11 o 22.41236 2.132874  5.706395       0.8872705 7.233596       1.228913  4.043433       1.282373  7.456221       4.265749  
1 1 1 33 14 12 o 7.444823 3.344817  -0.1707314     1.039740  -0.1707314     1.039740  ?              ?         ?              ?         
1 1 1 33 14 13 o 16.08015 4.438048  3.422692       1.473136  3.422692       1.473136  ?              ?         ?              ?         
1 1 1 33 14 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 15 0  o 7.226484 3.197974  -0.3544348     0.9954374 1.435679       1.565427  -1.569656      1.289793  0.000000       0.000000  
1 1 1 33 15 1  o 6.926645 2.136310  -0.1252444     0.5608386 -0.2577134     0.7906556 0.8906537E-02  0.7956592 -0.5763001     4.272620  
1 1 1 33 15 2  o 27.29322 1.246183  7.487514       0.6763116 7.067660       0.9001487 8.031735       1.024834  -1.722147      2.492365  
1 1 1 33 15 3  f 11.52628 2.345418  1.406834       0.5870713 0.9639300      0.8272538 1.856200       0.8332672 -3.147194      4.690836  
1 1 1 33 15 4  o 7.830573 2.268219  0.2165062      0.5797328 -0.1206264     0.8401195 0.5229807      0.8010100 -1.399598      4.536439  
1 1 1 33 15 5  o 18.06130 1.785734  3.378024       0.6384193 3.105084       0.9479967 3.604537       0.8636140 -1.427752      3.571468  
1 1 1 33 15 6  o 15.66041 1.872746  2.576350       0.5725899 2.844573       0.8239168 2.325796       0.7963170 1.868194       3.745491  
1 1 1 33 15 7  o 21.30677 1.300700  4.635540       0.5522367 4.227300       0.7864830 5.032554       0.7755922 -1.894978      2.601400  
1 1 1 33 15 8  o 9.806205 2.359248  0.9648910      0.5547221 0.9026970      0.7887552 1.025759       0.7803041 -0.4030552     4.718496  
1 1 1 33 15 9  o 8.217041 2.459005  0.2362489      0.6936545 0.5176610      0.8481816 -0.3320624     1.205343  0.4964089      4.918010  
1 1 1 33 15 10 o 17.66980 2.424927  3.385109       0.8071665 2.788656       1.012512  4.425086       1.336976  -4.046414      4.849854  
1 1 1 33 15 11 o 12.35824 2.528536  1.786458       0.6211718 1.808776       0.7270709 1.726145       1.195248  0.5700502      5.057071  
1 1 1 33 15 12 o 14.75502 3.872691  2.694067       1.157287  2.694067       1.157287  ?              ?         ?              ?         
1 1 1 33 15 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 16 0  f 24.12798 2.070875  5.738430       0.8791322 7.185165       1.723070  5.229279       1.022189  0.000000       0.000000  
1 1 1 33 16 1  o 26.88769 1.229971  7.321059       0.6604815 7.821372       0.9394798 6.832124       0.9287366 1.835793       2.459942  
1 1 1 33 16 2  o 14.88841 2.062657  2.374863       0.5973949 1.647298       0.8421093 3.111957       0.8476055 -5.087416      4.125315  
1 1 1 33 16 3  o 10.77854 2.803290  1.052342       0.8174107 -0.2646815     1.611515  1.508571       0.9484813 -2.254079      5.606579  
1 1 1 33 16 4  o 9.521336 2.377147  0.8243770      0.5746090 0.5400783      0.8070818 1.116615       0.8182732 -1.854264      4.754295  
1 1 1 33 16 5  o 14.88430 2.196063  2.325976       0.6176878 2.070728       0.7794479 2.756888       1.012747  -2.054229      4.392126  
1 1 1 33 16 6  o 20.73735 1.581733  4.538835       0.6346736 5.155485       0.8397923 3.717539       0.9691753 3.538982       3.163466  
1 1 1 33 16 7  o 13.85563 2.179328  2.081732       0.5848332 1.977053       0.7783462 2.217456       0.8862847 -0.7435427     4.358657  
1 1 1 33 16 8  o 19.95298 1.502273  3.829834       0.5792378 5.276344       0.9838587 3.062472       0.7165930 5.369186       3.004546  
1 1 1 33 16 9  f 14.10656 3.059689  2.121897       0.7081323 2.067498       0.7516303 2.551498       2.112240  -0.8402119     6.119379  
1 1 1 33 16 10 o 19.63700 2.412966  5.154863       0.7443930 5.984747       0.8671952 2.831265       1.451072  8.922683       4.825932  
1 1 1 33 16 11 o 9.117828 2.265746  0.8585336      0.5959416 1.378780       0.6803173 -0.8572425     1.235484  3.768425       4.531492  
1 1 1 33 16 12 o 10.35284 4.147409  1.069229       1.303077  1.069229       1.303077  ?              ?         ?              ?         
1 1 1 33 16 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 17 0  o 13.14347 3.840358  2.316322       0.9008822 2.954138       1.809111  2.106008       1.038847  0.000000       0.000000  
1 1 1 33 17 1  o 36.26603 1.028623  13.27244       0.7455736 13.75657       1.050538  12.78113       1.058305  1.347111       2.057247  
1 1 1 33 17 2  o 34.49323 1.134372  12.10396       0.7742226 12.69838       1.038420  11.35994       1.161765  1.979542       2.268745  
1 1 1 33 17 3  o 7.163032 2.293400  -0.6069238     0.6554394 0.5407838E-01  1.174507  -0.9058788     0.7898726 3.169184       4.586800  
1 1 1 33 17 4  o 9.906693 2.367754  0.9624139      0.5745050 1.296024       0.7940783 0.5959970      0.8322076 2.217708       4.735508  
1 1 1 33 17 5  o 30.07696 1.174957  9.164556       0.7018492 9.292296       1.059897  9.064800       0.9366241 0.3241806      2.349914  
1 1 1 33 17 6  o 7.541555 2.218723  0.1725878      0.5575098 -0.1961578E-01 0.7803982 0.3729209      0.7967314 -1.013580      4.437445  
1 1 1 33 17 7  o 17.10834 1.728278  3.017222       0.5908887 3.186678       0.8517017 2.859970       0.8204595 0.9342575      3.456557  
1 1 1 33 17 8  o 8.820728 2.424312  0.6320090      0.5959474 0.4589325      1.037423  0.7172528      0.7280617 0.1428814      4.848623  
1 1 1 33 17 9  o 20.83860 1.602761  4.506782       0.6620487 4.912794       1.020727  4.211942       0.8698286 1.518623       3.205522  
1 1 1 33 17 10 o 9.549444 2.784599  0.7334404      0.7571458 1.025649       0.8047982 -1.517179      2.233528  0.4511919      5.569198  
1 1 1 33 17 11 o 8.427401 2.665652  -0.3104440     0.8723258 -0.8283437     1.061403  0.7674318      1.531235  -3.628512      5.331304  
1 1 1 33 17 12 o 9.789518 4.168608  0.6991439      1.434157  0.6991439      1.434157  ?              ?         ?              ?         
1 1 1 33 17 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 18 0  o 53.25996 1.467877  29.12012       1.396979  27.86712       2.608604  29.62396       1.654173  0.000000       0.000000  
1 1 1 33 18 1  o 39.92118 1.239397  15.85787       0.9244213 15.37552       1.115037  16.91815       1.653189  -1.742298      2.478795  
1 1 1 33 18 2  o 13.79890 2.362934  2.021367       0.6402930 1.725302       0.8362828 2.440794       0.9953765 -2.368316      4.725868  
1 1 1 33 18 3  o 8.543003 2.335017  0.2540559      0.6287224 1.133639       0.9183995 -0.5217556     0.8625241 4.129141       4.670034  
1 1 1 33 18 4  o 12.26994 2.643322  1.617276       0.7198491 1.208111       0.9998817 2.057538       1.037183  -2.692195      5.286643  
1 1 1 33 18 5  o 11.34494 2.185015  1.193817       0.5872080 0.1952554      0.7836263 2.472585       0.8867830 -7.574629      4.370030  
1 1 1 33 18 6  o 21.43571 1.589116  4.676211       0.6771762 5.194823       1.028964  4.279978       0.8994029 2.051563       3.178232  
1 1 1 33 18 7  o 7.620737 2.254637  0.1825678      0.5726557 0.2661361      0.8616994 0.1164668      0.7663714 0.7227263      4.509273  
1 1 1 33 18 8  o 10.62728 2.374050  1.196472       0.5784497 1.674266       0.8585851 0.7993377      0.7827648 3.042938       4.748100  
1 1 1 33 18 9  o 6.042425 1.956633  -0.4246319     0.5378410 -0.7816577     0.8533750 -0.1893618     0.6927451 -0.2445445     3.913266  
1 1 1 33 18 10 o 17.27888 2.476217  3.260541       0.7664759 3.015377       0.9014682 3.900223       1.456142  -1.144205      4.952435  
1 1 1 33 18 11 o 7.878653 3.449225  0.9466888E-01  1.034304  0.9466888E-01  1.034304  ?              ?         ?              ?         
1 1 1 33 18 12 o 24.47281 4.484778  7.727940       2.113267  7.727940       2.113267  ?              ?         ?              ?         
1 1 1 33 18 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 19 0  o 9.334692 3.680635  1.010277       0.8954464 2.139527       1.794642  0.6359518      1.033254  0.000000       0.000000  
1 1 1 33 19 1  o 22.91449 1.691071  5.339850       0.7560271 5.149199       0.9610959 5.649316       1.224485  -0.9395752     3.382142  
1 1 1 33 19 2  o 25.19183 1.400455  6.547082       0.6965376 5.883559       1.036483  7.093508       0.9405898 -2.450350      2.800911  
1 1 1 33 19 3  o 24.00892 1.378020  5.858373       0.6591086 5.174879       0.9050130 6.630364       0.9618192 -3.001804      2.756040  
1 1 1 33 19 4  o 13.00486 2.323034  1.908396       0.6435128 0.9750959      0.9571748 2.678177       0.8692889 -5.636794      4.646067  
1 1 1 33 19 5  o 12.19611 2.360166  1.413741       0.6342394 0.5985176      0.8098434 2.706914       1.019979  -6.996130      4.720333  
1 1 1 33 19 6  o 17.21142 2.353829  3.685811       0.7283697 4.586352       0.8966306 1.938499       1.248956  7.897530       4.707657  
1 1 1 33 19 7  o 15.82705 2.249677  2.680786       0.6983976 1.729576       0.9233158 3.952773       1.067711  -6.949004      4.499353  
1 1 1 33 19 8  o 9.208405 2.421491  0.8082694      0.5966880 0.6899865      0.9079756 0.8981811      0.7916276 -0.3715515     4.842981  
1 1 1 33 19 9  o 17.16155 2.517172  3.460484       0.7610055 3.591517       0.8937556 3.115033       1.451181  2.535430       5.034344  
1 1 1 33 19 10 o 13.42047 2.670005  2.321705       0.7596520 2.680275       0.8995970 1.430590       1.418170  3.936254       5.340011  
1 1 1 33 19 11 o 11.40099 3.065579  1.529896       0.9621781 1.736455       1.175004  1.109470       1.676340  0.9554005      6.131159  
1 1 1 33 19 12 o 9.314453 4.294888  -0.2048998     1.866566  -0.2048998     1.866566  ?              ?         ?              ?         
1 1 1 33 20 0  o 15.87852 3.618743  2.898524       0.9859511 4.990776       1.821017  2.030830       1.172709  0.000000       0.000000  
1 1 1 33 20 1  o 25.40304 1.374449  6.600173       0.6954759 5.941070       0.9850917 7.255171       0.9820185 -2.588081      2.748898  
1 1 1 33 20 2  o 8.711439 2.322814  0.2813880      0.6163898 -0.5018242     0.8209532 1.293438       0.9332107 -4.802670      4.645629  
1 1 1 33 20 3  f 8.773841 2.298721  0.4863640      0.5950219 -0.2650673     0.8535571 1.196749       0.8299171 -3.807350      4.597442  
1 1 1 33 20 4  o 15.81673 2.051017  2.715201       0.6247649 3.233027       0.8611994 2.139896       0.9077384 3.741870       4.102034  
1 1 1 33 20 5  o 13.91721 2.265288  2.117817       0.6170251 2.110162       0.8472208 2.126464       0.9004173 -0.1077843E-01 4.530575  
1 1 1 33 20 6  o 35.43845 1.071169  12.72462       0.7580942 13.69635       1.102225  11.85228       1.044330  2.571533       2.142339  
1 1 1 33 20 7  o 21.00798 1.813020  4.422130       0.7373225 5.677914       1.250419  3.752753       0.9129218 4.208323       3.626040  
1 1 1 33 20 8  o 12.49339 2.145591  1.662191       0.6093614 2.921847       0.8890638 0.5461746      0.8368396 8.083010       4.291182  
1 1 1 33 20 9  o 11.81847 2.824089  1.580250       0.7501553 1.484695       0.8987316 1.799741       1.362106  -1.000708      5.648178  
1 1 1 33 20 10 o 14.94535 2.512175  2.916556       0.7884552 3.739959       0.9922776 1.506243       1.298628  7.122443       5.024349  
1 1 1 33 20 11 o 9.993181 3.072518  -0.3508571     1.174462  -1.827495      1.460175  2.354984       1.976600  -6.221210      6.145036  
1 1 1 33 20 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 21 0  o 6.790114 2.995513  0.1482348      0.9254429 -2.047998      1.770461  0.9739058      1.085552  0.000000       0.000000  
1 1 1 33 21 1  o 9.861195 2.656055  0.7849706      0.7511779 -0.4833581E-01 1.306030  1.196912       0.9182657 -1.848245      5.312111  
1 1 1 33 21 2  o 19.73369 1.993368  4.096775       0.7725840 4.286777       1.017770  3.838421       1.186801  1.263042       3.986736  
1 1 1 33 21 3  o 16.74557 2.289395  3.057299       0.7377284 3.020265       1.069388  3.090927       1.019043  -0.2743397     4.578790  
1 1 1 33 21 4  o 16.49873 2.049213  2.841167       0.6541333 2.247719       0.8720294 3.604765       0.9891730 -4.271460      4.098427  
1 1 1 33 21 5  f 7.013103 2.228128  -0.3438778     0.6490130 -0.4532342     0.8650619 -0.2030619     0.9816371 -0.9128633     4.456256  
1 1 1 33 21 6  o 11.55971 2.531453  1.471300       0.6591867 1.061860       0.9079695 1.927625       0.9585469 -2.835895      5.062907  
1 1 1 33 21 7  f 7.658221 2.289731  0.1483910E-01  0.6360980 -0.5898383     0.8803835 0.6752850      0.9200864 -2.690579      4.579461  
1 1 1 33 21 8  o 11.80018 2.686750  1.674541       0.7544604 0.7600939      1.370346  2.072292       0.9037679 -3.244370      5.373500  
1 1 1 33 21 9  o 10.22543 2.781028  0.9056543      0.7683004 0.5690504      0.9411173 1.578238       1.330324  -3.042789      5.562056  
1 1 1 33 21 10 o 9.648979 2.611412  0.7958071      0.8366302 1.641633       0.9765687 -1.537465      1.621978  4.028800       5.222823  
1 1 1 33 21 11 f 14.91792 3.732555  3.270547       1.416593  2.667516       2.057964  3.813574       1.952894  -2.410058      7.465111  
1 1 1 33 21 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33 22 0  o 21.76805 2.720058  5.052111       1.154027  5.052111       1.154027  5.052111       1.154027  0.000000       0.000000  
1 1 1 33 22 1  o 8.357924 2.377099  0.8813858E-01  0.6764006 1.025161       0.9707631 -0.7960377     0.9429911 3.916301       4.754199  
1 1 1 33 22 2  o 8.175123 2.401559  0.2318286      0.6477321 0.5343976E-01  0.8770339 0.4458946      0.9607411 -1.182286      4.803117  
1 1 1 33 22 3  o 30.23594 1.346891  9.279021       0.8112833 9.774869       1.213140  8.877858       1.091182  1.420794       2.693783  
1 1 1 33 22 4  f 18.14549 2.345036  3.538852       0.8055339 3.998057       1.287978  3.243833       1.032360  1.752680       4.690072  
1 1 1 33 22 5  o 12.03411 2.440940  1.703275       0.6740918 2.336894       0.8643711 0.7197447      1.076911  4.926095       4.881879  
1 1 1 33 22 6  o 7.980371 2.414597  0.1581612      0.6857270 0.1102376      0.9979483 0.2010290      0.9438410 -0.2203465E-02 4.829194  
1 1 1 33 22 7  o 11.12181 2.828809  1.192464       0.7487587 0.9220859      0.8912686 1.841038       1.380392  -2.964995      5.657618  
1 1 1 33 22 8  o 7.422838 2.351511  -0.1885378     0.7160289 -0.1673181     0.9471465 -0.2168408     1.093861  -0.4281855     4.703023  
1 1 1 33 22 9  o 8.776760 2.682790  0.3170136      0.8469492 0.4692632      1.052665  0.3754175E-01  1.426202  -0.1930075     5.365579  
1 1 1 33 22 10 o 11.93502 2.978905  1.860278       0.9549329 2.364982       1.106747  0.3898338      1.889098  3.593547       5.957810  
1 1 1 33 22 11 o 8.437532 2.832466  -1.100871      1.294688  -0.9637842E-01 1.908415  -1.957379      1.762241  1.904208       5.664932  
1 1 1 33 23 0  o 6.259428 3.047104  -0.6450408     0.9690908 -0.1499591E-01 1.936903  -0.8554258     1.119256  0.000000       0.000000  
1 1 1 33 23 1  o 7.841985 2.413401  -0.7410976E-01 0.7125739 -0.2580099     1.037183  0.9029099E-01  0.9806550 -0.4320211     4.826802  
1 1 1 33 23 2  o 9.526474 2.567781  0.7203077      0.6818299 1.003776       1.009610  0.4826141      0.9245066 1.591286       5.135562  
1 1 1 33 23 3  o 11.47075 2.607587  1.424161       0.6775036 1.256413       0.9148250 1.627918       1.008242  -1.244383      5.215174  
1 1 1 33 23 4  o 14.34139 2.680316  2.312628       0.8423137 3.640146       1.230549  1.142261       1.155420  7.174551       5.360633  
1 1 1 33 23 5  o 7.593111 2.292423  0.2613978E-01  0.6435199 0.5167532      0.8751106 -0.5515440     0.9495948 1.835198       4.584846  
1 1 1 33 23 6  o 9.540834 2.526578  0.7635511      0.6810698 1.376318       0.9923231 0.2178354      0.9364590 3.134665       5.053156  
1 1 1 33 23 7  o 14.97396 2.263215  2.556777       0.6719691 1.925859       0.9594250 3.164271       0.9414457 -4.315030      4.526431  
1 1 1 33 23 8  o 12.56392 2.708067  1.891147       0.7379748 1.903578       0.9759250 1.874547       1.127774  0.1814184      5.416134  
1 1 1 33 23 9  o 20.80800 2.315700  4.982760       0.8571810 5.015584       1.034726  4.910958       1.530360  1.586121       4.631400  
1 1 1 33 23 10 o 13.21928 3.342424  1.886430       1.005752  1.278423       1.160833  3.716866       2.014156  -5.179252      6.684847  
1 1 1 33 23 11 o 12.09214 3.454785  2.110671       1.296497  1.638178       1.776177  2.649524       1.896809  -1.707490      6.909570  
1 1 1 33 24 0  o 5.769355 2.835320  -0.7100044     1.000529  -2.199986      2.068857  -0.2551370     1.143095  0.000000       0.000000  
1 1 1 33 24 1  o 15.75430 2.586105  2.824727       0.7980462 2.854635       1.085433  2.789537       1.177381  0.3209181      5.172210  
1 1 1 33 24 2  o 10.81449 2.574612  1.067281       0.7772040 -0.2535555     1.155902  2.157140       1.049981  -5.756201      5.149225  
1 1 1 33 24 3  o 23.72269 2.104926  6.278531       0.9243359 6.803416       1.147654  5.309330       1.559500  3.644857       4.209853  
1 1 1 33 24 4  o 13.73256 2.562991  2.136444       0.7052079 1.885757       0.9131759 2.506857       1.110025  -1.831276      5.125981  
1 1 1 33 24 5  o 7.521572 2.303305  0.1958571E-02  0.6259601 -0.2120274     0.7996907 0.3404821      1.005828  -1.855498      4.606611  
1 1 1 33 24 6  o 14.01056 2.232536  2.157748       0.6603439 1.033946       0.8948836 3.501193       0.9784338 -8.120668      4.465071  
1 1 1 33 24 7  o 8.440762 2.558133  0.8148656E-01  0.7695593 0.8044592      1.232549  -0.3804131     0.9851830 2.880395       5.116267  
1 1 1 33 24 8  o 8.330083 2.468245  -0.1341682     0.7301186 -0.9974509     0.9240075 1.300721       1.191264  -4.925173      4.936491  
1 1 1 33 24 9  o 11.44790 3.030634  1.533576       0.8487310 1.549315       0.9582039 1.476264       1.828536  -0.2871704     6.061269  
1 1 1 33 24 10 o 9.258818 2.890450  0.3332438      1.076171  0.8842819      1.319241  -0.7628114     1.860585  1.110267       5.780899  
1 1 1 33 25 0  o 6.108128 2.973257  -0.4573190     1.018447  -1.652821      2.131838  -0.1037862     1.159295  0.000000       0.000000  
1 1 1 33 25 1  o 15.82228 2.356142  2.830418       0.7214900 2.973801       0.9940689 2.670809       1.048812  1.044849       4.712283  
1 1 1 33 25 2  o 11.44420 2.469091  0.9141453      0.7650750 -0.5205382     0.9968275 2.970783       1.193496  -9.059385      4.938181  
1 1 1 33 25 3  o 10.93118 2.503385  1.254989       0.6936655 2.065719       0.9581290 0.3619832      1.005572  4.856200       5.006770  
1 1 1 33 25 4  o 8.624413 2.553832  0.3633672      0.7411377 0.2385594      1.089179  0.4709847      1.011392  -0.2595863     5.107664  
1 1 1 33 25 5  f 8.486840 2.483678  0.1908551      0.6913281 -0.2947509     0.8751742 0.9967298      1.127421  -3.465530      4.967357  
1 1 1 33 25 6  o 15.77468 2.330036  2.883264       0.7245190 2.125442       1.039770  3.598484       1.010122  -4.875988      4.660072  
1 1 1 33 25 7  f 28.98987 1.394346  8.798289       0.8081968 9.023026       1.160184  8.586419       1.126486  0.7124424      2.788692  
1 1 1 33 25 8  o 19.61942 2.490452  4.389379       0.8433553 4.232805       0.9844710 4.821128       1.634777  0.3217735      4.980905  
1 1 1 33 25 9  o 15.82914 3.104273  3.257659       0.9239755 3.240661       1.045280  3.318408       1.976078  1.609953       6.208545  
1 1 1 33 25 10 o 7.579910 2.604465  -1.262307      1.026892  -1.494427      1.186456  -0.5692370     2.050143  -2.824580      5.208931  
1 1 1 33 26 0  o 9.871359 5.142682  1.632798       1.308684  1.632798       1.308684  1.632798       1.308684  0.000000       0.000000  
1 1 1 33 26 1  o 8.559793 2.488418  0.3872767      0.7142816 0.8340881      0.8925660 -0.4084701     1.191148  1.630847       4.976836  
1 1 1 33 26 2  o 16.37022 2.377692  3.050778       0.7523968 3.129781       1.064840  2.972009       1.063261  0.4862995      4.755383  
1 1 1 33 26 3  o 21.98580 1.895425  5.202157       0.8044454 5.344785       1.024293  4.972582       1.299523  1.187950       3.790850  
1 1 1 33 26 4  o 12.95824 2.794391  1.780750       0.8428246 0.8199511      1.097994  3.158891       1.315014  -6.465247      5.588782  
1 1 1 33 26 5  o 10.79815 2.792294  1.266711       0.8306687 0.3812545      1.400481  1.747288       1.031751  -2.677385      5.584589  
1 1 1 33 26 6  o 8.448769 2.381902  0.3222751      0.6848692 1.167727       0.9247783 -0.7046208     1.019193  3.628851       4.763804  
1 1 1 33 26 7  o 11.76377 2.715076  1.672705       0.7304332 1.602769       0.9806166 1.759869       1.094761  -0.4450893     5.430152  
1 1 1 33 26 8  o 11.50015 3.229101  1.349086       0.9275547 1.150799       1.031715  2.185028       2.118363  -2.682368      6.458201  
1 1 1 33 26 9  o 15.04002 3.308608  2.303729       1.035006  1.168838       1.183001  6.007388       2.137094  -9.759178      6.617217  
1 1 1 33 27 0  o 8.659476 3.678364  1.091411       1.068357  0.5358373E-01  2.414540  1.344057       1.191320  0.000000       0.000000  
1 1 1 33 27 1  o 10.17119 2.613872  0.9742560      0.7584404 1.669192       0.9883845 -0.2095798E-01 1.182801  3.699585       5.227745  
1 1 1 33 27 2  o 16.36077 2.565957  3.121089       0.8086945 3.163619       1.054437  3.060341       1.260211  0.6957722      5.131914  
1 1 1 33 27 3  o 8.407266 2.459997  0.3152183      0.7029853 -0.2244113     1.003224  0.8358001      0.9853593 -2.165663      4.919994  
1 1 1 33 27 4  o 7.876782 2.368806  -0.2177783     0.7669899 0.8926594      0.9773619 -1.997907      1.237468  3.460883       4.737613  
1 1 1 33 27 5  o 9.199091 2.743311  0.3763420      0.8307006 1.055738       1.409338  0.1464012E-01  1.028321  2.846060       5.486622  
1 1 1 33 27 6  f 7.383185 2.385849  -0.3841486     0.7892600 -0.4170486     1.068468  -0.3446371     1.170918  -0.4371495     4.771698  
1 1 1 33 27 7  f 9.063362 2.561720  0.7361326      0.7023752 0.6532876      0.9776579 0.8245029      1.009736  -0.4741106     5.123440  
1 1 1 33 27 8  o 13.07193 3.217495  2.277766       0.9577747 2.377911       1.057587  1.821077       2.258457  1.496475       6.434990  
1 1 1 33 27 9  o 12.51175 3.249242  2.359312       1.141090  2.888381       1.382735  1.229733       2.020416  3.394684       6.498484  
1 1 1 33 28 0  o 6.785128 4.191050  0.5406489      1.091201  0.5406489      1.091201  0.5406489      1.091201  0.000000       0.000000  
1 1 1 33 28 1  o 10.25462 2.798132  1.017035       0.7845707 0.9551259      0.9729630 1.132129       1.326616  -0.9641457     5.596263  
1 1 1 33 28 2  f 11.80903 2.730921  1.638755       0.7439573 1.778063       1.054369  1.500631       1.049875  0.8323927      5.461841  
1 1 1 33 28 3  o 10.88019 2.730854  1.273348       0.7929080 0.5364188      1.172757  1.893860       1.076144  -3.361736      5.461708  
1 1 1 33 28 4  o 9.872724 2.578764  0.8391464      0.7536734 1.774742       1.051298  -0.1501230     1.081034  4.467982       5.157528  
1 1 1 33 28 5  o 12.45573 3.204957  1.819799       1.027651  1.250955       1.319788  2.695797       1.637795  -3.330701      6.409913  
1 1 1 33 28 6  o 8.669745 2.496731  0.5626171      0.6927738 0.8763044      0.9729993 0.2400973      0.9866024 1.409378       4.993461  
1 1 1 33 28 7  o 12.26268 2.925480  1.881521       0.8753235 2.398800       1.226604  1.344747       1.249503  2.806050       5.850960  
1 1 1 33 28 8  o 17.23609 3.475261  3.668501       1.047849  3.041409       1.162266  6.391344       2.421872  -3.940243      6.950523  
1 1 1 33 29 0  o 25.72589 2.526704  7.044405       1.277086  7.044405       1.277086  7.044405       1.277086  0.000000       0.000000  
1 1 1 33 29 1  o 14.84289 2.734156  2.707129       0.8122166 2.833601       1.040044  2.509419       1.300379  1.416442       5.468311  
1 1 1 33 29 2  o 12.55385 2.874942  1.945790       0.8238618 1.851376       1.242182  2.019938       1.100818  -0.5427475     5.749884  
1 1 1 33 29 3  o 20.29073 1.990950  4.514210       0.8052318 4.208201       1.085658  4.888401       1.200526  -1.465792      3.981899  
1 1 1 33 29 4  o 13.75424 2.635741  2.309509       0.7537137 2.807323       1.081864  1.840011       1.050646  3.021078       5.271482  
1 1 1 33 29 5  o 6.093842 2.075908  -1.329301      0.7621452 -1.847546      1.118893  -0.8807090     1.040990  -0.6585355     4.151815  
1 1 1 33 29 6  o 9.410484 2.508195  0.6082756      0.7339904 1.752432       1.058548  -0.4512363     1.018640  5.000316       5.016390  
1 1 1 33 29 7  o 12.80389 3.415116  2.077429       1.020925  1.722958       1.145206  3.449820       2.253370  -2.719362      6.830232  
1 1 1 33 30 0  o 5.517994 3.783978  -0.4450246     1.268677  -0.4450246     1.268677  -0.4450246     1.268677  0.000000       0.000000  
1 1 1 33 30 1  o 9.095486 2.680699  0.5615827      0.7954004 0.4260531      1.028068  0.7636852      1.255424  -1.185914      5.361397  
1 1 1 33 30 2  o 17.13281 2.531185  3.514763       0.8345138 3.575556       1.115708  3.437562       1.257301  0.7570648      5.062369  
1 1 1 33 30 3  o 8.266561 2.575310  0.6392820E-01  0.8434653 -0.3558457     1.247776  0.4171359      1.144575  -0.9489288     5.150620  
1 1 1 33 30 4  o 8.459365 2.468061  0.4004785      0.7163102 0.9849215      0.9781114 -0.2755285     1.051945  2.384271       4.936123  
1 1 1 33 30 5  o 9.675510 2.640258  0.9310420      0.7404404 1.285421       1.028592  0.5498956      1.066731  1.737059       5.280515  
1 1 1 33 30 6  o 7.487454 2.407398  -0.1618567     0.7707849 -0.2586105     0.9864510 -0.1017900E-01 1.235101  -1.073951      4.814796  
1 1 1 33 30 7  o 13.41819 3.049704  2.713416       1.034103  3.410915       1.270484  1.344223       1.780041  5.220916       6.099407  
1 1 1 33 31 0  o 19.13646 3.996723  5.032761       1.147428  5.332778       2.546680  4.956343       1.285278  0.000000       0.000000  
1 1 1 33 31 1  o 6.848544 2.226965  -0.5457386     0.7217604 0.4010567E-01  0.9893972 -1.212134      1.055227  1.483992       4.453930  
1 1 1 33 31 2  o 7.456424 2.336738  -0.5706395     0.7584316 -1.751713      1.038198  0.7809855      1.110631  -3.827565      4.673477  
1 1 1 33 31 3  o 18.32010 2.300876  3.866500       0.8208197 3.351345       1.124465  4.454103       1.200933  -3.130684      4.601752  
1 1 1 33 31 4  o 11.53994 2.772990  1.672051       0.8264592 0.7691565      1.311958  2.266067       1.064145  -3.760887      5.545980  
1 1 1 33 31 5  o 9.524807 2.673892  0.9730126      0.7792476 1.291983       1.014726  0.5145170      1.216581  1.466355       5.347784  
1 1 1 33 31 6  o 9.615614 2.807261  0.9189320      0.8926683 1.296342       1.210690  0.4693348      1.321411  1.435484       5.614522  
1 1 1 33 32 0  o 7.445539 3.113418  0.4171132      1.056156  -4.913641      2.450139  1.633688       1.170485  0.000000       0.000000  
1 1 1 33 32 1  o 10.05347 2.581431  0.9567522      0.7615510 1.939499       1.054167  -0.1159838     1.101375  4.782324       5.162861  
1 1 1 33 32 2  o 8.906487 2.706730  0.4415976      0.8782493 0.7113576      1.185365  0.1132885      1.307690  0.7745018      5.413460  
1 1 1 33 32 3  o 7.212453 2.306535  -0.4007305     0.7635457 0.4584936      1.030316  -1.447496      1.137214  2.262688       4.613070  
1 1 1 33 32 4  o 8.183355 2.443195  0.1885411      0.7534392 1.156111       1.061162  -0.7951049     1.069941  3.406426       4.886389  
1 1 1 33 33 0  o 33.80814 2.559952  12.17991       1.301422  14.67176       3.097894  11.64590       1.434107  0.000000       0.000000  
1 1 1 33 33 1  o 9.970858 2.728643  1.153863       0.7843265 1.479842       1.114728  0.8342648      1.103763  1.549790       5.457286  
1 1 1 33 33 2  o 12.04715 2.841473  1.961296       0.8036637 2.038138       1.112057  1.877290       1.162740  0.5172157      5.682945  
1 1 1 33 33 3  o 13.38977 2.935668  2.486456       0.8687528 2.327119       1.352302  2.598428       1.133626  -1.183337      5.871335  
1 1 1 34 0  0  f 8.433908 4.062434  -0.6993271     1.631512  -0.6366000     3.452402  -0.7173637     1.851274  0.000000       0.000000  
1 1 1 34 0  1  o 25.25278 2.683732  6.795710       1.285028  6.463094       1.864751  7.096504       1.773305  0.000000       0.000000  
1 1 1 34 0  2  o 39.27315 2.723825  16.24915       1.755350  16.48028       1.986073  15.42416       3.752281  0.000000       0.000000  
1 1 1 34 0  3  o 30.72099 1.938637  9.697011       1.152932  9.385378       1.488893  10.16374       1.822096  0.000000       0.000000  
1 1 1 34 0  4  o 27.04437 2.151026  7.621713       1.130053  7.095862       1.494276  8.324258       1.727177  0.000000       0.000000  
1 1 1 34 0  5  o 22.43049 3.828883  6.121825       1.411752  5.631094       2.406084  6.379464       1.743391  0.000000       0.000000  
1 1 1 34 0  6  o 7.434156 2.920426  0.7974383      0.5805798 0.9576825      0.6163251 -0.4650505     1.729945  0.000000       0.000000  
1 1 1 34 0  7  o 6.423353 2.948494  0.1758281      0.5380572 0.1210749      0.5690354 0.6380236      1.653285  0.000000       0.000000  
1 1 1 34 0  8  f 6.883779 3.106099  0.3655881      0.6962669 0.3690748      0.7557560 0.3460197      1.790408  0.000000       0.000000  
1 1 1 34 0  9  o 11.66218 6.816312  2.137095       2.601534  2.137095       2.601534  2.137095       2.601534  0.000000       0.000000  
1 1 1 34 0  10 o 10.65418 6.061845  1.873369       1.983561  1.873369       1.983561  1.873369       1.983561  0.000000       0.000000  
1 1 1 34 0  11 o 6.839159 3.386849  -1.573817      1.676825  -4.070549      2.946365  -0.3777390     2.039296  0.000000       0.000000  
1 1 1 34 0  12 o 9.118032 3.997227  0.9004726      1.592628  -1.325464      2.662042  2.141351       1.987574  0.000000       0.000000  
1 1 1 34 0  13 o 10.74267 6.700604  2.145172       2.847123  2.145172       2.847123  2.145172       2.847123  0.000000       0.000000  
1 1 1 34 0  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 1  0  o 8.516011 3.718374  0.7263110      1.136665  0.5362664      2.124156  0.8025648      1.345517  0.000000       0.000000  
1 1 1 34 1  1  o 15.61606 2.710257  2.636592       0.8395311 2.541583       1.143752  2.747576       1.236180  -0.5834303     5.420514  
1 1 1 34 1  2  o 35.22030 1.642664  12.64971       1.152089  13.13550       1.577666  12.09467       1.686360  1.516251       3.285329  
1 1 1 34 1  3  o 24.94093 1.605373  6.323875       0.7978019 5.630861       1.114023  7.053489       1.143062  -2.841528      3.210747  
1 1 1 34 1  4  o 22.47662 1.771130  5.123320       0.7877654 4.922815       1.032963  5.402033       1.217870  -0.9876175     3.542259  
1 1 1 34 1  5  o 11.38352 2.959906  1.031808       0.8576882 1.715541       1.464416  0.6748070      1.058172  3.348112       5.919811  
1 1 1 34 1  6  o 7.751356 2.275795  0.2538477      0.5325708 -0.7022610E-01 1.059406  0.3634419      0.6160757 0.7177186      4.551589  
1 1 1 34 1  7  o 9.979998 1.883072  1.043054       0.3892462 0.7617550      0.5315915 1.368209       0.5715302 -2.684270      3.766144  
1 1 1 34 1  8  f 21.19671 2.149803  4.334247       0.6009557 4.181472       0.6424062 5.404812       1.700547  -1.760202      4.299605  
1 1 1 34 1  9  o 20.71901 4.297361  4.890983       1.952698  2.893463       2.484097  8.121496       3.159065  -9.356375      8.594723  
1 1 1 34 1  10 o 14.14019 3.660264  2.188735       1.390218  1.320617       1.930432  3.124045       2.003748  -3.521361      7.320528  
1 1 1 34 1  11 o 10.53127 3.203026  0.4480096      1.229294  -0.1252330     1.682338  1.104720       1.800656  -2.034630      6.406052  
1 1 1 34 1  12 o 11.73379 3.298048  1.436563       1.155484  1.428170       1.635532  1.444927       1.632676  -0.2833462E-01 6.596097  
1 1 1 34 1  13 o 19.65625 4.561461  6.464896       2.063408  6.812495       3.071625  6.179037       2.785509  0.4636993      9.122923  
1 1 1 34 1  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 2  0  o 5.615178 2.808070  -1.421743      1.124129  -2.503948      2.037822  -0.9483889     1.347735  0.000000       0.000000  
1 1 1 34 2  1  o 23.19300 1.813327  5.481383       0.8398150 5.405865       1.152547  5.566865       1.226230  -0.3185463     3.626653  
1 1 1 34 2  2  o 24.22892 1.962614  6.007671       0.9198934 6.001435       1.162803  6.018101       1.503862  0.1103363      3.925228  
1 1 1 34 2  3  o 17.28580 2.340899  3.188263       0.7785072 3.227576       1.074790  3.144872       1.129173  0.2846909      4.681798  
1 1 1 34 2  4  o 16.63281 2.355770  2.943336       0.7519932 2.784113       1.003468  3.147299       1.135729  -0.9810810     4.711539  
1 1 1 34 2  5  o 24.96716 1.739598  6.604225       0.6849731 6.006458       1.513606  6.758173       0.7681290 -1.837152      3.479195  
1 1 1 34 2  6  o 8.256968 2.285444  0.4555843      0.5570720 -0.4616379     1.096099  0.7750096      0.6468402 -1.336882      4.570888  
1 1 1 34 2  7  o 14.92145 2.293474  2.426409       0.6659630 2.049927       0.9557500 2.781706       0.9284700 -2.433300      4.586949  
1 1 1 34 2  8  o 19.48923 2.266061  3.131735       0.4898776 2.953362       0.5089312 5.381022       1.807244  -4.803699      4.532122  
1 1 1 34 2  9  o 10.49856 3.505219  -2.027137      1.884370  -1.794922      2.372724  -2.423757      3.100913  -1.149671      7.010437  
1 1 1 34 2  10 o 13.22627 3.618237  1.759396       1.386081  1.105005       1.966274  2.405781       1.954210  -2.309673      7.236474  
1 1 1 34 2  11 o 10.02682 3.096017  0.2323659      1.182896  -0.2243512     1.648927  0.7166049      1.697883  -1.441232      6.192035  
1 1 1 34 2  12 o 10.78540 3.099985  0.5208749      1.184299  2.223881       1.669245  -1.205204      1.680514  5.150773       6.199971  
1 1 1 34 2  13 o 8.895123 3.087531  -3.117768      1.882289  -2.858842      2.570707  -3.417023      2.763672  -0.6092072E-01 6.175062  
1 1 1 34 2  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 3  0  o 10.27931 3.916693  1.610086       1.103080  0.9967901      2.065472  1.854807       1.304728  0.000000       0.000000  
1 1 1 34 3  1  o 28.10028 1.520248  8.020534       0.8483037 8.124788       1.138438  7.890378       1.272009  0.4606590      3.040497  
1 1 1 34 3  2  o 17.58118 2.641954  3.552806       0.8861322 4.252309       1.114506  2.350619       1.461078  5.608948       5.283909  
1 1 1 34 3  3  o 27.43786 1.483626  7.632379       0.8125265 7.589188       1.113146  7.681638       1.188748  -0.1428814     2.967253  
1 1 1 34 3  4  o 15.88102 1.994749  2.649636       0.5762849 2.599385       1.012875  2.673690       0.7007651 -0.6799860     3.989499  
1 1 1 34 3  5  o 16.02229 2.049671  2.708806       0.5974815 2.667516       1.051980  2.728468       0.7259300 -0.6753569     4.099342  
1 1 1 34 3  6  o 25.27724 1.350259  6.238994       0.6341104 7.147220       1.163272  5.855026       0.7563655 2.399811       2.700518  
1 1 1 34 3  7  o 11.13907 2.547432  1.263588       0.6626241 1.670573       0.9435635 0.8675791      0.9307516 2.554344       5.094864  
1 1 1 34 3  8  o 28.22525 1.608878  7.138220       0.5327306 6.914631       0.5566636 9.572015       1.836578  -4.010672      3.217755  
1 1 1 34 3  9  o 23.18514 4.295858  6.948267       2.046494  7.963675       2.624952  5.374507       3.267911  5.630869       8.591716  
1 1 1 34 3  10 o 10.66665 3.306697  -0.7923301E-01 1.411685  -1.363029      2.008883  1.173200       1.984193  -3.021388      6.613393  
1 1 1 34 3  11 o 11.73098 3.378595  0.9030946      1.286444  -0.1695839     1.691075  2.376556       1.981971  -4.503080      6.757191  
1 1 1 34 3  12 o 14.71210 3.363701  2.768148       1.192969  1.680180       1.707798  3.804956       1.667161  -4.904402      6.727401  
1 1 1 34 3  13 o 14.72153 4.328556  3.306718       2.094543  2.923866       2.830711  3.769954       3.113736  -1.024456      8.657111  
1 1 1 34 3  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 4  0  o 9.459835 3.917164  1.184920       1.152564  1.078715       2.132793  1.228729       1.369805  0.000000       0.000000  
1 1 1 34 4  1  o 20.59667 2.379437  4.146872       0.9237560 6.276948       1.533945  2.934834       1.157099  8.187336       4.758874  
1 1 1 34 4  2  o 37.55184 1.228691  14.25108       0.9197593 14.44425       1.255952  14.02768       1.350681  0.5805054      2.457381  
1 1 1 34 4  3  o 25.05581 1.383651  6.202153       0.6618581 6.870004       1.141887  5.864269       0.8122072 1.902035       2.767302  
1 1 1 34 4  4  o 10.18377 2.501461  0.9474672      0.6103816 1.229622       0.9946281 0.7770147      0.7730691 1.862883       5.002921  
1 1 1 34 4  5  o 9.339101 2.405432  0.7686135      0.5545797 0.7115171      1.003994  0.7936838      0.6652853 0.6045742      4.810864  
1 1 1 34 4  6  o 21.26798 1.556852  4.353078       0.6276072 5.432541       1.121367  3.860716       0.7573315 3.533455       3.113704  
1 1 1 34 4  7  f 7.721327 2.274418  -0.4707806E-01 0.6337280 -0.8315524     0.9130738 0.6820567      0.8802791 -2.944685      4.548836  
1 1 1 34 4  8  o 14.93381 2.946883  2.236161       0.7671560 2.062636       0.8520775 2.978842       1.762785  -2.342340      5.893767  
1 1 1 34 4  9  f 18.07032 3.393050  3.453526       1.261473  5.671253       2.084956  2.172885       1.584370  8.040535       6.786100  
1 1 1 34 4  10 o 11.14078 3.394485  0.4169967      1.398029  -0.3901051     1.963050  1.247645       1.991479  -2.265125      6.788970  
1 1 1 34 4  11 o 13.97966 3.462642  2.301284       1.219537  1.525545       1.649567  3.236389       1.811099  -3.743745      6.925283  
1 1 1 34 4  12 o 14.30834 3.507521  2.671299       1.242056  3.059725       1.668410  2.188399       1.860277  1.964888       7.015043  
1 1 1 34 4  13 o 10.09586 3.425383  -1.480495      1.978978  -1.242308      2.925680  -1.681394      2.686933  0.6553917      6.850766  
1 1 1 34 4  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 5  0  o 8.363386 3.996400  0.9715228E-01  1.311115  -2.309275      4.034146  0.3813579      1.386378  0.000000       0.000000  
1 1 1 34 5  1  o 26.30000 1.931352  7.130718       0.9833099 6.854762       1.586981  7.302684       1.252768  -0.9922409     3.862703  
1 1 1 34 5  2  o 28.48528 1.265028  8.144175       0.6849509 8.366887       1.173563  8.029113       0.8435305 0.4997387      2.530055  
1 1 1 34 5  3  o 29.43739 1.234968  8.920822       0.6910400 8.185549       1.148493  9.338076       0.8651761 -2.038046      2.469936  
1 1 1 34 5  4  o 24.24499 1.489410  6.245469       0.6881859 4.442792       1.026288  7.718292       0.9276533 -6.791161      2.978819  
1 1 1 34 5  5  o 11.73494 2.220093  1.575912       0.5734112 0.6304926      0.9345963 2.146632       0.7261453 -5.005260      4.440186  
1 1 1 34 5  6  o 31.53346 1.163992  10.07510       0.7005838 9.971178       1.178707  10.13187       0.8711622 -0.3549404     2.327983  
1 1 1 34 5  7  f 16.38515 2.113290  2.820292       0.6751872 3.332281       1.001311  2.393395       0.9143246 3.066936       4.226580  
1 1 1 34 5  8  o 10.15115 2.602599  0.9486452      0.7323210 1.458985       0.8528235 -0.4841954     1.428987  2.927941       5.205198  
1 1 1 34 5  9  f 15.59849 3.708512  2.756968       1.431738  1.585205       2.162513  3.671449       1.910407  -4.114786      7.417023  
1 1 1 34 5  10 o 8.229588 2.765200  -1.535842      1.198193  -1.651449      1.525137  -1.349434      1.936637  -1.440822      5.530400  
1 1 1 34 5  11 o 13.21173 3.338870  1.709735       1.204905  0.3730802      1.598487  3.468488       1.833589  -6.359210      6.677740  
1 1 1 34 5  12 o 9.631813 3.065043  -0.5589952E-01 1.239526  0.2246401E-01  1.708211  -0.1430473     1.801410  0.3185272E-03  6.130085  
1 1 1 34 5  13 o 11.98429 3.833406  0.8589760      1.980721  1.981316       2.857560  -0.1789344     2.747977  2.136796       7.666813  
1 1 1 34 5  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 6  0  o 15.51925 4.890584  3.555874       1.397153  2.725696       4.149770  3.662009       1.483778  0.000000       0.000000  
1 1 1 34 6  1  o 33.28162 1.200731  11.11836       0.7650952 11.38440       1.289775  10.97392       0.9503643 0.5260658      2.401462  
1 1 1 34 6  2  o 24.29727 1.445561  6.133867       0.6699000 5.437952       1.092972  6.552602       0.8478155 -2.373219      2.891121  
1 1 1 34 6  3  o 21.72098 1.562497  4.515024       0.6574579 6.065176       1.110039  3.677388       0.8159783 5.385548       3.124994  
1 1 1 34 6  4  o 16.48991 2.019328  2.883538       0.6365289 2.633350       0.9779040 3.067468       0.8384717 -1.667791      4.038656  
1 1 1 34 6  5  f 23.08887 1.611505  5.594656       0.6821749 5.045782       1.206492  5.852594       0.8270763 -1.917477      3.223009  
1 1 1 34 6  6  o 7.861354 2.463418  -0.9770185E-01 0.6480058 -0.3651139     1.417077  -0.2699929E-01 0.7286524 2.063468       4.926836  
1 1 1 34 6  7  o 10.14186 2.516473  1.000445       0.6385669 0.7478895      0.9495831 1.208939       0.8627837 -1.228868      5.032947  
1 1 1 34 6  8  o 8.461123 2.628276  -0.4685990E-01 0.7576727 -0.4002318E-01 0.8769031 -0.6699803E-01 1.505003  -2.113395      5.256552  
1 1 1 34 6  9  o 9.980246 2.904033  0.5318179      0.7013974 0.4808825      0.7585912 0.8319057      1.841292  -3.535637      5.808065  
1 1 1 34 6  10 o 10.58965 3.194901  0.5306099      1.201936  0.9974751      1.506550  -0.2868703     1.993547  0.8561144      6.389803  
1 1 1 34 6  11 o 14.91845 3.388944  2.537195       1.188948  1.424477       1.542366  4.166679       1.866466  -6.231884      6.777888  
1 1 1 34 6  12 o 12.55340 3.371048  1.701183       1.225500  2.796060       1.764805  0.6815557      1.703079  4.048131       6.742096  
1 1 1 34 6  13 o 11.89727 3.804925  0.8889889      1.940556  0.4602095E-01  2.646831  1.868759       2.853533  -1.932177      7.609850  
1 1 1 34 6  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 7  0  o 8.522105 3.085625  1.110164       0.7749748 -1.389912      2.001264  1.551204       0.8405568 0.000000       0.000000  
1 1 1 34 7  1  o 23.60388 1.573551  5.631369       0.6907673 5.741426       1.232143  5.580924       0.8341881 0.1989365      3.147102  
1 1 1 34 7  2  o 10.40930 2.469060  1.088992       0.6059256 0.7429348      1.025058  1.274852       0.7512201 -1.163043      4.938120  
1 1 1 34 7  3  o 12.11787 2.482544  1.549487       0.6130192 1.592323       1.057728  1.527821       0.7522374 0.3616934      4.965088  
1 1 1 34 7  4  o 8.845257 2.371452  0.3405474      0.5912218 1.233558       0.9912573 -0.1525370     0.7365778 4.495454       4.742904  
1 1 1 34 7  5  o 10.44791 2.588778  0.8283789      0.6485757 1.722907       1.153690  0.4150388      0.7842340 4.550695       5.177555  
1 1 1 34 7  6  o 9.969169 2.334055  0.9980109      0.5868602 0.1856139      0.9826555 1.448414       0.7316744 -3.271433      4.668109  
1 1 1 34 7  7  o 7.766408 2.243670  0.8289454E-02  0.6189838 -0.8886788     0.9033617 0.8021176      0.8498384 -3.319784      4.487340  
1 1 1 34 7  8  o 14.24800 2.721384  2.228705       0.7668990 2.148753       0.9469481 2.381090       1.307323  -0.5756884     5.442767  
1 1 1 34 7  9  o 9.821844 2.709177  0.7726368      0.7545994 1.147803       0.8421049 -0.7563260     1.700015  1.350865       5.418355  
1 1 1 34 7  10 o 10.69392 3.110974  0.5107334      1.201372  1.732217       1.521323  -1.513036      1.958205  3.706285       6.221948  
1 1 1 34 7  11 o 18.04566 3.310274  3.999889       1.186148  3.703032       1.525271  4.454117       1.886728  -1.262310      6.620548  
1 1 1 34 7  12 o 9.950823 3.140381  0.1690832      1.266197  0.3225900      1.690791  -0.2693927E-01 1.910642  0.8290291E-02  6.280762  
1 1 1 34 7  13 o 11.06745 3.551739  0.2134654      1.772547  -1.504506      2.518862  1.898811       2.494830  -3.117400      7.103478  
1 1 1 34 7  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 8  0  o 18.30478 3.671461  4.289284       0.8350750 3.979791       2.314885  4.335585       0.8953635 0.000000       0.000000  
1 1 1 34 8  1  o 41.98587 0.9282362 17.73254       0.7792857 17.34648       1.103821  18.11617       1.100340  -0.9173584     1.856472  
1 1 1 34 8  2  o 22.92755 1.385521  5.368079       0.6298495 4.889169       0.9256548 5.780985       0.8595027 -1.967026      2.771041  
1 1 1 34 8  3  o 20.61329 1.634467  4.292013       0.6470241 4.481723       1.087332  4.188013       0.8050730 0.5922203      3.268935  
1 1 1 34 8  4  o 16.03383 2.251418  2.716624       0.6918947 2.389996       0.9126945 3.157963       1.060924  -2.270397      4.502837  
1 1 1 34 8  5  o 21.42100 1.475999  4.338171       0.6082929 6.042721       1.048710  3.473905       0.7467487 5.868317       2.951999  
1 1 1 34 8  6  o 8.580029 2.221365  0.9506158E-01  0.5323057 1.472286       0.9591495 -0.5179206     0.6398937 6.391231       4.442730  
1 1 1 34 8  7  o 12.90509 2.438308  1.831874       0.6398331 1.829617       0.9438365 1.833794       0.8703461 -0.3678417E-01 4.876616  
1 1 1 34 8  8  o 12.13739 2.753227  1.646330       0.7578179 1.923004       0.9053183 0.9986236      1.385178  2.115839       5.506454  
1 1 1 34 8  9  o 8.389339 2.696955  -0.4375754     0.7111640 -0.5942332     0.7746992 0.4016892      1.793108  -4.951711      5.393910  
1 1 1 34 8  10 o 11.01574 3.318638  0.7124203      1.238190  0.7541358      1.524493  0.6315638      2.122436  -0.9171534     6.637276  
1 1 1 34 8  11 o 10.74762 3.188315  0.7253452      1.149418  0.3198588      1.509405  1.285045       1.773354  -2.063951      6.376629  
1 1 1 34 8  12 o 10.96383 3.181230  1.049928       1.141472  1.689098       1.611641  0.4065472      1.616941  2.190971       6.362460  
1 1 1 34 8  13 o 9.458036 3.215843  -1.514819      1.773278  -1.276750      2.380634  -1.811545      2.657782  -0.9958553E-01 6.431687  
1 1 1 34 8  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 9  0  o 8.934688 3.293246  1.232653       0.7937901 -0.3674742     2.004420  1.530281       0.8644673 0.000000       0.000000  
1 1 1 34 9  1  o 9.080662 2.309098  0.6609145      0.5569977 1.122658       0.8052700 0.2373522      0.7712579 2.810536       4.618196  
1 1 1 34 9  2  o 9.369823 2.170291  0.7023401      0.5648931 -0.3684362     0.8487046 1.554017       0.7569110 -5.322220      4.340583  
1 1 1 34 9  3  o 13.67159 2.547165  1.986748       0.6522747 2.080191       1.254420  1.952121       0.7636288 0.3382826      5.094329  
1 1 1 34 9  4  o 7.576237 2.425698  -0.5552026     0.7757044 -0.2776547     1.224327  -0.7413312     1.002616  1.571286       4.851396  
1 1 1 34 9  5  o 8.947491 2.462999  0.5437362      0.6358084 0.7424309      0.9310253 0.3700864      0.8703735 1.174162       4.925998  
1 1 1 34 9  6  o 8.570630 2.273249  0.5553250      0.5643467 -0.1950500     0.9438420 0.9728747      0.7040673 -2.338006      4.546498  
1 1 1 34 9  7  o 9.685484 2.550983  0.7426662      0.5456780 1.008882       1.277981  0.6833092      0.6034533 2.490691       5.101967  
1 1 1 34 9  8  o 10.16479 3.030906  0.3704328      0.8544421 0.2395041      0.9503422 0.9227077      1.951823  -3.818381      6.061813  
1 1 1 34 9  9  f 9.216698 2.294880  0.4900784      0.6993865 1.627364       0.8579156 -1.763238      1.207594  5.717833       4.589760  
1 1 1 34 9  10 o 8.531781 2.509703  0.4277216      0.6179551 0.4710110      0.6982102 0.2712223      1.327553  -1.390741      5.019406  
1 1 1 34 9  11 o 10.81688 3.223126  0.8306986      1.191397  0.8225986      1.677325  0.8389464      1.692558  -0.5237007E-01 6.446252  
1 1 1 34 9  12 o 13.71820 3.805782  2.109314       1.382017  1.384091       1.615694  4.086707       2.667900  -4.635777      7.611565  
1 1 1 34 9  13 o 10.18415 4.854581  0.000000       0.000000  ?              ?         -0.9538316     2.711880  ?              ?         
1 1 1 34 9  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 10 0  o 6.856737 3.269841  -0.7968283     0.7791916 1.321499       2.066479  -1.147921      0.8412890 0.000000       0.000000  
1 1 1 34 10 1  o 34.96012 1.034022  12.34731       0.7181684 14.15671       1.025596  10.60647       1.005976  5.072292       2.068043  
1 1 1 34 10 2  o 22.08329 1.323546  4.936069       0.5839679 4.635287       0.8110887 5.259798       0.8414592 -1.403025      2.647092  
1 1 1 34 10 3  o 6.706698 2.205661  -0.7389595     0.6840924 -1.001436      1.168607  -0.6021213     0.8437761 0.8445792      4.411323  
1 1 1 34 10 4  o 13.11265 2.505738  1.840848       0.6635373 1.707352       0.8589256 2.038433       1.044956  -1.105012      5.011477  
1 1 1 34 10 5  o 14.19052 2.252878  2.234521       0.6428668 1.425400       0.9670969 2.875120       0.8605108 -5.084852      4.505756  
1 1 1 34 10 6  o 7.789292 2.252347  0.6461953E-01  0.5582764 0.7851506      0.9322826 -0.3382117     0.6970803 3.591213       4.504694  
1 1 1 34 10 7  o 17.15806 1.866735  3.225482       0.5532607 2.778194       1.008553  3.418025       0.6617116 -2.355704      3.733470  
1 1 1 34 10 8  o 15.65338 2.753156  2.972052       0.8359288 3.378010       0.9712772 1.812317       1.641656  4.746056       5.506313  
1 1 1 34 10 9  o 19.26532 2.473588  4.143684       0.9212773 4.276036       1.229733  3.974376       1.390860  1.341902       4.947176  
1 1 1 34 10 10 o 12.27157 2.448870  1.835581       0.6669075 2.341029       0.8350663 0.9455069      1.108142  4.402550       4.897741  
1 1 1 34 10 11 o 11.54259 3.487719  1.006409       1.440363  -0.3663295     2.611946  1.606277       1.726626  -1.222856      6.975437  
1 1 1 34 10 12 o 10.90917 3.308495  0.9671029      1.273413  1.340362       1.509569  0.4614449E-01  2.371198  0.5407829      6.616991  
1 1 1 34 10 13 o 11.44397 5.170466  0.000000       0.000000  ?              ?         0.7942464      2.519360  ?              ?         
1 1 1 34 10 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 11 0  o 10.77934 3.861555  1.110220       0.7650489 3.189249       2.069321  0.7810544      0.8233882 0.000000       0.000000  
1 1 1 34 11 1  o 9.254080 2.432619  0.6944311      0.6178153 1.004273       0.8281340 0.3055419      0.9277773 1.683055       4.865239  
1 1 1 34 11 2  o 22.52804 1.382197  5.173268       0.6202363 5.558326       0.8636385 4.763140       0.8913091 1.775759       2.764394  
1 1 1 34 11 3  f 14.90172 2.262870  2.507939       0.6820223 1.241130       1.008993  3.573679       0.9254616 -7.540435      4.525740  
1 1 1 34 11 4  o 8.032022 2.346738  0.1920115      0.5849931 0.5067469      1.005116  0.3078215E-01  0.7193916 2.219401       4.693477  
1 1 1 34 11 5  o 12.91061 2.489617  1.813082       0.6584985 1.849001       0.9769815 1.783179       0.8914059 0.2180328      4.979234  
1 1 1 34 11 6  o 18.18778 1.516709  3.390470       0.5512016 3.564403       0.7811387 3.217974       0.7779048 0.9505196      3.033418  
1 1 1 34 11 7  o 7.459164 2.106450  0.2945313      0.4756483 0.5184698      0.7207397 0.1217486      0.6330884 1.480802       4.212899  
1 1 1 34 11 8  o 13.37655 2.539599  1.822986       0.6053334 1.697157       0.6849779 2.271649       1.293439  -1.691455      5.079198  
1 1 1 34 11 9  o 8.467917 2.538788  0.1743477      0.7462465 -0.1342918     0.9870645 0.5861140      1.140106  -1.888927      5.077575  
1 1 1 34 11 10 o 8.284792 2.463255  0.3089835      0.6674666 0.3116671      0.8266776 0.3039577      1.131313  -0.9170475     4.926509  
1 1 1 34 11 11 o 13.77196 3.368108  2.122288       1.204338  0.8483936      1.591836  3.827569       1.841746  -6.305305      6.736217  
1 1 1 34 11 12 o 16.88878 4.325376  4.636264       1.876406  4.534089       2.507509  4.766291       2.828709  0.1798439E-01  8.650751  
1 1 1 34 11 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 12 0  f 5.432323 2.686773  -1.111845      1.008859  -1.350297      1.574117  -0.9456200     1.314269  0.000000       0.000000  
1 1 1 34 12 1  o 15.07577 2.050084  2.446913       0.5969311 2.817488       0.8051726 1.994666       0.8894868 3.024064       4.100169  
1 1 1 34 12 2  o 11.74429 2.247970  1.482844       0.5515247 1.098502       0.7833723 1.860588       0.7766189 -2.813791      4.495940  
1 1 1 34 12 3  f 26.84575 1.284118  7.287898       0.6773199 7.381407       1.064824  7.224352       0.8777918 0.2244225      2.568235  
1 1 1 34 12 4  o 28.42496 1.179150  8.141314       0.6625751 8.366016       1.023487  7.979207       0.8693208 0.6281204      2.358300  
1 1 1 34 12 5  o 20.55248 1.597061  4.138130       0.6400983 5.274445       1.058663  3.483347       0.8036317 4.212858       3.194121  
1 1 1 34 12 6  o 24.93893 1.190360  6.305085       0.5934842 6.470816       0.8543411 6.150523       0.8250518 0.6295452      2.380719  
1 1 1 34 12 7  f 20.98037 1.318120  4.479509       0.5508690 5.059524       0.7980402 3.951604       0.7613475 2.620949       2.636239  
1 1 1 34 12 8  o 8.296542 2.095560  0.4873010      0.5112016 -0.3753057     0.7780058 1.142664       0.6781368 -4.003512      4.191119  
1 1 1 34 12 9  o 15.96929 2.466915  2.766122       0.7056266 2.575784       0.8310799 3.257710       1.335614  -1.278356      4.933830  
1 1 1 34 12 10 o 22.72496 1.830079  5.820328       0.7134103 6.230764       0.8407038 4.764396       1.348459  3.802042       3.660159  
1 1 1 34 12 11 o 10.30700 2.497820  0.9588839      0.7058137 2.036526       1.020331  -0.2997189E-01 0.9773954 5.500556       4.995641  
1 1 1 34 12 12 o 8.777971 3.773006  0.3646390      1.194333  0.3646390      1.194333  ?              ?         ?              ?         
1 1 1 34 12 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 13 0  o 8.416579 3.548563  0.8297156      1.004552  1.261158       1.627019  0.5639269      1.277025  0.000000       0.000000  
1 1 1 34 13 1  o 12.14926 2.273224  1.599429       0.5717354 1.993429       0.7975536 1.182913       0.8200267 2.938433       4.546447  
1 1 1 34 13 2  o 16.58925 2.112192  2.955101       0.6579232 3.130206       0.8375939 2.673017       1.063101  1.805330       4.224385  
1 1 1 34 13 3  o 10.23240 2.450587  1.033311       0.6022756 0.8277814      0.8669918 1.224995       0.8372778 -1.229391      4.901175  
1 1 1 34 13 4  o 18.71772 1.629756  3.674710       0.5885563 4.711298       0.8268531 2.610121       0.8379463 5.618375       3.259512  
1 1 1 34 13 5  o 12.13230 2.310620  1.608344       0.5730693 1.559757       0.7976601 1.660174       0.8238593 -0.3630104     4.621240  
1 1 1 34 13 6  o 7.716714 2.213564  0.3026707      0.5334582 0.2658525      0.7452201 0.3413657      0.7639773 -0.2716532     4.427128  
1 1 1 34 13 7  o 18.86718 1.430723  3.583106       0.5340441 4.416687       0.8078681 2.936103       0.7117373 3.870783       2.861445  
1 1 1 34 13 8  o 11.42039 2.272798  1.363699       0.4977362 1.655130       0.9544884 1.254852       0.5833278 1.428938       4.545596  
1 1 1 34 13 9  o 12.88568 2.482543  2.037528       0.7167267 2.745806       0.9106348 0.8845218      1.161871  5.662081       4.965085  
1 1 1 34 13 10 o 7.114516 2.281555  -0.2170772     0.6384544 -0.4855278E-01 0.7388029 -0.7141233     1.268807  -0.9258633     4.563110  
1 1 1 34 13 11 o 15.56962 3.689398  2.364352       1.026097  1.829923       1.107667  5.597228       2.724324  -6.566534      7.378795  
1 1 1 34 13 12 o 6.867624 3.304089  -1.396687      1.331773  -1.396687      1.331773  ?              ?         ?              ?         
1 1 1 34 13 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 14 0  o 7.365069 2.944436  0.6416187      0.7824669 -1.333122      1.618493  1.243953       0.8938702 0.000000       0.000000  
1 1 1 34 14 1  o 14.13358 2.110229  2.118862       0.5901898 1.618735       0.8270536 2.637806       0.8424687 -3.775100      4.220457  
1 1 1 34 14 2  o 10.17452 2.487602  1.006128       0.6141267 1.048561       0.8121272 0.9494563      0.9385353 0.6840420E-01  4.975205  
1 1 1 34 14 3  o 24.86635 1.416380  6.356232       0.6910844 5.918532       1.064782  6.674817       0.9084183 -1.588482      2.832760  
1 1 1 34 14 4  o 19.24421 1.694975  3.841468       0.6472907 3.485669       0.9444135 4.156682       0.8889194 -1.777948      3.389950  
1 1 1 34 14 5  o 6.248083 2.014449  -0.4716114     0.5569420 -0.6351779     0.7555264 -0.2769499     0.8242188 -0.9395437     4.028897  
1 1 1 34 14 6  o 25.25411 1.217778  6.486789       0.6142529 6.434514       0.8899039 6.534359       0.8489145 -0.2175713     2.435556  
1 1 1 34 14 7  o 27.29754 1.122177  7.570932       0.6111006 7.264778       0.8845631 7.850466       0.8452313 -1.089952      2.244355  
1 1 1 34 14 8  o 7.185699 2.156373  -0.1153328     0.5508820 0.6237679      0.8826626 -0.5869161     0.7050536 3.305723       4.312747  
1 1 1 34 14 9  o 11.77407 2.937471  1.464154       0.8787981 0.8906064      1.177963  2.184022       1.319695  -3.394139      5.874942  
1 1 1 34 14 10 o 23.75514 1.942734  6.344907       0.8783494 7.548251       1.167683  4.776669       1.333019  6.070448       3.885469  
1 1 1 34 14 11 o 9.941993 3.083579  0.5342053      0.9334244 0.5036111      1.020931  0.6900715      2.304373  -2.565371      6.167158  
1 1 1 34 14 12 o 8.322385 3.722458  -0.1131410E-01 1.275166  -0.1131410E-01 1.275166  ?              ?         ?              ?         
1 1 1 34 14 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 15 0  o 7.807220 3.282563  0.7695459      0.8119594 0.5149253      1.637044  0.8526218      0.9350844 0.000000       0.000000  
1 1 1 34 15 1  o 8.636443 2.318767  0.5476773      0.5658870 0.8424454      0.7898609 0.2368182      0.8111330 1.664928       4.637534  
1 1 1 34 15 2  o 9.207086 2.391075  0.7375786      0.5808669 0.8535126      0.8155838 0.6182361      0.8274852 0.6832428      4.782150  
1 1 1 34 15 3  o 11.21607 2.488491  1.174992       0.7523715 -0.2947611     1.141312  2.304578       1.000557  -6.489217      4.976982  
1 1 1 34 15 4  o 26.06631 1.227456  6.917543       0.6377693 6.287643       0.9032152 7.543904       0.9006742 -2.410892      2.454912  
1 1 1 34 15 5  o 31.73558 1.154339  9.898169       0.7132283 8.937108       0.8944523 11.57617       1.181893  -4.034214      2.308679  
1 1 1 34 15 6  o 10.80672 2.297173  1.148822       0.5650315 0.5844970      0.7490966 1.893667       0.8606091 -4.637419      4.594346  
1 1 1 34 15 7  o 6.028890 1.966621  -0.5683672     0.5576179 -0.3461571     0.7904395 -0.7885107     0.7867550 0.7230525      3.933243  
1 1 1 34 15 8  o 7.918093 2.303833  0.3264872      0.5862095 0.3947800      0.8658832 0.2686996      0.7965063 0.5379877      4.607666  
1 1 1 34 15 9  o 10.39575 2.557933  1.187417       0.6522469 1.417237       0.7721574 0.6149886      1.218632  1.603925       5.115866  
1 1 1 34 15 10 o 8.886249 2.626632  0.2563269      0.7784111 -0.2604238     0.9882979 1.100729       1.263345  -3.373423      5.253265  
1 1 1 34 15 11 o 14.68645 3.906774  2.678210       1.167850  2.678210       1.167850  ?              ?         ?              ?         
1 1 1 34 15 12 o 8.115555 3.762770  -0.5539137     1.458492  -0.5539137     1.458492  ?              ?         ?              ?         
1 1 1 34 15 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 16 0  o 22.33561 2.178384  5.009896       0.8495860 6.065276       1.631384  4.617153       0.9951889 0.000000       0.000000  
1 1 1 34 16 1  o 19.68766 1.639505  3.949506       0.6430971 3.611497       0.8658331 4.365438       0.9604637 -1.860277      3.279011  
1 1 1 34 16 2  o 11.65529 2.409416  1.492443       0.6294741 1.995405       0.8381590 0.8417418      0.9533448 3.735683       4.818831  
1 1 1 34 16 3  o 13.93747 2.259808  2.148867       0.6180758 1.797322       0.9129288 2.446365       0.8398226 -2.306402      4.519617  
1 1 1 34 16 4  o 12.39363 2.560867  1.781789       0.6744925 0.9919996      1.290305  2.078751       0.7912003 -2.953980      5.121734  
1 1 1 34 16 5  o 12.04804 2.336582  1.592511       0.5728904 1.557229       0.9094329 1.615723       0.7376507 -0.2297087     4.673164  
1 1 1 34 16 6  o 9.012101 2.269526  0.7495121      0.5155773 0.9157336      0.7636238 0.6102595      0.6989358 1.171976       4.539052  
1 1 1 34 16 7  o 23.32201 1.270466  5.537496       0.5901541 6.105515       0.8843202 5.081393       0.7924283 2.128624       2.540933  
1 1 1 34 16 8  o 8.406517 2.295834  0.5590518      0.5400838 0.7926756      0.8502688 0.4010385      0.6992694 1.544420       4.591668  
1 1 1 34 16 9  o 9.193363 2.579991  0.6878323      0.7081199 0.9570141      0.8524758 0.8868375E-01  1.271822  0.9122314      5.159981  
1 1 1 34 16 10 o 8.550875 2.537098  0.4047475      0.6839993 0.3765228      0.8171223 0.4708280      1.250283  -1.360793      5.074196  
1 1 1 34 16 11 o 7.066161 3.229345  -0.3803728     1.028927  -0.3803728     1.028927  ?              ?         ?              ?         
1 1 1 34 16 12 o 9.081083 4.205423  -0.3024417     1.814861  -0.3024417     1.814861  ?              ?         ?              ?         
1 1 1 34 17 0  o 8.690571 3.472277  1.031350       0.8331764 1.436451       1.581936  0.8758411      0.9801353 0.000000       0.000000  
1 1 1 34 17 1  o 8.228954 2.361582  0.2968415      0.6373535 0.7364208      0.7946746 -0.4957687     1.067089  1.726229       4.723164  
1 1 1 34 17 2  o 22.53489 1.455303  5.143718       0.6517395 5.588465       0.9917539 4.805655       0.8646598 1.669222       2.910605  
1 1 1 34 17 3  o 7.758906 2.261895  0.2136833      0.5734915 -0.2575194E-01 0.7982107 0.4691544      0.8245072 -1.303687      4.523790  
1 1 1 34 17 4  o 14.14150 2.771924  2.072953       0.7858039 2.953250       1.347500  1.619321       0.9673105 3.958988       5.543849  
1 1 1 34 17 5  o 18.97339 1.563534  3.700308       0.5923808 3.879019       0.8305607 3.515270       0.8451352 0.9672756      3.127068  
1 1 1 34 17 6  o 14.55155 2.140523  2.321881       0.6110057 2.631808       0.8334528 1.961785       0.8983805 2.602519       4.281046  
1 1 1 34 17 7  o 6.415117 2.025969  -0.3785051     0.5607030 -1.030507      0.8221164 0.1885451      0.7666897 -1.864236      4.051939  
1 1 1 34 17 8  f 18.77432 1.584692  3.604546       0.5874923 4.306269       0.9238427 3.128095       0.7612439 2.964117       3.169385  
1 1 1 34 17 9  o 8.890676 2.589440  0.4735447      0.7040982 0.3013441      0.8582082 0.8281162      1.231480  -2.095262      5.178880  
1 1 1 34 17 10 o 7.521583 2.573887  -0.6785308     0.8163927 -0.3592389     0.8605902 -3.549714      2.580672  -2.052055      5.147774  
1 1 1 34 17 11 o 9.010195 4.053032  0.5105870E-01  1.531261  0.5105870E-01  1.531261  ?              ?         ?              ?         
1 1 1 34 17 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 18 0  o 5.853279 2.810326  -0.4450697     0.9345888 -0.9731897     1.528297  -0.1296006     1.181190  0.000000       0.000000  
1 1 1 34 18 1  o 17.29892 1.849860  3.177125       0.6144404 3.600584       0.8442397 2.700186       0.8959652 2.871320       3.699719  
1 1 1 34 18 2  o 15.78548 1.981488  2.607189       0.6046492 2.021413       0.8151724 3.323670       0.9015424 -4.300150      3.962975  
1 1 1 34 18 3  o 9.634365 2.385158  0.8909857      0.5800919 1.176784       0.7990677 0.5725342      0.8434804 1.820029       4.770316  
1 1 1 34 18 4  o 15.21337 2.010975  2.462887       0.5956126 2.018301       0.8313916 2.931649       0.8536983 -3.229358      4.021950  
1 1 1 34 18 5  o 7.181758 2.185250  0.4575877E-02  0.5670485 0.1183622      0.8299834 -0.9502790E-01 0.7765373 0.6853156      4.370500  
1 1 1 34 18 6  o 9.822811 2.448340  0.9842161      0.6049877 1.171811       0.8164954 0.7558419      0.9008791 1.149598       4.896680  
1 1 1 34 18 7  o 14.50027 2.507962  2.194860       0.6862406 3.273948       1.236995  1.715105       0.8248009 4.475062       5.015924  
1 1 1 34 18 8  o 8.604807 2.419442  0.4895566      0.6089785 0.8827118      1.002673  0.2597633      0.7665597 2.234569       4.838883  
1 1 1 34 18 9  o 13.07123 2.626425  1.513259       0.7137387 0.7170601      0.8374169 3.627486       1.364604  -8.450719      5.252849  
1 1 1 34 18 10 o 10.62543 2.746491  1.238110       0.7140250 1.185466       0.8449279 1.369633       1.335494  -0.8779383     5.492982  
1 1 1 34 18 11 o 20.26178 3.993254  5.091584       1.560582  5.091584       1.560582  ?              ?         ?              ?         
1 1 1 34 18 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34 19 0  o 17.60351 3.513411  4.525552       0.9427031 3.033411       2.055190  4.923154       1.060893  0.000000       0.000000  
1 1 1 34 19 1  o 9.943249 2.579882  0.8997830      0.6691514 0.9998416      1.004284  0.8198956      0.8973629 0.7405519      5.159763  
1 1 1 34 19 2  o 20.88670 1.593723  4.498133       0.6614982 5.125898       0.9435697 3.891394       0.9276333 2.945095       3.187447  
1 1 1 34 19 3  o 11.35210 2.412730  1.391780       0.5911289 1.429001       0.8600442 1.358451       0.8138338 0.2713881      4.825460  
1 1 1 34 19 4  o 7.413692 2.248605  0.3444976E-01  0.5982519 0.1139330      0.8375127 -0.4836142E-01 0.8548663 0.2770085      4.497210  
1 1 1 34 19 5  o 6.464879 2.082497  -0.5729161     0.6096956 -1.103821      0.8431599 0.8919522E-02  0.8826766 -1.914676      4.164994  
1 1 1 34 19 6  o 18.67919 2.151004  4.143650       0.7143759 5.008152       0.9101161 2.756186       1.152988  6.578622       4.302009  
1 1 1 34 19 7  o 10.19292 2.619107  1.037621       0.7051260 0.6603640      0.9978482 1.413899       0.9965509 -2.067187      5.238215  
1 1 1 34 19 8  o 8.861898 2.420227  0.6454145      0.6554273 -0.2843924     1.130405  1.116313       0.8044547 -2.391073      4.840453  
1 1 1 34 19 9  o 14.86291 2.678662  2.653348       0.7733579 2.596231       0.9570203 2.760840       1.312868  0.1414032      5.357324  
1 1 1 34 19 10 o 8.170382 2.643104  -0.2050889     0.7674564 -0.3336414     0.8547059 0.3298824      1.743580  -3.365040      5.286207  
1 1 1 34 19 11 o 9.082520 4.273757  -0.7381785     2.020964  -0.7381785     2.020964  ?              ?         ?              ?         
1 1 1 34 20 0  o 22.26345 2.909668  5.055906       0.9704403 6.654092       2.139841  4.642095       1.088852  0.000000       0.000000  
1 1 1 34 20 1  o 7.739511 2.334284  -0.5618595E-01 0.6733904 -0.7988465     1.023269  0.5111130      0.8943360 -1.979252      4.668568  
1 1 1 34 20 2  o 11.97374 2.611861  1.561250       0.6722457 1.634959       0.8278760 1.418573       1.151816  0.4893885      5.223722  
1 1 1 34 20 3  o 8.331146 2.467382  0.2346988      0.6910848 0.3278066      0.9943993 0.1477164      0.9611326 0.5047350      4.934763  
1 1 1 34 20 4  o 8.833441 2.462966  0.4279575      0.6751520 -0.1517592     0.9260688 1.085673       0.9864028 -3.089854      4.925933  
1 1 1 34 20 5  o 7.888138 2.279186  0.8976598E-01  0.6498941 0.8827121      0.8441709 -1.064055      1.018305  3.192672       4.558373  
1 1 1 34 20 6  f 9.894936 2.485931  0.8921133      0.6415277 0.3655600      0.8492862 1.591779       0.9789900 -3.740407      4.971863  
1 1 1 34 20 7  o 11.02150 2.349730  1.305068       0.6327162 0.3782859      0.9109679 2.168841       0.8794556 -5.554953      4.699461  
1 1 1 34 20 8  o 18.70928 2.533790  4.195396       0.9066257 5.137356       1.223261  3.047317       1.350483  6.051709       5.067580  
1 1 1 34 20 9  o 9.307095 2.706996  0.6755477      0.7511730 0.6441479      0.8872850 0.7549943      1.411358  -1.287253      5.413992  
1 1 1 34 20 10 o 7.842384 2.496083  0.1145885E-01  0.7436261 0.2373890      0.8398368 -0.8086134     1.600051  -0.6733646     4.992166  
1 1 1 34 20 11 o 15.54836 5.121083  3.845819       1.845186  3.845819       1.845186  ?              ?         ?              ?         
1 1 1 34 21 0  o 28.84213 2.169832  8.572619       1.237586  8.572619       1.237586  8.572619       1.237586  0.000000       0.000000  
1 1 1 34 21 1  o 15.01833 2.294132  2.495360       0.6708411 2.046974       0.9515226 2.938487       0.9459274 -2.923122      4.588264  
1 1 1 34 21 2  o 10.32566 2.385683  0.9919697      0.6455054 1.867822       0.8986516 0.5835464E-01  0.9278116 5.188333       4.771366  
1 1 1 34 21 3  o 20.06100 1.764131  4.226050       0.7075376 4.289527       0.9925402 4.160467       1.008878  0.3379669      3.528262  
1 1 1 34 21 4  o 14.02560 2.413899  2.281427       0.6790025 2.715196       0.9193919 1.760949       1.007100  3.260163       4.827798  
1 1 1 34 21 5  f 9.758312 2.520190  0.8936800      0.6538838 0.5077204      0.8875328 1.351884       0.9670368 -2.524343      5.040381  
1 1 1 34 21 6  o 10.14167 2.599094  1.055578       0.6803476 1.045668       0.9696189 1.065189       0.9548643 -0.3368568E-01 5.198188  
1 1 1 34 21 7  o 7.224154 2.257791  -0.2682065     0.6753811 0.4002192      0.9407787 -0.9790429     0.9701653 2.194610       4.515583  
1 1 1 34 21 8  f 8.928065 2.685165  0.3326918      0.7397225 0.1327916      0.8561108 0.9216080      1.469434  -3.026867      5.370331  
1 1 1 34 21 9  o 8.667391 2.540658  0.5261723      0.7218130 0.8775400      0.8301745 -0.5623779     1.461210  1.044295       5.081317  
1 1 1 34 21 10 o 11.82501 3.211186  1.639825       1.035862  1.340055       1.297734  2.166177       1.719609  -1.914523      6.422371  
1 1 1 34 21 11 o 13.10287 5.242376  2.795213       2.078168  2.795213       2.078168  ?              ?         ?              ?         
1 1 1 34 22 0  o 25.92176 2.476348  7.446303       1.041757  7.076252       1.992955  7.585429       1.221996  0.000000       0.000000  
1 1 1 34 22 1  o 12.73765 2.682650  1.866319       0.7430310 1.548414       1.080899  2.151130       1.023091  -1.898123      5.365299  
1 1 1 34 22 2  o 14.93287 2.330065  2.543550       0.7030498 1.597144       1.009807  3.433843       0.9794142 -6.095078      4.660129  
1 1 1 34 22 3  o 12.61964 2.563949  1.823853       0.6863199 2.120173       0.9792691 1.537796       0.9621629 1.920041       5.127898  
1 1 1 34 22 4  o 11.68250 2.683685  1.313776       0.7139930 0.7424372      0.8759820 2.444626       1.232398  -5.193511      5.367370  
1 1 1 34 22 5  o 9.444478 2.642292  0.3646492      0.7546002 1.574080       1.271852  -0.2923677     0.9374204 4.854328       5.284584  
1 1 1 34 22 6  o 8.537075 2.439165  0.3856868      0.6841670 -0.2756328     0.9877748 0.9955069      0.9485344 -2.683489      4.878329  
1 1 1 34 22 7  o 12.98808 2.821775  2.045692       0.8099564 2.303535       1.133521  1.776701       1.157766  1.582220       5.643551  
1 1 1 34 22 8  o 14.78347 2.942067  2.970505       0.8491497 3.175069       0.9228302 1.840741       2.168704  4.474328       5.884133  
1 1 1 34 22 9  o 17.99218 2.953429  4.320412       0.9304958 4.500331       1.054383  3.686914       1.978488  4.536319       5.906858  
1 1 1 34 22 10 o 8.895384 2.929939  -0.5082361     1.312074  0.5095524      1.799698  -1.662967      1.916952  1.825863       5.859879  
1 1 1 34 23 0  o 23.57952 2.932005  5.664031       1.067631  7.816746       2.319817  5.085551       1.202553  0.000000       0.000000  
1 1 1 34 23 1  o 17.98357 2.355351  4.016263       0.7885236 5.576751       1.042634  1.931096       1.205236  10.23335       4.710701  
1 1 1 34 23 2  o 16.09843 2.477478  2.963345       0.7741560 3.115736       1.135735  2.831092       1.058034  0.7367229      4.954956  
1 1 1 34 23 3  o 21.50030 1.994774  4.855607       0.8471169 4.062309       1.105832  5.982314       1.317882  -4.177496      3.989547  
1 1 1 34 23 4  o 7.426435 2.304924  -0.6871356E-01 0.6566744 -0.2190374     0.8848563 0.1155735      0.9797297 -0.9771070     4.609848  
1 1 1 34 23 5  o 9.377631 2.736230  0.5589600      0.8584309 -0.9263669     1.686693  1.078185       0.9972476 -1.644056      5.472459  
1 1 1 34 23 6  o 9.054642 2.481749  0.6764572      0.6635980 1.102290       0.9352259 0.2446651      0.9417466 2.155690       4.963499  
1 1 1 34 23 7  o 11.09913 2.543929  1.433007       0.6677375 0.9560887      0.9492831 1.900088       0.9394408 -2.939246      5.087858  
1 1 1 34 23 8  o 6.105417 2.118889  -1.623920      0.7796173 -1.665266      0.9388207 -1.532064      1.399333  -1.732757      4.237778  
1 1 1 34 23 9  o 14.47185 3.428214  2.514668       0.9782610 2.514668       0.9782610 ?              ?         ?              ?         
1 1 1 34 23 10 o 9.504133 3.077436  0.2173147      1.330114  -0.3103072     1.892268  0.7326238      1.870058  -1.092473      6.154872  
1 1 1 34 24 0  o 5.965878 2.958596  -0.6973515     1.011970  -0.9385229     2.112507  -0.6255258     1.152856  0.000000       0.000000  
1 1 1 34 24 1  o 13.92066 2.512042  2.237241       0.7262799 1.475493       1.007976  3.059721       1.047387  -5.016500      5.024084  
1 1 1 34 24 2  o 16.60810 2.437658  3.181601       0.7797821 3.439822       1.008397  2.797520       1.229835  2.554040       4.875315  
1 1 1 34 24 3  f 8.703134 2.586867  0.2534532      0.7369135 -0.4494294E-01 0.9155983 0.8022282      1.241668  -2.645864      5.173735  
1 1 1 34 24 4  o 13.28913 2.204544  2.053587       0.6887009 3.488652       0.9394332 0.3862152      1.012619  9.530181       4.409089  
1 1 1 34 24 5  o 9.730883 2.570473  0.7549041      0.7121563 0.7817790E-01  0.9463580 1.638501       1.081375  -4.148192      5.140946  
1 1 1 34 24 6  f 11.67245 2.606308  1.613784       0.6969890 2.008402       0.9770747 1.204932       0.9945400 2.514655       5.212616  
1 1 1 34 24 7  o 8.565618 2.398182  0.4572444      0.6608601 -0.2663489     0.9371427 1.173030       0.9320726 -3.278608      4.796364  
1 1 1 34 24 8  o 10.71751 2.973064  1.285488       0.8985285 1.539197       1.010756  0.3295524      1.961970  1.086888       5.946128  
1 1 1 34 24 9  o 15.89515 3.154036  2.102789       0.8663751 1.204488       0.9416012 7.060405       2.212037  -11.73649      6.308072  
1 1 1 34 25 0  o 5.590070 2.846412  -1.562358      1.110218  -1.438240      2.218678  -1.603818      1.282309  0.000000       0.000000  
1 1 1 34 25 1  o 14.63396 2.789638  2.424330       0.8066620 3.082852       1.369588  2.074552       0.9981630 2.604918       5.579276  
1 1 1 34 25 2  o 14.14373 2.511528  2.346961       0.7152586 1.974557       1.025862  2.699254       0.9977795 -2.398978      5.023057  
1 1 1 34 25 3  o 24.31618 1.471810  6.184810       0.7154109 6.410081       1.031385  5.975917       0.9931831 0.8495502      2.943621  
1 1 1 34 25 4  o 13.50302 2.885364  2.180458       0.8603778 1.620364       1.167195  2.846931       1.273224  -3.457852      5.770727  
1 1 1 34 25 5  o 7.459456 2.391086  -0.4555968     0.7837092 -1.056019      1.069442  0.2408630      1.151799  -2.139169      4.782172  
1 1 1 34 25 6  f 8.985062 2.599334  0.4565102      0.7423845 1.215476       1.197251  -0.1759613E-01 0.9462634 3.182928       5.198668  
1 1 1 34 25 7  f 7.022667 2.314422  -0.5593796     0.7651182 -0.4878469     0.9555804 -0.6871550     1.277141  -0.8088045     4.628845  
1 1 1 34 25 8  o 9.413606 2.878771  0.5756334      0.8469148 0.5835252      0.9442649 0.5431707      1.915119  -1.725288      5.757543  
1 1 1 34 25 9  o 13.23696 3.363098  2.627375       1.097028  2.657041       1.273221  2.541883       2.161380  1.157552       6.726197  
1 1 1 34 26 0  o 7.370320 3.421107  0.3081438      1.015437  0.5837827      2.187907  0.2324708      1.146382  0.000000       0.000000  
1 1 1 34 26 1  o 9.443074 2.465818  0.6296350      0.6976528 -0.3416182     0.9721668 1.660917       1.001759  -4.863182      4.931636  
1 1 1 34 26 2  o 18.04015 2.244939  3.533902       0.7727838 2.407821       1.007540  5.142954       1.204377  -7.475237      4.489878  
1 1 1 34 26 3  o 9.692303 2.534424  0.7545661      0.6998580 1.664799       1.045631  0.1587292E-01  0.9419639 4.351543       5.068849  
1 1 1 34 26 4  o 7.468721 2.313210  -0.2722818     0.7113742 -1.177076      1.006992  0.6290815      1.005081  -2.914770      4.626419  
1 1 1 34 26 5  o 10.84456 2.641532  1.337354       0.7108709 0.9073192      0.9823867 1.810034       1.029945  -2.643181      5.283064  
1 1 1 34 26 6  o 7.692834 2.341217  0.6222861E-01  0.6689212 0.6462206      0.9971042 -0.4156958     0.9020211 2.325737       4.682433  
1 1 1 34 26 7  f 9.364809 3.000779  -0.2698741     0.8971079 -0.6766868     0.9837962 1.738092       2.185678  -5.793599      6.001559  
1 1 1 34 26 8  o 9.269714 2.612832  0.7548956      0.8781735 1.597521       0.9787712 -2.723730      1.988693  3.719533       5.225664  
1 1 1 34 27 0  o 13.26170 4.117612  2.681024       1.013630  3.272649       2.248130  2.530064       1.135611  0.000000       0.000000  
1 1 1 34 27 1  o 19.69958 2.212983  4.073213       0.8259097 3.186879       1.023780  5.725111       1.397654  -6.006931      4.425965  
1 1 1 34 27 2  o 8.636475 2.592623  0.3692393      0.7768195 0.2969324      1.046606  0.4579370      1.159176  -0.6064091     5.185247  
1 1 1 34 27 3  o 15.51768 2.596561  2.877169       0.7846985 3.164276       1.226260  2.678077       1.021147  1.040062       5.193121  
1 1 1 34 27 4  o 14.27181 2.658002  2.514122       0.7756054 2.162787       1.126058  2.831254       1.069844  -2.196492      5.316004  
1 1 1 34 27 5  o 8.894995 2.606763  0.5872114      0.7613930 0.8045092      0.9780158 0.2528875      1.213115  0.6078024      5.213526  
1 1 1 34 27 6  o 8.572125 2.663243  0.1972441E-01  0.8504011 0.8413424      1.431053  -0.4288040     1.057343  2.989011       5.326486  
1 1 1 34 27 7  o 9.055090 2.891304  0.1630473      0.7947512 -0.6005746E-01 0.8605523 1.456825       2.072300  -4.400450      5.782607  
1 1 1 34 27 8  o 10.57982 3.172795  1.060935       1.000889  0.7448851      1.137037  2.148672       2.109399  -3.025445      6.345590  
1 1 1 34 28 0  o 15.82596 3.918685  3.032277       1.410195  7.510390       2.432039  0.7640605      1.730874  0.000000       0.000000  
1 1 1 34 28 1  o 17.36949 2.423684  3.555208       0.8084465 3.545171       1.201326  3.563516       1.092972  -0.3268490     4.847368  
1 1 1 34 28 2  o 20.21844 2.256325  4.635845       0.9108714 4.508499       1.311200  4.754621       1.266306  -0.7020950     4.512651  
1 1 1 34 28 3  o 14.75312 2.598953  2.650124       0.7647818 2.468477       1.058870  2.848225       1.105785  -1.105032      5.197906  
1 1 1 34 28 4  o 17.67363 2.193777  3.580007       0.7590010 3.824907       1.091339  3.350581       1.056297  1.537376       4.387555  
1 1 1 34 28 5  o 7.402486 2.390577  -0.3359788     0.7818300 -0.2173669     1.185082  -0.4273882     1.040351  0.7626967      4.781155  
1 1 1 34 28 6  o 11.02939 2.533895  1.422782       0.7327358 2.442092       1.021848  0.3439330      1.051268  5.695743       5.067791  
1 1 1 34 28 7  o 10.08223 3.156808  0.2380787      0.9466349 -0.2969262     1.037237  2.905381       2.315982  -6.115230      6.313616  
1 1 1 34 29 0  o 7.260608 3.415023  -0.5383695     0.9819347 1.945245       2.150408  -1.192646      1.103721  0.000000       0.000000  
1 1 1 34 29 1  o 6.608794 2.193302  -0.8242859     0.7510363 -1.337001      1.085592  -0.3536249     1.040118  -1.029295      4.386604  
1 1 1 34 29 2  o 7.409152 2.438454  -0.5511693     0.8171962 -0.6501648     0.9931386 -0.3436114     1.438043  -1.764193      4.876907  
1 1 1 34 29 3  o 10.02356 2.746781  1.050269       0.7911116 0.8427632      1.146633  1.238783       1.092902  -0.8775625     5.493563  
1 1 1 34 29 4  o 9.381548 2.558866  0.6898448      0.7236061 -0.1985657E-01 0.9729378 1.568336       1.082470  -3.905116      5.117732  
1 1 1 34 29 5  o 15.26539 2.519005  2.919990       0.7556590 2.742605       1.051526  3.109429       1.086666  -1.053507      5.038011  
1 1 1 34 29 6  o 9.156963 2.779225  0.6797997      0.8826423 0.8316585      1.052432  0.3197177      1.620595  -0.8085442E-01 5.558449  
1 1 1 34 30 0  o 12.61431 4.362919  2.535689       1.105978  3.715869       2.494942  2.247062       1.233829  0.000000       0.000000  
1 1 1 34 30 1  o 11.21479 2.848779  1.527247       0.8701987 0.5266602      1.500778  2.034032       1.068074  -3.102564      5.697557  
1 1 1 34 30 2  o 9.936608 2.754517  1.008868       0.7847090 0.9284089      1.012611  1.129821       1.241551  -0.7808552     5.509033  
1 1 1 34 30 3  o 9.423049 2.623136  0.8761356      0.7429487 1.266316       1.039407  0.4685443      1.062344  1.837107       5.246272  
1 1 1 34 30 4  o 11.58982 2.859456  1.800336       0.8159320 1.659814       1.247105  1.905506       1.078891  -0.7665300     5.718912  
1 1 1 34 30 5  o 11.21089 2.737298  1.313426       0.7934794 0.3948783      1.003357  2.846977       1.296444  -6.218759      5.474596  
1 1 1 34 31 0  o 13.94153 4.173768  2.855744       1.065088  4.767782       2.104681  2.197515       1.234885  0.000000       0.000000  
1 1 1 34 31 1  o 9.511136 2.672381  0.8146470      0.8246325 -0.9426646E-01 1.189776  1.654944       1.143985  -3.481086      5.344762  
1 1 1 34 31 2  o 8.436441 2.723984  -0.2351923E-01 1.021636  -0.1487074     1.531011  0.7697155E-01  1.371702  0.5160236E-01  5.447968  
1 1 1 34 31 3  o 10.28747 2.536570  1.097421       0.7881799 2.335148       1.058607  -0.4421814     1.180665  6.071601       5.073140  
1 1 1 34 32 0  o 20.84443 4.007083  5.966276       1.224649  6.434924       2.672171  5.841671       1.377870  0.000000       0.000000  
1 1 1 34 32 1  o 20.89148 2.021173  5.018646       0.8364875 5.822268       1.199339  4.257440       1.167257  3.661858       4.042347  
1 1 1 35 0  1  o 10.14034 4.584884  0.8176766      1.554035  1.182770       3.823016  0.7454078      1.700902  0.000000       0.000000  
1 1 1 35 0  2  o 18.12254 3.935051  4.231878       1.236795  4.145839       1.644444  4.343932       1.876653  0.000000       0.000000  
1 1 1 35 0  3  o 6.436773 3.249790  -1.546537      1.376378  -0.9086353     1.514516  -4.572640      3.298670  0.000000       0.000000  
1 1 1 35 0  4  o 26.80119 2.960204  7.564140       1.553044  7.564140       1.553044  7.564140       1.553044  0.000000       0.000000  
1 1 1 35 0  5  o 10.02845 3.940475  1.432773       1.202011  0.7167822      1.699967  2.148654       1.699835  0.000000       0.000000  
1 1 1 35 0  6  o 8.117853 3.435294  0.9898852E-01  0.6362143 -0.1732661     0.6740305 2.323078       1.926496  0.000000       0.000000  
1 1 1 35 0  7  o 8.729314 3.528817  0.6339687      0.5636675 0.4971975      0.5882522 2.168424       1.970350  0.000000       0.000000  
1 1 1 35 0  8  o 11.58424 3.362610  1.492128       0.4318069 1.460520       0.4412328 2.208295       2.100297  0.000000       0.000000  
1 1 1 35 0  9  o 14.02678 4.894412  3.624546       1.826537  1.780328       3.353147  4.402650       2.178038  0.000000       0.000000  
1 1 1 35 0  10 f 12.87059 4.967854  2.382968       1.689789  5.172679       3.179010  1.284359       1.994958  0.000000       0.000000  
1 1 1 35 0  11 f 9.685505 4.185292  1.440000       1.559128  0.4531159      2.535970  2.039710       1.976886  0.000000       0.000000  
1 1 1 35 0  12 o 11.91687 6.948678  2.930892       2.693322  2.930892       2.693322  2.930892       2.693322  0.000000       0.000000  
1 1 1 35 0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 1  0  o 8.236677 3.530632  0.5447312      1.196497  -2.150819      2.371795  1.464888       1.385748  0.000000       0.000000  
1 1 1 35 1  1  o 13.05294 3.269084  1.648060       1.087275  2.169740       1.535714  1.123754       1.539573  2.398083       6.538169  
1 1 1 35 1  2  o 10.99728 2.896037  1.057593       0.8551201 1.251647       1.123882  0.7908061      1.317774  0.7015123      5.792074  
1 1 1 35 1  3  o 16.56933 2.899028  2.967177       1.000014  1.695488       1.358409  4.471739       1.477560  -7.430009      5.798056  
1 1 1 35 1  4  o 26.60363 1.914948  7.301177       1.015749  6.679109       1.439753  7.917630       1.433242  -2.331261      3.829896  
1 1 1 35 1  5  o 24.06782 2.481833  6.223159       1.051270  6.312500       1.256716  6.014925       1.918605  1.442842       4.963666  
1 1 1 35 1  6  o 11.85223 2.320581  1.397587       0.5277950 1.932765       0.9906992 1.185494       0.6236702 2.733237       4.641162  
1 1 1 35 1  7  o 17.66652 1.188309  3.175901       0.4170168 3.636775       0.5948064 2.730369       0.5848219 2.560904       2.376618  
1 1 1 35 1  8  o 14.62893 2.777905  1.531517       0.5574106 1.279908       0.5858471 3.936184       1.811127  -7.475393      5.555810  
1 1 1 35 1  9  o 19.13302 3.148452  4.463706       1.233445  5.676652       1.687692  3.072994       1.807138  6.837688       6.296903  
1 1 1 35 1  10 o 11.65282 3.212672  1.069168       1.163655  -0.1459663     1.606091  2.411877       1.688297  -4.694635      6.425345  
1 1 1 35 1  11 o 11.85155 3.135390  1.247970       1.117119  2.804857       1.608253  -0.2035725     1.552890  5.746614       6.270780  
1 1 1 35 1  12 o 10.09872 3.274517  -0.3712738E-01 1.396483  -0.1503368     1.674353  0.2216072      2.531239  -1.860348      6.549035  
1 1 1 35 1  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 2  0  o 28.97608 4.386151  9.818425       1.401234  9.950962       3.988676  9.799767       1.496626  0.000000       0.000000  
1 1 1 35 2  1  o 14.22083 2.606688  2.388551       0.8009019 0.9405347      1.428554  3.052315       0.9672017 -5.975182      5.213377  
1 1 1 35 2  2  o 10.71278 2.894490  0.9246446      0.8632408 1.004743       1.174353  0.8304873      1.273249  0.1868172      5.788980  
1 1 1 35 2  3  o 25.14314 1.908291  6.041195       0.9235365 4.462791       1.147889  8.938052       1.555085  -8.676416      3.816582  
1 1 1 35 2  4  o 20.44047 2.263706  4.190604       0.8842022 5.640450       1.441558  3.316169       1.119528  5.732584       4.527412  
1 1 1 35 2  5  o 12.04738 2.573004  1.430356       0.6130357 1.891595       1.191099  1.264148       0.7150089 2.343405       5.146009  
1 1 1 35 2  6  o 13.34983 2.263578  2.000330       0.5812652 1.597551       1.039040  2.183800       0.7012650 -2.407449      4.527155  
1 1 1 35 2  7  o 9.155383 2.173691  0.2928430      0.4705561 1.819991       0.9628604 -0.1863360     0.5393513 7.382919       4.347381  
1 1 1 35 2  8  f 9.607180 2.651715  0.7143609      0.4709952 0.7474836      0.4883715 0.2735865      1.781539  -2.264983      5.303430  
1 1 1 35 2  9  o 17.94576 3.498204  4.011703       1.296174  3.777919       1.794075  4.266975       1.874717  -1.080360      6.996409  
1 1 1 35 2  10 o 11.08064 3.234794  0.7503389      1.228606  1.815493       1.715877  -0.3702797     1.759985  3.335905       6.469588  
1 1 1 35 2  11 o 11.47128 3.286468  1.276297       1.176972  1.013682       1.719614  1.507744       1.614348  -0.7469749     6.572937  
1 1 1 35 2  12 o 13.23648 3.789478  2.270169       1.503332  2.403873       1.767740  1.920796       2.857532  0.3682489      7.578955  
1 1 1 35 2  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 3  0  f 18.26688 5.019233  3.995216       1.282699  5.963792       3.854370  3.750044       1.360231  0.000000       0.000000  
1 1 1 35 3  1  o 10.87114 2.761477  1.074728       0.7618508 1.330341       1.157446  0.8793246      1.011985  1.508630       5.522953  
1 1 1 35 3  2  o 10.85514 2.860354  1.022910       0.8343317 1.121632       1.139521  0.9088307      1.224952  0.3517036      5.720707  
1 1 1 35 3  3  o 32.10441 1.554503  10.23044       0.9713303 9.377621       1.219482  11.71045       1.606501  -3.459694      3.109005  
1 1 1 35 3  4  o 21.56571 2.054618  4.858315       0.8705688 4.490939       1.330599  5.133279       1.151146  -1.592644      4.109236  
1 1 1 35 3  5  o 19.64819 1.863466  3.850070       0.6803106 4.331810       1.241517  3.643346       0.8132824 1.505165       3.726932  
1 1 1 35 3  6  f 13.17875 2.293782  2.038469       0.6032379 1.220451       1.092579  2.397183       0.7235125 -4.154911      4.587565  
1 1 1 35 3  7  o 7.022650 2.135831  -0.1411179     0.4627832 0.5121913      0.9750919 -0.3310599     0.5257711 3.911064       4.271662  
1 1 1 35 3  8  o 13.04078 3.112972  1.552636       0.7711860 1.392315       0.8426818 2.378976       1.913148  -3.383334      6.225944  
1 1 1 35 3  9  o 10.37808 3.123877  -0.9670006E-01 1.232413  -1.652102      1.683739  1.698260       1.808760  -4.791148      6.247753  
1 1 1 35 3  10 o 17.70454 3.306065  3.917735       1.187650  3.956256       1.655216  3.876858       1.705076  0.2859592      6.612130  
1 1 1 35 3  11 o 12.15180 3.280993  1.260770       1.217302  -0.2077098     1.646814  3.029656       1.807425  -5.898438      6.561985  
1 1 1 35 3  12 o 13.60068 4.114579  2.308594       2.078012  3.554779       2.775293  0.7184618      3.134975  2.949832       8.229158  
1 1 1 35 3  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 4  0  o 18.61069 4.977812  4.637925       1.333748  5.048238       4.279345  4.593780       1.403664  0.000000       0.000000  
1 1 1 35 4  1  o 11.63977 2.749853  1.387156       0.7573770 1.141772       1.135658  1.583717       1.016420  -1.119801      5.499706  
1 1 1 35 4  2  o 13.49081 2.839243  1.924965       0.8507774 1.258824       1.174550  2.660261       1.234013  -4.078266      5.678485  
1 1 1 35 4  3  o 28.58436 1.362728  8.853118       0.7173538 6.600771       1.182075  10.16619       0.9025490 -6.340179      2.725455  
1 1 1 35 4  4  o 13.54152 2.728396  2.031201       0.8074025 1.274969       1.224261  2.613298       1.074098  -3.907855      5.456791  
1 1 1 35 4  5  o 8.375412 2.215355  0.2712202      0.6262651 -1.517109      1.078700  1.180488       0.7691712 -4.418700      4.430711  
1 1 1 35 4  6  o 13.67479 2.190234  2.209202       0.5714486 1.369781       1.019119  2.594168       0.6901552 -4.471855      4.380467  
1 1 1 35 4  7  o 6.524851 2.059437  -0.3345379     0.4693570 0.2324344      0.9557152 -0.5147464     0.5388094 3.476956       4.118873  
1 1 1 35 4  8  o 13.22572 2.854078  1.659669       0.7483857 1.287338       0.8680876 2.737402       1.476911  -4.462774      5.708156  
1 1 1 35 4  9  o 12.53739 3.393952  1.531082       1.223334  2.389983       1.778934  0.7604941      1.684997  3.219376       6.787903  
1 1 1 35 4  10 o 10.22260 3.118960  0.3382276      1.177935  -0.2626930     1.641641  0.9759529      1.691167  -1.930515      6.237919  
1 1 1 35 4  11 o 9.624678 3.051935  -0.3274043E-01 1.220875  -0.2983823     1.708084  0.2447261      1.745686  -0.7673903     6.103870  
1 1 1 35 4  12 o 13.52253 4.018176  2.109025       1.879194  3.986628       2.832428  0.6327165      2.511572  4.264843       8.036351  
1 1 1 35 4  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 5  0  o 10.02007 3.909420  1.511686       1.197834  0.7142615E-01  2.335423  2.025816       1.395345  0.000000       0.000000  
1 1 1 35 5  1  o 15.73568 2.543678  2.664905       0.7797868 3.052310       1.186187  2.370065       1.034816  1.986431       5.087356  
1 1 1 35 5  2  o 19.00034 2.159246  4.325684       0.6760383 2.739553       1.231040  5.010571       0.8089321 -6.468885      4.318492  
1 1 1 35 5  3  o 18.59200 1.971926  3.869430       0.6528778 2.847139       1.075493  4.465993       0.8215777 -4.757908      3.943852  
1 1 1 35 5  4  o 18.94752 2.277420  3.631446       0.8252922 5.042277       1.317105  2.719454       1.058957  6.228942       4.554840  
1 1 1 35 5  5  o 21.07142 1.714523  4.671351       0.7044561 3.872793       1.056407  5.310800       0.9453252 -3.476042      3.429047  
1 1 1 35 5  6  o 10.07680 2.326169  1.116580       0.5995523 -0.7222722     1.347220  1.570707       0.6695048 -3.962401      4.652337  
1 1 1 35 5  7  o 8.629574 2.258034  0.4873531      0.4287385 1.093692       0.9806654 0.3440738      0.4767106 3.800761       4.516069  
1 1 1 35 5  8  o 15.77552 3.837603  2.261995       0.8596975 2.195770       0.8840463 3.414793       3.688425  -3.267958      7.675205  
1 1 1 35 5  9  o 20.01767 2.932496  4.704528       1.121417  4.680315       1.465337  4.738756       1.742203  0.3920059      5.864991  
1 1 1 35 5  10 o 12.34870 3.201648  1.564336       1.107161  2.610144       1.553069  0.4836267      1.578772  4.363844       6.403296  
1 1 1 35 5  11 o 11.66086 3.294291  1.239461       1.241809  2.250334       1.677427  0.1362741E-01  1.847189  3.499087       6.588583  
1 1 1 35 5  12 o 11.31324 3.646560  0.3727445      1.863373  1.280530       2.551285  -0.6651494     2.727997  1.569655       7.293119  
1 1 1 35 5  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 6  0  o 11.60937 4.256996  2.071167       1.182870  2.008116       2.381628  2.091813       1.362844  0.000000       0.000000  
1 1 1 35 6  1  o 13.06713 2.632419  1.836963       0.6921271 1.843824       1.216994  1.833683       0.8414590 0.1041393      5.264839  
1 1 1 35 6  2  o 13.47251 2.160681  2.046902       0.5931429 1.126053       0.9101797 2.726645       0.7819978 -5.701136      4.321361  
1 1 1 35 6  3  o 7.282223 2.264690  -0.1287699     0.6101877 -0.3670008     1.071350  -0.1438616E-01 0.7423601 0.7231841      4.529380  
1 1 1 35 6  4  o 10.42673 2.842904  0.8491167      0.8295946 0.6461348      1.340960  0.9749764      1.055919  -0.6877422E-01 5.685808  
1 1 1 35 6  5  o 13.20543 2.469555  1.865498       0.6530271 2.248699       1.037384  1.613985       0.8404411 2.095706       4.939110  
1 1 1 35 6  6  o 13.96013 2.208357  2.122191       0.5783373 1.949101       1.023593  2.203358       0.7009416 -1.343394      4.416714  
1 1 1 35 6  7  o 20.08002 1.385458  3.505840       0.4764764 5.405825       1.052773  3.016389       0.5343354 5.658794       2.770915  
1 1 1 35 6  8  o 15.81454 3.684036  2.162429       0.9221392 1.906796       0.9722440 4.452570       2.910036  -5.524291      7.368073  
1 1 1 35 6  9  o 9.408676 2.840557  0.2602727      0.7298427 0.9317238E-01  0.8009374 1.078146       1.771956  -4.319121      5.681114  
1 1 1 35 6  10 f 11.28440 3.263319  1.070979       1.163941  1.054739       1.553663  1.091753       1.757183  -0.3925476     6.526639  
1 1 1 35 6  11 o 9.566085 3.039754  -0.3736519E-01 1.216981  0.1176546      1.646648  -0.2239633     1.806594  0.7259941E-01  6.079508  
1 1 1 35 6  12 o 10.73227 3.498889  0.4557871E-01  1.753574  -0.1384626     2.497246  0.2246018      2.462965  -0.2839861     6.997777  
1 1 1 35 6  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 7  0  f 10.16571 3.678633  1.339468       0.6786754 1.631862       2.213734  1.309135       0.7130092 0.000000       0.000000  
1 1 1 35 7  1  o 17.21248 2.125041  2.981344       0.6872709 3.618648       1.180296  2.654413       0.8453689 2.289810       4.250081  
1 1 1 35 7  2  o 16.32577 2.431145  2.908862       0.6869622 2.687874       1.369164  2.983211       0.7941583 -1.521644      4.862289  
1 1 1 35 7  3  o 8.548769 2.371192  0.3696815      0.6421238 -0.4735109     1.016120  0.9302751      0.8285255 -2.598953      4.742384  
1 1 1 35 7  4  o 10.71526 2.451534  0.6951010      0.7702075 -0.9735053     1.093570  2.337528       1.084957  -7.735361      4.903069  
1 1 1 35 7  5  o 14.60414 2.379066  2.311856       0.6773433 2.641735       1.031774  2.062012       0.8979284 1.798484       4.758132  
1 1 1 35 7  6  o 7.947905 2.288054  0.3301511      0.5569273 0.1468650      0.9484984 0.4265908      0.6880184 0.2521167      4.576109  
1 1 1 35 7  7  o 8.356682 2.300360  0.4791512      0.5017571 0.6481815      0.9730826 0.4179322      0.5856125 1.886579       4.600719  
1 1 1 35 7  8  o 7.839309 2.624610  -0.7252375     0.8652363 -0.3850914     0.9440206 -2.511703      2.163446  -1.730854      5.249219  
1 1 1 35 7  9  o 7.659431 2.412185  -0.1768274     0.7465515 0.3621760      0.8499763 -1.996151      1.561586  0.7604566      4.824371  
1 1 1 35 7  10 f 9.052389 2.871330  -0.2822659     1.087981  -0.8723683     1.491223  0.3893479      1.590885  -1.912333      5.742660  
1 1 1 35 7  11 o 10.92671 3.189209  0.9111030      1.176715  1.807211       1.667424  0.2205006E-01  1.660848  2.916142       6.378417  
1 1 1 35 7  12 o 8.809414 3.037575  -2.556360      1.754044  -1.700395      2.405647  -3.527973      2.563011  0.7556581      6.075149  
1 1 1 35 7  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 8  0  o 8.787657 3.480949  0.8831680      1.123762  -1.901566      2.173879  1.898694       1.312771  0.000000       0.000000  
1 1 1 35 8  1  f 18.12311 2.025974  3.699578       0.6651856 4.626439       0.8736989 2.421492       1.025970  6.412372       4.051947  
1 1 1 35 8  2  o 11.15804 2.324920  1.324245       0.5543714 1.257902       0.7814634 1.391456       0.7865605 -0.4924383     4.649839  
1 1 1 35 8  3  o 9.181351 2.426065  0.2411058      0.6607158 1.512229       1.060996  -0.5640731     0.8444347 5.664933       4.852129  
1 1 1 35 8  4  o 8.288603 2.525832  -0.3845807     0.8785437 -3.757574      1.764063  0.7279491      1.013123  -2.740849      5.051665  
1 1 1 35 8  5  o 12.39393 2.469827  1.619845       0.6505118 2.256144       0.9869010 1.130999       0.8650249 3.808163       4.939654  
1 1 1 35 8  6  o 10.56034 2.438062  1.117272       0.5845103 1.441831       0.9283196 0.9040807      0.7523775 2.030727       4.876125  
1 1 1 35 8  7  o 18.37479 2.315143  4.157577       0.6130503 2.829012       1.409364  4.467618       0.6808355 -5.226908      4.630285  
1 1 1 35 8  8  o 12.10760 2.980195  1.607054       0.8825363 1.613458       1.176196  1.598805       1.335028  -0.9162903E-01 5.960390  
1 1 1 35 8  9  o 13.81470 2.742571  1.850994       0.7574189 1.171146       0.8946862 3.570800       1.422999  -6.838246      5.485141  
1 1 1 35 8  10 o 11.77310 3.054256  1.173604       1.099749  2.799221       1.525972  -0.5831861     1.586344  6.227662       6.108511  
1 1 1 35 8  11 o 10.19465 3.138694  0.2277710      1.249699  -0.9091066     1.713273  1.520415       1.826876  -3.412197      6.277388  
1 1 1 35 8  12 o 9.293571 3.179034  -2.233004      1.844626  -0.5925636     2.587890  -3.927278      2.630010  1.913705       6.358068  
1 1 1 35 8  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 9  0  o 24.97571 3.062351  6.397134       1.238673  8.180641       2.496062  5.814416       1.426748  0.000000       0.000000  
1 1 1 35 9  1  o 36.61998 1.050827  13.38604       0.7620673 12.57594       0.9983069 14.51731       1.179719  -2.596703      2.101653  
1 1 1 35 9  2  o 18.73801 1.566291  3.584000       0.5857478 3.639849       0.8066062 3.521689       0.8520017 0.3355427      3.132583  
1 1 1 35 9  3  o 9.065989 2.339031  0.6929647      0.5638704 1.000419       0.7962093 0.3836127      0.7986627 1.875278       4.678062  
1 1 1 35 9  4  o 17.89060 2.853168  3.692061       0.7514125 3.187587       1.982176  3.776723       0.8120201 -2.643894      5.706336  
1 1 1 35 9  5  o 12.76227 2.433219  1.808882       0.6433678 1.427940       0.9568695 2.123189       0.8691603 -2.388724      4.866438  
1 1 1 35 9  6  o 16.83710 1.917700  3.003043       0.6134530 2.933492       0.9746920 3.048666       0.7894167 -0.7419872     3.835400  
1 1 1 35 9  7  o 9.191685 2.356801  0.6742769      0.5288361 1.136480       0.9506299 0.4671338      0.6363997 2.864413       4.713602  
1 1 1 35 9  8  o 11.49608 2.948382  1.398889       0.8844233 1.680156       1.147957  0.9881186      1.387284  1.392449       5.896764  
1 1 1 35 9  9  o 10.40970 2.669562  1.053758       0.6933038 0.8158375      0.8603868 1.494294       1.170763  -2.302988      5.339125  
1 1 1 35 9  10 o 12.36670 3.294639  1.764692       1.109313  1.855811       1.600322  1.680413       1.539080  0.4144945      6.589277  
1 1 1 35 9  11 o 13.44524 3.383881  2.372234       1.146511  2.148529       1.567247  2.629777       1.681610  -1.036134      6.767762  
1 1 1 35 9  12 o 10.02264 3.319558  -1.057234      1.783617  -3.721034      2.695351  1.017960       2.378997  -2.928131      6.639117  
1 1 1 35 9  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 10 0  o 7.351087 3.394421  0.8173291E-01  1.115459  0.2336602      1.919929  0.4318965E-02  1.370493  0.000000       0.000000  
1 1 1 35 10 1  o 9.407878 2.362580  0.8022212      0.5619320 1.020418       0.8164287 0.6058080      0.7746037 1.425810       4.725159  
1 1 1 35 10 2  o 6.444427 2.025313  -0.4593194     0.5519201 0.1942590      0.7952399 -1.066690      0.7666129 2.381883       4.050625  
1 1 1 35 10 3  o 8.041911 2.238842  0.2079365      0.5930880 -0.6327763     0.8767076 0.9173392      0.8053364 -3.346815      4.477684  
1 1 1 35 10 4  o 7.964197 2.304283  0.1455618      0.6516326 -1.682990      1.278165  0.7877433      0.7574642 -2.398271      4.608566  
1 1 1 35 10 5  o 10.30146 2.279420  1.119434       0.5210899 1.111317       0.7321849 1.127765       0.7417734 -0.7066250E-01 4.558840  
1 1 1 35 10 6  o 7.377501 2.008219  -0.2132406     0.5256392 1.051280       0.7634697 -1.352818      0.7247712 5.365331       4.016437  
1 1 1 35 10 7  o 11.57621 2.299186  1.201373       0.5264369 2.285192       1.000033  0.7858909      0.6191736 5.486452       4.598372  
1 1 1 35 10 8  o 13.03038 2.934749  1.976412       0.8596769 1.983810       1.191966  1.968393       1.241053  0.4146957E-01  5.869498  
1 1 1 35 10 9  o 11.55386 2.775163  1.575315       0.7905687 1.949932       0.9082298 0.4039482      1.606009  2.919312       5.550326  
1 1 1 35 10 10 o 13.15973 2.906988  1.590726       0.9214657 3.850595       1.562150  0.3848225      1.141136  8.657007       5.813976  
1 1 1 35 10 11 o 8.809961 2.871995  -0.4715775     1.187068  0.5555807E-01  1.543359  -1.235129      1.857483  0.6536427      5.743990  
1 1 1 35 10 12 o 12.09944 3.835728  1.020707       1.979247  -0.4593339     2.788981  2.522377       2.809286  -2.847921      7.671457  
1 1 1 35 10 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 11 0  o 6.163076 3.009977  -0.6563436     0.7151538 0.6549090      1.892686  -0.8747328     0.7724157 0.000000       0.000000  
1 1 1 35 11 1  o 12.64957 2.319849  1.733390       0.5943401 1.525048       0.8304785 1.952127       0.8509426 -1.532101      4.639698  
1 1 1 35 11 2  o 10.54192 2.501554  1.065722       0.6242895 0.7444020      0.8181497 1.513563       0.9658854 -2.675555      5.003109  
1 1 1 35 11 3  o 10.59395 2.553508  1.128743       0.6386105 1.190903       1.019338  1.088583       0.8193355 0.6188765      5.107015  
1 1 1 35 11 4  o 13.09932 2.206065  1.867723       0.5700150 1.828256       0.7873741 1.911186       0.8262781 -0.2744522     4.412129  
1 1 1 35 11 5  o 6.300941 1.980125  -0.3253713     0.5183183 -0.7397314     0.7274087 0.1020086      0.7387484 -1.665522      3.960250  
1 1 1 35 11 6  o 11.18444 2.199271  1.352564       0.5080335 1.428861       0.7532046 1.288881       0.6881326 0.5477381      4.398541  
1 1 1 35 11 7  o 7.463669 2.189484  0.2279436      0.5362614 0.2450452      0.7547460 0.2105079      0.7620837 0.5924606E-01  4.378967  
1 1 1 35 11 8  o 8.300266 2.585376  -0.4746328E-01 0.7747239 -0.1741320     0.9313556 0.2370382      1.395800  -2.163804      5.170751  
1 1 1 35 11 9  o 9.219351 2.634907  0.6080909      0.7229443 0.5587972      0.8929225 0.7018911      1.231740  -1.151210      5.269815  
1 1 1 35 11 10 o 13.99402 3.639716  2.140862       1.152560  3.633337       2.480670  1.729990       1.301574  3.770644       7.279432  
1 1 1 35 11 11 o 11.65835 3.480810  1.363374       1.380511  1.727132       1.664280  0.5610157      2.471752  0.7695541      6.961619  
1 1 1 35 11 12 o 10.22423 3.410394  -0.8319365     1.863713  -2.268205      2.740711  0.4034993      2.541882  -1.658508      6.820788  
1 1 1 35 12 0  o 20.38356 2.869860  3.899632       0.8580195 6.255829       2.011306  3.375442       0.9486735 0.000000       0.000000  
1 1 1 35 12 1  o 22.87819 1.377982  5.305684       0.6288018 4.946342       0.8522007 5.735121       0.9316167 -1.685211      2.755964  
1 1 1 35 12 2  o 15.35459 2.093584  2.532045       0.6260250 2.789215       0.8577871 2.238967       0.9157156 2.104233       4.187169  
1 1 1 35 12 3  o 8.596424 2.417946  0.1332670      0.6529472 1.132727       1.058757  -0.4801704     0.8294663 4.427544       4.835892  
1 1 1 35 12 4  o 16.17926 1.800888  2.705650       0.5811856 2.719023       0.7949793 2.690297       0.8518006 0.1258125      3.601775  
1 1 1 35 12 5  o 6.274741 1.999547  -0.3385118     0.5338768 -0.1680005     0.7382871 -0.5254032     0.7729358 0.4956651      3.999095  
1 1 1 35 12 6  o 11.18415 2.216731  1.358659       0.5152230 1.348041       0.7516410 1.368071       0.7076207 -0.7290840E-01 4.433462  
1 1 1 35 12 7  o 19.25119 1.509615  3.905158       0.5703991 3.190984       0.8279967 4.550203       0.7869036 -3.565289      3.019230  
1 1 1 35 12 8  o 7.677625 2.231459  0.3171470      0.5413181 0.3571400      0.8561250 0.2905086      0.6987156 0.7098594      4.462918  
1 1 1 35 12 9  o 16.35724 2.528676  2.906217       0.7334820 2.655863       0.8565655 3.594430       1.420186  -1.762021      5.057352  
1 1 1 35 12 10 o 7.823526 2.504945  -0.2676680     0.8151770 -0.3378606     1.029009  -0.1493863     1.335773  -1.238066      5.009889  
1 1 1 35 12 11 o 8.198391 3.584337  0.1574408      1.113800  0.1574408      1.113800  ?              ?         ?              ?         
1 1 1 35 12 12 o 8.064901 3.794541  -0.8136533     1.592377  -0.8136533     1.592377  ?              ?         ?              ?         
1 1 1 35 13 0  o 6.124708 2.904657  -0.8781108E-01 0.7840033 -0.1695325     1.691657  -0.6545681E-01 0.8847582 0.000000       0.000000  
1 1 1 35 13 1  o 9.634934 2.381954  0.8960834      0.5686116 0.7433384      0.7983395 1.053348       0.8100652 -1.027826      4.763908  
1 1 1 35 13 2  o 13.13025 2.133428  1.887646       0.5869748 2.756782       0.8183910 0.9668919      0.8423426 6.413575       4.266855  
1 1 1 35 13 3  o 20.29710 1.727879  3.983593       0.6792806 5.490473       1.142490  3.159633       0.8448236 5.556841       3.455757  
1 1 1 35 13 4  o 8.203492 2.520749  0.1998281E-01  0.7280033 -0.1626137     1.296816  0.1040069      0.8796988 0.9990578      5.041498  
1 1 1 35 13 5  o 18.79495 1.606087  3.651922       0.5986117 3.127845       0.8482488 4.171860       0.8448907 -2.779449      3.212173  
1 1 1 35 13 6  o 23.20053 1.253950  5.432004       0.5778463 6.407137       0.8650357 4.646246       0.7765095 3.744413       2.507899  
1 1 1 35 13 7  o 5.919931 1.926056  -0.5073832     0.5233179 -0.2491884     0.7969030 -0.7031502     0.6939073 1.248530       3.852113  
1 1 1 35 13 8  o 9.092799 2.251104  0.6021741      0.5018731 1.514899       0.8990521 0.1890061      0.6048926 4.841571       4.502208  
1 1 1 35 13 9  o 9.965361 2.757485  0.9229136      0.7981423 1.102188       1.026524  0.6488613      1.269191  0.5971546      5.514970  
1 1 1 35 13 10 o 8.883103 2.579081  0.3044656      0.8320540 1.260520       1.078933  -1.098493      1.306999  3.475390       5.158161  
1 1 1 35 13 11 o 10.88277 3.974929  1.395957       1.127195  1.395957       1.127195  ?              ?         ?              ?         
1 1 1 35 13 12 o 10.43711 4.312925  1.224973       1.462360  1.224973       1.462360  ?              ?         ?              ?         
1 1 1 35 14 0  o 6.892928 3.130371  -0.9896181     0.7787523 1.720985       1.722907  -1.685592      0.8730225 0.000000       0.000000  
1 1 1 35 14 1  o 17.26718 1.663856  3.061219       0.5737013 3.309932       0.8276419 2.831184       0.7959576 1.367241       3.327712  
1 1 1 35 14 2  o 10.82281 2.467736  1.073794       0.6292068 0.5243723      0.8123350 1.897762       0.9948033 -4.601355      4.935472  
1 1 1 35 14 3  o 20.87063 1.582602  4.375169       0.6455207 4.038685       0.8173272 4.933057       1.052414  -2.000278      3.165203  
1 1 1 35 14 4  o 42.89252 1.011518  18.69086       0.8523858 18.16117       1.325959  19.06392       1.112780  -1.137936      2.023035  
1 1 1 35 14 5  o 22.68564 1.591549  5.058402       0.7020823 3.723954       0.9007559 7.124008       1.120676  -7.359039      3.183098  
1 1 1 35 14 6  o 10.47345 2.253547  1.121773       0.5128548 1.634163       0.8254543 0.7996328      0.6545082 3.181194       4.507094  
1 1 1 35 14 7  o 12.48573 2.189030  1.734848       0.5400662 1.916005       0.8306031 1.602165       0.7108429 1.046245       4.378060  
1 1 1 35 14 8  o 8.965174 2.203747  0.7658983      0.4474025 1.018739       0.8428486 0.6667052      0.5279189 1.775788       4.407494  
1 1 1 35 14 9  o 10.84623 2.479466  1.370933       0.7332618 2.105916       0.8735105 -0.3827119     1.349276  5.300090       4.958933  
1 1 1 35 14 10 o 16.16132 2.446194  2.699319       0.8116295 1.230555       1.008535  5.398917       1.367302  -11.44429      4.892388  
1 1 1 35 14 11 o 14.88434 4.424789  2.940735       1.412650  2.940735       1.412650  ?              ?         ?              ?         
1 1 1 35 14 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 15 0  o 7.151563 3.149966  0.5140691      0.8168876 -0.7965665E-01 1.729864  0.6844673      0.9267258 0.000000       0.000000  
1 1 1 35 15 1  o 16.24249 2.412183  3.130027       0.7155292 3.588799       0.8626623 2.118492       1.280953  4.883548       4.824366  
1 1 1 35 15 2  o 27.04522 1.414570  7.477857       0.7630692 6.785595       1.068781  8.197633       1.089812  -2.598963      2.829140  
1 1 1 35 15 3  o 14.03311 2.241830  2.150454       0.6151968 1.951407       0.8505385 2.368841       0.8909038 -1.408482      4.483659  
1 1 1 35 15 4  o 6.882351 2.129162  -0.1500796     0.5652487 -0.4194387     0.8007334 0.1174695      0.7980384 -1.071100      4.258323  
1 1 1 35 15 5  o 24.24691 1.439334  5.781316       0.6822655 7.434777       1.115864  4.794145       0.8622045 5.272730       2.878668  
1 1 1 35 15 6  o 7.266977 2.261425  -0.8662017E-01 0.6295635 -0.9190457E-01 0.8316946 -0.7952905E-01 0.9634369 -0.5343375     4.522851  
1 1 1 35 15 7  o 18.63005 1.720755  3.659932       0.6157097 3.697515       1.023043  3.638588       0.7709715 -0.1335754     3.441510  
1 1 1 35 15 8  o 8.705628 2.541687  0.7807396E-01  0.7045566 -0.4776172     0.8526773 1.273976       1.250880  -4.704200      5.083374  
1 1 1 35 15 9  o 10.89656 3.098816  0.6320826      0.8765714 0.1437961      0.9847798 2.494858       1.923455  -5.994805      6.197632  
1 1 1 35 15 10 o 8.249541 2.527941  0.5961209E-01  0.8237205 0.7512106      1.046423  -1.067101      1.335633  2.015953       5.055882  
1 1 1 35 15 11 o 10.11914 4.021840  1.036856       1.214889  1.036856       1.214889  ?              ?         ?              ?         
1 1 1 35 15 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35 16 0  f 6.779337 3.091004  0.6919241E-01  0.8057618 0.8469546      1.604509  -0.1930994     0.9317754 0.000000       0.000000  
1 1 1 35 16 1  o 9.428654 2.397255  0.7141548      0.6517000 1.395001       0.8439946 -0.2912343     1.025610  3.830482       4.794509  
1 1 1 35 16 2  o 9.703529 2.269225  0.4420743      0.6255162 1.979581       0.9703622 -0.6510487     0.8182008 7.312990       4.538451  
1 1 1 35 16 3  o 11.43847 2.368749  1.401781       0.5831994 1.101332       0.8045943 1.734373       0.8465404 -2.268538      4.737497  
1 1 1 35 16 4  o 24.37934 1.421639  6.105592       0.6871530 6.221277       0.9190462 5.958938       1.034778  0.6085701      2.843279  
1 1 1 35 16 5  o 13.73956 2.623081  2.280024       0.7341678 1.639296       1.305537  2.576357       0.8878557 -3.083949      5.246161  
1 1 1 35 16 6  o 21.10366 1.486412  4.673569       0.6199700 5.350126       0.8647507 3.958046       0.8893047 3.321121       2.972825  
1 1 1 35 16 7  o 7.469052 2.306855  0.1073749E-01  0.6184254 0.7476930E-01  1.069302  -0.2144434E-01 0.7580673 1.325410       4.613710  
1 1 1 35 16 8  o 19.36847 2.292189  4.305442       0.8462495 4.940233       1.148681  3.551960       1.251470  4.062820       4.584378  
1 1 1 35 16 9  o 10.29038 2.670608  1.172417       0.7168494 1.369117       0.8664984 0.7458273      1.276060  1.096981       5.341215  
1 1 1 35 16 10 o 11.20658 2.926098  1.470492       0.9624263 2.189130       1.177665  0.2541039E-01  1.669986  3.809475       5.852197  
1 1 1 35 16 11 o 10.41842 4.636384  0.7145202      1.955889  0.7145202      1.955889  ?              ?         ?              ?         
1 1 1 35 17 0  o 8.559502 3.370862  1.070720       0.9145373 0.6575807E-01  1.635652  1.527782       1.103072  0.000000       0.000000  
1 1 1 35 17 1  o 24.20576 1.353951  6.004909       0.6504137 5.169596       0.9207155 6.836992       0.9189347 -3.445129      2.707903  
1 1 1 35 17 2  o 14.04983 2.285330  2.147602       0.6288066 2.401649       0.9282684 1.932176       0.8548014 1.550735       4.570661  
1 1 1 35 17 3  f 22.23992 1.452858  5.071400       0.6443021 5.051050       0.8774506 5.095211       0.9491261 -0.5454063E-01 2.905716  
1 1 1 35 17 4  o 18.51155 1.728068  3.605998       0.6356483 3.244373       0.9153551 3.942802       0.8833820 -1.916729      3.456136  
1 1 1 35 17 5  o 11.27547 2.640917  1.125251       0.7019644 2.340776       1.205968  0.5023808      0.8632818 5.636247       5.281834  
1 1 1 35 17 6  o 11.57029 2.395903  1.410892       0.6209416 2.301639       0.9539612 0.7560569      0.8179368 5.153438       4.791807  
1 1 1 35 17 7  o 30.26058 1.162766  9.297527       0.6979526 11.14437       1.042769  7.798660       0.9394102 5.445557       2.325532  
1 1 1 35 17 8  o 8.578448 2.509387  0.4691664      0.6916776 0.7152406      0.8228187 -0.1235767     1.277040  0.4645119      5.018775  
1 1 1 35 17 9  o 12.79603 2.696074  2.070348       0.7345860 2.251572       0.8814843 1.658417       1.328981  2.122566       5.392148  
1 1 1 35 17 10 o 17.40021 3.771019  3.722758       1.275370  3.722758       1.275370  ?              ?         ?              ?         
1 1 1 35 17 11 o 14.49230 5.055084  3.341093       1.804693  3.341093       1.804693  ?              ?         ?              ?         
1 1 1 35 18 0  o 37.00941 1.705828  13.67861       1.110825  15.01565       2.175058  13.20683       1.292028  0.000000       0.000000  
1 1 1 35 18 1  o 25.88425 1.388217  6.874532       0.7126432 6.678968       1.070311  7.030277       0.9551511 -0.7457371     2.776434  
1 1 1 35 18 2  o 7.608994 2.308456  0.5897463E-01  0.6293406 0.1063454      0.9170007 0.1679556E-01  0.8652927 0.3844795      4.616911  
1 1 1 35 18 3  f 18.60161 2.101582  3.713917       0.7435223 2.668489       1.003145  4.988390       1.107597  -6.372630      4.203164  
1 1 1 35 18 4  f 16.91058 1.973345  3.077760       0.6475393 2.608283       0.8931653 3.597940       0.9401588 -3.114145      3.946689  
1 1 1 35 18 5  o 15.52473 2.233153  2.420458       0.6682734 1.590382       0.8247839 4.006834       1.140209  -7.429451      4.466306  
1 1 1 35 18 6  o 13.58027 2.504799  1.996734       0.6805150 1.481890       0.8575751 2.872221       1.118301  -4.328244      5.009598  
1 1 1 35 18 7  o 17.09960 1.755391  3.127075       0.5976036 3.029500       0.8782035 3.211225       0.8155486 -0.6158218     3.510782  
1 1 1 35 18 8  o 15.75474 2.495732  2.984053       0.7633318 3.251038       0.9652619 2.538378       1.247129  2.978038       4.991465  
1 1 1 35 18 9  o 8.701480 2.527260  0.5483968      0.7173862 0.8955272      0.8575677 -0.2607742     1.309309  1.177124       5.054519  
1 1 1 35 18 10 f 8.531642 3.754996  0.1735981      1.239250  0.1735981      1.239250  ?              ?         ?              ?         
1 1 1 35 18 11 o 9.314260 4.352438  -0.1243741     2.000505  -0.1243741     2.000505  ?              ?         ?              ?         
1 1 1 35 19 0  o 8.540270 3.443472  1.107888       0.9266704 0.1226133      1.886677  1.421152       1.063835  0.000000       0.000000  
1 1 1 35 19 1  f 14.40408 2.549057  2.356286       0.7284344 2.462694       1.105592  2.274660       0.9683249 0.4563160      5.098114  
1 1 1 35 19 2  o 10.86011 2.495146  1.286199       0.7005680 1.949198       0.8806574 0.1435028      1.156155  4.529646       4.990293  
1 1 1 35 19 3  o 21.12933 1.695144  4.786243       0.6962965 5.306715       0.9205040 4.090130       1.064551  3.023132       3.390288  
1 1 1 35 19 4  o 14.34776 2.257709  2.339254       0.6333095 1.975200       0.9049447 2.688702       0.8866067 -2.456248      4.515418  
1 1 1 35 19 5  o 8.836315 2.428886  0.6086425      0.6219208 0.3229066      0.8428451 0.9501679      0.9214612 -1.859756      4.857772  
1 1 1 35 19 6  o 10.29709 2.516420  1.001696       0.6890337 1.861229       0.9965759 0.2145005      0.9537182 4.602607       5.032840  
1 1 1 35 19 7  f 8.694859 2.492313  0.5477758      0.6739734 0.5448263      0.9126121 0.5513145      0.9996012 -0.2375975     4.984627  
1 1 1 35 19 8  o 10.67560 2.806120  1.196123       0.7386825 1.051609       0.8700100 1.569370       1.398194  -1.780188      5.612241  
1 1 1 35 19 9  o 19.67329 2.153675  4.040665       0.8071896 3.310854       0.9762225 5.618053       1.435202  -4.864956      4.307351  
1 1 1 35 19 10 o 8.238199 3.817585  -0.3958821     1.498710  -0.3958821     1.498710  ?              ?         ?              ?         
1 1 1 35 20 0  o 23.35517 2.595360  5.803674       1.186317  5.803674       1.186317  5.803674       1.186317  0.000000       0.000000  
1 1 1 35 20 1  o 21.72125 1.671636  4.940393       0.7259533 4.829501       1.010661  5.058592       1.043430  -0.4942570     3.343272  
1 1 1 35 20 2  o 10.08865 2.438381  1.003870       0.6443372 1.649858       0.8848425 0.2746337      0.9401295 3.890577       4.876761  
1 1 1 35 20 3  o 6.246968 2.055629  -0.6364761     0.6225877 -0.5852447     0.8641782 -0.6917620     0.8977234 0.1405525E-01  4.111259  
1 1 1 35 20 4  o 7.573862 2.294827  0.1216441      0.6216343 0.6880639E-01  0.8858309 0.1729113      0.8725665 -0.1716018     4.589654  
1 1 1 35 20 5  o 9.986527 2.374764  0.9504096      0.6234547 1.749709       0.8848701 0.1624691      0.8785601 4.668402       4.749527  
1 1 1 35 20 6  o 8.804931 2.503073  0.5774373      0.6851755 0.2735301      1.020620  0.8267798      0.9244681 -1.055454      5.006145  
1 1 1 35 20 7  f 6.595162 2.162393  -0.5157855     0.6609019 -0.9360065     1.145862  -0.3063047     0.8090317 0.4105148      4.324786  
1 1 1 35 20 8  o 9.620560 2.787823  0.7601396      0.8386016 0.6510336      1.071864  0.9323168      1.346491  -1.082943      5.575646  
1 1 1 35 20 9  o 9.228331 2.675619  0.6205643      0.8520436 1.225006       0.9934701 -1.060675      1.656885  2.254605       5.351238  
1 1 1 35 20 10 o 7.803221 3.776467  -1.513602      1.817414  -1.513602      1.817414  ?              ?         ?              ?         
1 1 1 35 21 0  o 15.64779 3.699155  3.421255       0.9719590 3.369559       1.895849  3.439688       1.132053  0.000000       0.000000  
1 1 1 35 21 1  o 9.764746 2.584648  0.8280442      0.7007055 1.401219       1.039993  0.3515400      0.9482445 2.913293       5.169296  
1 1 1 35 21 2  o 15.48503 2.719493  2.652693       0.8110362 3.588838       1.388519  2.167907       0.9992062 3.688719       5.438987  
1 1 1 35 21 3  o 9.370977 2.481922  0.7115542      0.6614290 0.1458725      0.9087534 1.348822       0.9645413 -3.277885      4.963845  
1 1 1 35 21 4  o 8.566679 2.418583  0.5343716      0.6298340 0.6926158      0.8706227 0.3606233      0.9122761 0.7138491      4.837167  
1 1 1 35 21 5  o 9.729317 2.464878  0.9263262      0.6314290 0.4611032      0.8676960 1.450010       0.9206013 -2.958388      4.929756  
1 1 1 35 21 6  o 7.424876 2.292190  0.3264171E-01  0.6420619 0.5471125E-01  0.9209127 0.1176686E-01  0.8956399 0.1703610      4.584380  
1 1 1 35 21 7  f 9.235838 2.568115  0.7984040      0.6980914 1.055169       0.8369896 0.2115476      1.265373  1.042017       5.136230  
1 1 1 35 21 8  o 12.07470 2.773873  1.855354       0.7764003 2.085674       0.9753560 1.456995       1.282726  1.911541       5.547747  
1 1 1 35 21 9  o 7.526636 2.491681  -0.7010649     0.9469560 -0.1498436     1.177636  -1.709620      1.592935  0.4949708      4.983362  
1 1 1 35 21 10 o 7.786142 3.798887  -1.909438      1.935178  -1.909438      1.935178  ?              ?         ?              ?         
1 1 1 35 22 0  o 6.250787 3.000608  -0.3345964     0.8998412 0.3384150      1.768897  -0.5695599     1.045181  0.000000       0.000000  
1 1 1 35 22 1  o 18.91586 2.290437  4.252654       0.7935234 5.416594       1.052058  2.716626       1.208575  7.581391       4.580875  
1 1 1 35 22 2  o 15.65603 2.438385  2.842234       0.7400467 2.508697       1.110474  3.108715       0.9925882 -2.073838      4.876770  
1 1 1 35 22 3  o 9.998289 2.745484  0.8541796      0.8288963 1.404418       1.094163  0.1130813      1.269827  2.459112       5.490968  
1 1 1 35 22 4  o 9.151417 2.505045  0.6502326      0.7093962 1.263510       0.9348891 -0.1821538     1.089166  2.943155       5.010091  
1 1 1 35 22 5  o 8.350105 2.375732  0.1821422      0.6996877 -0.9488587     1.027400  1.160426       0.9555212 -3.933191      4.751463  
1 1 1 35 22 6  o 8.803306 2.618507  0.4810866      0.7573083 0.4447190      1.286635  0.5003648      0.9367672 0.7264080      5.237014  
1 1 1 35 22 7  o 10.05320 2.801665  0.9200148      0.7671728 0.7004743      0.9122688 1.450265       1.417770  -2.427481      5.603330  
1 1 1 35 22 8  o 9.585650 2.916911  0.3392751      0.8210431 0.2857140E-01  0.9172116 1.592219       1.841884  -4.470524      5.833822  
1 1 1 35 22 9  o 8.055394 2.629882  -0.1390679     0.8136240 -0.2713388     0.9183200 0.3438215      1.754631  -2.764000      5.259765  
1 1 1 35 23 0  o 7.332823 3.295817  0.5164061      0.9492018 0.4377417      1.793320  0.5470215      1.118767  0.000000       0.000000  
1 1 1 35 23 1  o 10.33154 2.593864  1.110175       0.6851395 0.7486838      0.9509754 1.500323       0.9879493 -2.209969      5.187728  
1 1 1 35 23 2  o 9.053212 2.395581  0.1317828      0.7069330 -1.150770      0.9414928 1.789493       1.070369  -6.465639      4.791162  
1 1 1 35 23 3  o 10.45215 2.630870  1.030140       0.7230842 0.3895145      0.9528793 1.899854       1.110259  -4.248970      5.261741  
1 1 1 35 23 4  o 6.289523 2.098162  -0.8960841     0.6894029 -1.188052      0.9489357 -0.5697326     1.003257  -0.9860301     4.196323  
1 1 1 35 23 5  o 7.896517 2.406000  0.3940523E-01  0.7202550 0.6688691      1.021035  -0.5840770     1.016172  2.279528       4.812000  
1 1 1 35 23 6  o 6.716954 2.210113  -0.6241992     0.7237437 -1.115169      1.118139  -0.2701769     0.9494756 -0.4926410     4.420226  
1 1 1 35 23 7  o 11.40174 2.772279  1.505700       0.7489355 1.188669       0.9459991 2.038090       1.225901  -2.415828      5.544557  
1 1 1 35 23 8  o 7.998047 2.681746  -0.6509391     0.8747264 -0.8564273     0.9736959 0.2085273      1.991335  -3.719517      5.363491  
1 1 1 35 23 9  o 14.71876 4.987841  3.401051       1.750414  3.401051       1.750414  ?              ?         ?              ?         
1 1 1 35 24 0  o 8.205951 3.645819  0.4481367      1.043631  1.930433       2.106156  -0.3426528E-01 1.201510  0.000000       0.000000  
1 1 1 35 24 1  o 16.10620 2.551095  2.914192       0.7813892 3.712038       1.301149  2.464144       0.9772297 3.126671       5.102190  
1 1 1 35 24 2  o 7.295272 2.298325  -0.1499614     0.6808884 -0.1794476     0.9497305 -0.1187782     0.9766779 -0.2027369     4.596649  
1 1 1 35 24 3  o 8.719292 2.523456  0.5250643      0.7035574 0.3364134      1.015405  0.6992646      0.9757408 -0.7176199     5.046913  
1 1 1 35 24 4  o 14.81646 2.430341  2.697708       0.7238448 1.933655       1.136290  3.219507       0.9390293 -4.638235      4.860682  
1 1 1 35 24 5  o 7.432903 2.380445  -0.2833840     0.7686812 0.1230271E-01  1.052726  -0.6210830     1.125031  0.7120504      4.760891  
1 1 1 35 24 6  o 9.892498 2.571169  0.5796773      0.7235534 2.217765       1.216384  -0.3173231     0.9001162 6.443816       5.142338  
1 1 1 35 24 7  o 11.19440 2.570838  0.6406642      0.7787054 -0.6675128     0.9486625 3.342686       1.363399  -9.724281      5.141676  
1 1 1 35 24 8  o 8.522679 2.790305  0.9297076E-02  0.8582113 -0.7195628E-01 0.9393873 0.4194159      2.110468  -2.928540      5.580611  
1 1 1 35 25 0  o 11.19418 3.992855  1.467845       0.9944103 3.931469       2.102648  0.7580650      1.128603  0.000000       0.000000  
1 1 1 35 25 1  o 9.079510 2.550037  0.6986842      0.6971868 0.4945973      1.007879  0.8859433      0.9654325 -0.8482218     5.100075  
1 1 1 35 25 2  o 9.823601 2.687247  0.8791821      0.7602236 0.4644976      1.012652  1.414714       1.150783  -2.506883      5.374494  
1 1 1 35 25 3  o 8.206987 2.476167  -0.8197619E-02 0.7464315 0.9969086      1.152916  -0.7335414     0.9794076 3.606001       4.952335  
1 1 1 35 25 4  o 8.602022 2.530469  0.4856838      0.7178280 0.5385794      1.052743  0.4397205      0.9813383 0.3908663      5.060937  
1 1 1 35 25 5  o 10.35602 2.762539  1.175385       0.7584254 1.322366       1.271724  1.094253       0.9448367 0.8750801      5.525077  
1 1 1 35 25 6  o 7.240705 2.289195  -0.1309757     0.6852136 -0.3641153     1.003898  0.7237662E-01  0.9375752 -0.5106273     4.578391  
1 1 1 35 25 7  o 12.51572 3.097701  2.227932       0.9261795 2.347267       1.044596  1.789295       2.002710  1.826347       6.195403  
1 1 1 35 26 0  o 11.26702 4.027561  2.153336       1.033381  2.505933       2.055927  2.034142       1.195353  0.000000       0.000000  
1 1 1 35 26 1  f 13.88688 2.834201  2.451355       0.8303218 2.614202       1.057950  2.190149       1.339881  1.632578       5.668403  
1 1 1 35 26 2  o 10.82109 2.530277  1.296936       0.7003964 0.4549562      1.004989  2.092083       0.9766394 -4.634688      5.060553  
1 1 1 35 26 3  o 23.85066 1.683368  6.132247       0.8019280 5.868500       1.143214  6.387746       1.125195  -1.117609      3.366736  
1 1 1 35 26 4  o 8.693645 2.635658  0.3850189      0.8227922 0.5632440      1.135731  0.1881568      1.193636  0.5429201      5.271317  
1 1 1 35 26 5  o 8.961205 2.505062  0.1691304      0.7592639 1.710943       1.158158  -0.9929639     1.005479  5.590298       5.010124  
1 1 1 35 26 6  o 11.62623 2.986092  1.804109       0.9261174 2.231859       1.238505  1.261552       1.394844  2.323286       5.972184  
1 1 1 35 26 7  o 9.995142 3.009549  1.004052       1.000771  1.168096       1.148868  0.4879670      2.037743  0.5845070E-02  6.019099  
1 1 1 35 27 0  o 6.891264 3.276941  -0.9090558E-02 1.197349  -0.2353875     1.983404  0.1206684      1.501899  0.000000       0.000000  
1 1 1 35 27 1  o 7.494912 2.345533  -0.6295937E-02 0.6955033 0.7298528E-01  0.9560443 -0.9542137E-01 1.013663  0.1163054      4.691067  
1 1 1 35 27 2  o 9.914009 2.664198  0.9083309      0.7435722 1.688939       1.166331  0.3737974      0.9651455 3.496575       5.328396  
1 1 1 35 27 3  o 22.73659 1.902599  5.812097       0.8335931 6.317695       1.082839  5.076580       1.306043  3.139145       3.805197  
1 1 1 35 27 4  o 11.81597 2.603637  1.683515       0.7311743 0.9004545      1.043143  2.439816       1.025165  -4.573793      5.207274  
1 1 1 35 27 5  o 10.51574 2.966038  0.7416617      0.8838763 -0.5942703E-02 1.033518  2.777255       1.705405  -6.045936      5.932076  
1 1 1 35 27 6  o 11.63529 2.892654  1.947723       0.9384720 2.478829       1.058963  0.4172022E-02  2.025760  4.309351       5.785308  
1 1 1 35 28 0  o 15.60846 3.704567  3.720682       0.9973528 3.248512       2.066982  3.863976       1.138678  0.000000       0.000000  
1 1 1 35 28 1  o 8.450079 2.304288  0.3991043      0.6594353 1.310949       0.8557308 -0.9340940     1.034723  4.211493       4.608576  
1 1 1 35 28 2  o 11.04689 2.630798  1.372255       0.7718323 2.298218       1.064869  0.3473599      1.120311  5.060600       5.261596  
1 1 1 35 28 3  o 13.60967 2.915212  2.447486       0.8612639 2.489143       1.191386  2.401885       1.246505  0.3537788      5.830424  
1 1 1 35 28 4  o 9.779221 2.636363  1.076371       0.7314470 0.6782651      1.019778  1.498194       1.049716  -2.080986      5.272725  
1 1 1 35 28 5  o 7.349024 2.325372  -0.2273467     0.7348244 -0.9898278     1.024841  0.5794106      1.054177  -2.467417      4.650744  
1 1 1 35 29 0  o 7.824987 3.221759  0.8348862      1.025555  -2.124228      2.120501  1.738370       1.171704  0.000000       0.000000  
1 1 1 35 29 1  o 9.174128 2.751873  0.6767443      0.8792728 0.8629425      1.160427  0.4257223      1.347367  0.4679575      5.503746  
1 1 1 35 29 2  o 7.527725 2.376687  -0.2346049     0.7805058 -1.223299      1.129769  0.6681420      1.079547  -2.590163      4.753375  
1 1 1 35 29 3  o 8.977313 2.621111  0.5243847      0.7715505 -0.7896403E-01 0.9841433 1.486661       1.242865  -3.581903      5.242223  
1 1 1 35 29 4  o 6.824547 2.274613  -0.7097741     0.7960635 -0.4099820     1.199309  -0.9458881     1.064344  1.051072       4.549226  
1 1 1 35 30 0  o 6.782254 3.124079  0.3756375      1.012706  -0.8189264     1.950380  0.8165783      1.184963  0.000000       0.000000  
1 1 1 35 30 1  o 5.393163 1.883853  -1.855917      0.7373675 -1.896376      1.006199  -1.808985      1.083698  -0.3471198     3.767705  
1 1 1 35 30 2  o 8.631542 2.732366  0.2529434      0.9571052 -1.135956      1.932978  0.7040577      1.101628  -0.5867472     5.464732  
1 1 1 36 0  0  o 34.45213 3.219930  11.53706       1.917386  14.83623       3.873454  10.46628       2.206710  0.000000       0.000000  
1 1 1 36 0  1  o 13.03619 3.336177  1.772076       1.281130  -1.552144      1.838648  4.908921       1.786078  0.000000       0.000000  
1 1 1 36 0  2  o 8.969266 3.704295  0.9192368      1.110100  0.2516118      1.463200  1.824696       1.704009  0.000000       0.000000  
1 1 1 36 0  3  o 8.667295 3.725470  0.4327868      1.286591  1.912921       1.856509  -0.9349753     1.784645  0.000000       0.000000  
1 1 1 36 0  4  o 28.07398 2.817757  8.274236       1.553194  8.274236       1.553194  8.274236       1.553194  0.000000       0.000000  
1 1 1 36 0  5  o 15.21847 4.071996  3.274953       1.144462  3.092170       1.488833  3.538958       1.789305  0.000000       0.000000  
1 1 1 36 0  6  o 13.68439 3.660062  2.233202       0.6995550 2.112177       0.7438611 3.159312       2.057721  0.000000       0.000000  
1 1 1 36 0  7  o 10.81028 2.726414  1.992557       0.6173359 2.257012       0.6512648 -0.3489691     1.937898  0.000000       0.000000  
1 1 1 36 0  8  o 16.40831 2.838556  1.941956       0.5733283 1.514537       0.6047931 5.732012       1.800956  0.000000       0.000000  
1 1 1 36 0  9  o 13.73945 6.838884  3.389843       2.258409  3.389843       2.258409  3.389843       2.258409  0.000000       0.000000  
1 1 1 36 0  10 o 8.519196 3.993665  0.3785784      1.510779  1.045835       2.934437  0.1379227      1.762286  0.000000       0.000000  
1 1 1 36 0  11 o 13.87774 4.678322  3.746702       1.685127  2.122969       2.747459  4.725882       2.133562  0.000000       0.000000  
1 1 1 36 0  12 o 10.70844 6.691332  2.207623       2.855342  2.207623       2.855342  2.207623       2.855342  0.000000       0.000000  
1 1 1 36 0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 36 1  0  o 18.20959 5.070195  4.245095       1.333424  5.549543       4.117262  4.092244       1.409383  0.000000       0.000000  
1 1 1 36 1  1  o 19.33605 2.382504  3.979806       0.8941301 3.336622       1.242011  4.671758       1.288237  -3.723465      4.765008  
1 1 1 36 1  2  o 7.702857 2.442679  -0.4554384     0.7870754 -0.8223436     1.092720  -0.5983605E-01 1.134649  -1.338096      4.885357  
1 1 1 36 1  3  o 10.81857 2.647119  0.7418650      0.8417919 -0.7441763     1.188258  2.239039       1.192701  -6.666877      5.294238  
1 1 1 36 1  4  o 11.61498 2.925952  1.223595       0.9097339 2.028233       1.272866  0.3833785      1.300702  3.870959       5.851904  
1 1 1 36 1  5  f 19.38885 1.862280  4.489676       0.5888290 2.790320       1.046165  5.277647       0.7123829 -6.871930      3.724561  
1 1 1 36 1  6  o 9.623290 2.477397  0.8663278      0.5928116 0.5742996      1.108808  0.9832100      0.7014851 -0.2309513     4.954794  
1 1 1 36 1  7  o 6.995095 1.870097  0.1708812      0.4054711 -0.3815067     0.5517327 0.8195590      0.5978898 -3.802086      3.740195  
1 1 1 36 1  8  o 11.67205 2.788296  0.6947806      0.4782400 0.4823599      0.4977755 3.242831       1.724007  -8.802205      5.576591  
1 1 1 36 1  9  o 11.66525 3.482974  0.5330318      1.483980  2.291690       2.155549  -1.051504      2.046059  4.541625       6.965947  
1 1 1 36 1  10 f 9.336113 4.147052  0.5657041E-01  1.557360  0.5657041E-01  1.557360  ?              ?         ?              ?         
1 1 1 36 1  11 o 10.82072 3.176800  0.9102759      1.176063  1.903362       1.691054  -0.1997999E-01 1.636685  3.153773       6.353601  
1 1 1 36 1  12 o 11.49071 3.708406  0.6136501      1.897691  1.437428       2.770452  -0.1145014     2.604693  1.602812       7.416811  
1 1 1 36 1  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 36 2  0  o 14.25606 4.118459  3.333475       1.262691  1.076125       3.141424  3.768456       1.378993  0.000000       0.000000  
1 1 1 36 2  1  o 17.81532 2.480782  3.435001       0.8514106 3.165597       1.173352  3.734594       1.237348  -1.544298      4.961564  
1 1 1 36 2  2  o 14.11414 2.733984  2.196209       0.8364148 3.057573       1.172565  1.303887       1.193450  5.146806       5.467967  
1 1 1 36 2  3  o 17.59349 2.853538  3.616435       0.9729124 4.092048       1.203936  2.721243       1.651713  4.310670       5.707076  
1 1 1 36 2  4  o 14.88533 2.301003  2.621620       0.6673399 1.505063       1.100510  3.270959       0.8392457 -5.895130      4.602005  
1 1 1 36 2  5  o 11.81532 2.351144  1.442247       0.5425631 1.756269       0.9945206 1.309181       0.6473908 1.641432       4.702287  
1 1 1 36 2  6  o 14.51158 2.159693  1.993554       0.5347983 2.949956       1.121514  1.712072       0.6084287 3.677577       4.319386  
1 1 1 36 2  7  f 8.479799 2.006733  0.7314070      0.4004163 0.7671040      0.5510429 0.6914712      0.5828426 0.2465868      4.013466  
1 1 1 36 2  8  o 11.75768 2.886085  1.053985       0.4906664 0.9547150      0.5081635 2.421514       1.886086  -4.829062      5.772171  
1 1 1 36 2  9  o 14.27502 3.671350  2.371057       1.290302  2.015132       1.567408  3.119358       2.272696  -2.341401      7.342699  
1 1 1 36 2  10 o 11.22046 3.112301  1.050740       1.103720  2.228031       1.555560  -0.1428423     1.566286  4.266042       6.224602  
1 1 1 36 2  11 o 11.21415 3.293897  1.234446       1.217615  1.337868       1.640977  1.107749       1.816272  0.1790657      6.587794  
1 1 1 36 2  12 o 10.18135 3.403541  -1.078586      1.901942  0.6506252      2.544615  -3.267501      2.862942  2.223007       6.807082  
1 1 1 36 2  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 36 3  0  o 8.613036 3.920686  0.5263043      1.177564  0.5053688      2.874346  0.5305268      1.290864  0.000000       0.000000  
1 1 1 36 3  1  o 12.93578 2.844885  1.783762       0.8326675 2.289913       1.182330  1.285681       1.172866  2.909084       5.689770  
1 1 1 36 3  2  o 11.54116 2.713549  1.205897       0.8171948 0.1473681      1.156234  2.262431       1.155143  -5.461959      5.427097  
1 1 1 36 3  3  o 13.06530 3.176235  1.822636       0.9908848 1.956304       1.246993  1.593647       1.632139  0.5079937      6.352469  
1 1 1 36 3  4  o 18.78989 1.770615  3.479506       0.6470127 4.381940       1.080951  2.975683       0.8076766 3.566442       3.541230  
1 1 1 36 3  5  o 22.26072 1.568486  5.306647       0.6491220 4.427650       1.091058  5.788247       0.8076019 -3.222151      3.136971  
1 1 1 36 3  6  o 14.35895 2.518478  2.449487       0.5955626 1.658102       1.510522  2.595156       0.6480607 -3.147277      5.036955  
1 1 1 36 3  7  o 8.388230 2.239529  0.6221101      0.4804983 0.2108180      1.002863  0.7446601      0.5474231 -0.2131920     4.479057  
1 1 1 36 3  8  o 12.72922 3.151819  1.676463       0.8603223 1.496094       0.9717536 2.330399       1.850299  -2.445364      6.303638  
1 1 1 36 3  9  o 10.16009 3.311295  -0.6752051     1.579866  -2.086965      2.595414  0.1558228      1.991288  -0.7962608     6.622590  
1 1 1 36 3  10 o 10.60126 3.201562  0.6652089      1.236686  1.278923       1.573139  -0.3276387     2.000899  1.507973       6.403124  
1 1 1 36 3  11 o 16.20257 3.429841  3.629223       1.236707  4.410831       1.709277  2.770552       1.791559  4.065152       6.859681  
1 1 1 36 3  12 o 13.57128 4.089009  2.643636       1.944175  2.518646       2.600374  2.802058       2.927573  -0.3710041     8.178019  
1 1 1 36 4  0  o 11.73157 3.972162  2.281199       1.217933  -0.2107769     2.861194  2.832663       1.345965  0.000000       0.000000  
1 1 1 36 4  1  o 13.76970 2.880614  2.078231       0.8581244 2.480432       1.222322  1.687347       1.205005  2.324617       5.761228  
1 1 1 36 4  2  o 8.792637 2.797226  -0.4600830     0.9476692 -0.6831484E-01 1.720798  -0.6306242     1.135350  2.686266       5.594452  
1 1 1 36 4  3  o 12.23475 2.571267  1.547047       0.6476662 1.982349       1.117575  1.326919       0.7947290 2.272825       5.142533  
1 1 1 36 4  4  o 8.520817 2.441115  0.4157451      0.6230175 0.1969039      1.104896  0.5177614      0.7543829 0.4064837      4.882229  
1 1 1 36 4  5  o 10.83657 2.435785  0.9322339      0.5767523 2.123965       1.082788  0.4601842      0.6814723 5.906859       4.871570  
1 1 1 36 4  6  o 9.854417 2.671498  0.7875496      0.5822751 0.6116845      1.542484  0.8167751      0.6287981 1.717241       5.342996  
1 1 1 36 4  7  o 16.96241 1.811576  2.696324       0.5385442 3.751838       1.127200  2.384121       0.6130380 3.519696       3.623151  
1 1 1 36 4  8  o 12.87152 3.099190  1.485942       0.7835009 1.139073       0.8662511 3.045699       1.836916  -5.180972      6.198380  
1 1 1 36 4  9  o 10.81304 4.844519  0.000000       0.000000  ?              ?         0.1018361      2.167724  ?              ?         
1 1 1 36 4  10 o 16.89933 3.342956  3.694456       1.174024  3.403498       1.612622  4.022579       1.712518  -1.397409      6.685911  
1 1 1 36 4  11 f 10.26895 3.135884  0.4728479      1.228443  1.540646       1.740696  -0.5866104     1.733885  2.932978       6.271768  
1 1 1 36 4  12 o 12.44090 3.702512  0.7792092      1.884764  -3.291523      2.748213  4.394054       2.589756  -7.266493      7.405023  
1 1 1 36 5  0  o 7.089990 3.488534  -0.5696564     1.211350  -1.513091      3.036285  -0.3910666     1.321037  0.000000       0.000000  
1 1 1 36 5  1  o 12.93530 3.004212  1.766439       0.9241894 2.323513       1.288207  1.175627       1.326642  2.991357       6.008424  
1 1 1 36 5  2  o 10.32543 2.860086  0.3852672      0.6571009 1.910353       1.699515  0.1172090      0.7125124 6.522565       5.720171  
1 1 1 36 5  3  o 15.31927 2.234140  2.473801       0.6334749 2.805767       1.094487  2.306574       0.7768134 1.271308       4.468280  
1 1 1 36 5  4  o 13.46702 2.519954  1.965781       0.6479422 2.031069       1.195830  1.938648       0.7709146 0.1675577      5.039909  
1 1 1 36 5  5  o 6.375643 2.050713  -0.3966969     0.5653337 -1.157258      1.015732  -0.5534924E-01 0.6804726 -0.2352266     4.101426  
1 1 1 36 5  6  o 13.86642 2.251459  2.087359       0.5604938 1.982323       1.103201  2.123905       0.6507373 -1.015384      4.502918  
1 1 1 36 5  7  o 22.04983 1.435632  4.703401       0.5715479 5.792129       1.116700  4.316971       0.6652919 2.977045       2.871263  
1 1 1 36 5  8  f 10.29997 2.975942  0.5174402      0.8203473 0.1793620      0.9237561 1.778928       1.784392  -4.889692      5.951884  
1 1 1 36 5  9  o 11.77398 3.394358  1.273011       1.270557  1.637131       1.620940  0.6928261      2.046106  0.9649363      6.788716  
1 1 1 36 5  10 o 8.261280 2.741557  -1.089902      1.148916  -1.655678      1.546919  -0.3938476     1.715799  -1.708155      5.483114  
1 1 1 36 5  11 o 8.644622 2.845380  -0.6985898     1.193184  -1.287289      1.637798  -0.3272408E-01 1.741836  -1.545277      5.690759  
1 1 1 36 5  12 o 11.49207 3.725682  0.8713420      1.947565  0.6625357      2.801022  1.066768       2.709790  -0.2815266     7.451364  
1 1 1 36 6  0  o 15.06707 4.796782  3.085271       1.274728  4.405212       3.074119  2.811182       1.400840  0.000000       0.000000  
1 1 1 36 6  1  o 8.586646 2.527610  0.2870340E-01  0.6679754 0.9362729      1.259614  -0.3263793     0.7878841 4.261114       5.055221  
1 1 1 36 6  2  o 14.11920 2.451435  2.403923       0.6561776 1.414552       1.327663  2.723709       0.7548099 -4.303919      4.902871  
1 1 1 36 6  3  o 7.638208 2.282632  -0.3228559     0.6061899 0.8115180      1.049111  -0.8914075     0.7427256 4.599233       4.565264  
1 1 1 36 6  4  o 7.832872 2.379779  -0.4900583     0.6504564 0.8489890      1.195439  -1.053233      0.7752661 5.074938       4.759559  
1 1 1 36 6  5  o 9.002630 2.408863  0.5712623      0.5619518 1.042066       1.010045  0.3601965      0.6762849 2.876028       4.817727  
1 1 1 36 6  6  o 14.13211 2.220690  2.188111       0.5673097 2.030837       1.079670  2.248094       0.6667752 -1.295614      4.441381  
1 1 1 36 6  7  o 11.92623 2.236961  1.066867       0.5411685 3.040996       1.079956  0.4049450      0.6253477 8.994307       4.473922  
1 1 1 36 6  8  o 9.473328 2.719518  0.6732917      0.7788314 0.8078259      0.9394025 0.3775111      1.392901  -0.1571627     5.439036  
1 1 1 36 6  9  o 9.293625 2.890045  -0.6087644     1.127167  1.304179       1.670394  -2.208021      1.527309  4.665270       5.780090  
1 1 1 36 6  10 o 10.12177 3.000280  0.4694148      1.122248  1.610948       1.496617  -0.9969854     1.696261  3.462209       6.000560  
1 1 1 36 6  11 o 9.776764 3.076018  0.3115159      1.211017  0.1789343      1.662438  0.4614143      1.767675  -0.5680513     6.152035  
1 1 1 36 6  12 o 10.16412 3.417980  -0.5860555     1.915195  -1.523640      2.799022  0.2393354      2.626219  -1.015165      6.835961  
1 1 1 36 7  0  o 8.071294 3.459674  0.8303788      0.7777493 -1.882861      3.074734  1.015847       0.8038920 0.000000       0.000000  
1 1 1 36 7  1  o 6.992298 2.139327  -0.7106701E-01 0.5560185 -0.3104415     0.7790107 0.1775184      0.7938570 -1.105932      4.278653  
1 1 1 36 7  2  o 12.14723 2.636315  1.564486       0.6692114 1.691908       1.185519  1.504895       0.8107318 0.7896595      5.272629  
1 1 1 36 7  3  o 28.03730 1.281979  8.247327       0.6890179 6.929703       1.090268  9.123503       0.8890646 -4.002468      2.563958  
1 1 1 36 7  4  o 12.08025 2.546054  1.552436       0.6397210 1.757614       1.079167  1.441274       0.7943332 1.147630       5.092108  
1 1 1 36 7  5  o 7.045997 2.161822  -0.7394268E-01 0.5746881 -0.9431923     1.042381  0.3056512      0.6888331 -0.8257384     4.323644  
1 1 1 36 7  6  o 11.59440 2.441247  1.404377       0.5720824 1.685154       1.039628  1.282430       0.6851426 1.497803       4.882493  
1 1 1 36 7  7  o 18.05090 2.070048  3.561640       0.5871642 3.495846       1.266258  3.579661       0.6627195 -1.244469      4.140096  
1 1 1 36 7  8  o 6.759804 2.286566  -1.230810      0.8379795 -0.9512398     1.021656  -1.805554      1.464863  -0.7066655     4.573132  
1 1 1 36 7  9  f 8.551626 2.765565  -0.7133999     1.119614  -2.212938      1.753070  0.3195751      1.455007  -1.925250      5.531130  
1 1 1 36 7  10 o 8.876692 2.931607  -0.8622404     1.234555  -1.439281      1.568528  0.7722450E-01  2.001378  -2.533402      5.863214  
1 1 1 36 7  11 o 10.27706 3.443834  -0.7838826     1.885683  -1.232672      2.560542  -0.2520498     2.787393  -1.037089      6.887669  
1 1 1 36 7  12 o 12.09029 5.404001  0.000000       0.000000  ?              ?         1.924046       2.683270  ?              ?         
1 1 1 36 8  0  o 6.409932 3.067089  0.5876317E-02  0.7538648 -0.5716086     2.184024  0.8398658E-01  0.8032320 0.000000       0.000000  
1 1 1 36 8  1  o 23.58149 1.333589  5.637218       0.6273708 5.251445       0.8517880 6.094631       0.9275137 -1.750156      2.667177  
1 1 1 36 8  2  o 18.26349 1.600460  3.423393       0.5845034 3.498907       0.8276522 3.348256       0.8255768 0.4112339      3.200921  
1 1 1 36 8  3  o 11.24593 2.635897  1.266925       0.6436192 1.437422       1.210271  1.199693       0.7599962 1.259351       5.271795  
1 1 1 36 8  4  o 7.161126 2.233505  -0.3177282     0.6203184 0.2651694      0.9912062 -0.6929966     0.7953145 2.581971       4.467011  
1 1 1 36 8  5  o 6.849067 2.199455  -0.3554375     0.6173087 -0.8861932     1.145857  -0.1384067     0.7327299 0.5629811      4.398909  
1 1 1 36 8  6  o 9.899066 2.434670  0.9698437      0.5739189 1.115653       0.9555929 0.8875742      0.7177957 1.111504       4.869340  
1 1 1 36 8  7  o 7.268699 2.334724  -0.1254190     0.6152450 -1.482827      1.555329  0.1263867      0.6698843 0.9317789      4.669448  
1 1 1 36 8  8  o 9.600470 2.687052  0.4987146      0.7659534 -0.5936551E-01 0.9550149 1.505009       1.282403  -4.207977      5.374104  
1 1 1 36 8  9  o 8.546955 2.798414  -0.6923873     1.136739  -0.8943601     1.609726  -0.4914824     1.605465  -0.4402571     5.596827  
1 1 1 36 8  10 o 10.16176 3.088675  0.6418043      1.146836  1.062385       1.542196  0.1214935      1.715324  1.118981       6.177350  
1 1 1 36 8  11 o 11.89189 3.305593  1.439908       1.406597  3.041078       1.703943  -1.985240      2.492160  5.546280       6.611186  
1 1 1 36 8  12 o 10.29138 4.872343  0.000000       0.000000  ?              ?         -0.8204233E-02 2.688190  ?              ?         
1 1 1 36 9  0  o 5.904819 2.728434  -0.7520893E-01 0.7986858 -3.738062      2.098582  0.5451946      0.8636808 0.000000       0.000000  
1 1 1 36 9  1  o 13.61931 2.191509  1.993579       0.5840544 1.652130       0.7897726 2.405702       0.8676668 -2.620883      4.383019  
1 1 1 36 9  2  o 12.62172 2.275434  1.736164       0.5750813 1.688839       0.7845384 1.791124       0.8454489 -0.3471603     4.550869  
1 1 1 36 9  3  o 12.26929 2.438752  1.611190       0.6161465 1.920354       0.9674104 1.400186       0.7992104 1.815351       4.877505  
1 1 1 36 9  4  o 9.376735 2.162305  -0.5502152E-01 0.5928532 2.137174       1.012109  -1.200085      0.7314801 8.968084       4.324611  
1 1 1 36 9  5  o 13.58980 2.356920  2.180089       0.6329091 1.338297       1.162350  2.534857       0.7545812 -4.164381      4.713841  
1 1 1 36 9  6  f 7.383998 2.254792  0.5963118E-01  0.5730830 0.5964907E-01  1.016845  0.5962285E-01  0.6937588 1.244942       4.509585  
1 1 1 36 9  7  o 11.35112 2.389368  1.225700       0.5713307 2.259685       1.020049  0.7530470      0.6896597 5.229497       4.778736  
1 1 1 36 9  8  o 10.71693 2.963981  1.055378       0.9118597 0.9298531      1.198855  1.227677       1.404566  -0.9900789     5.927963  
1 1 1 36 9  9  o 8.874347 2.829526  -0.2576721     0.9667817 0.5251700      1.774802  -0.5879713     1.152833  3.145056       5.659052  
1 1 1 36 9  10 o 9.071914 2.888690  -0.6902835E-01 1.102738  -0.3505175     1.480384  0.2818662      1.652844  -1.207136      5.777379  
1 1 1 36 9  11 o 13.59438 3.466228  2.562918       1.492922  4.035267       1.769699  -1.071121      2.780281  6.765253       6.932455  
1 1 1 36 9  12 o 10.40467 4.857527  0.000000       0.000000  ?              ?         0.4418097      2.484569  ?              ?         
1 1 1 36 10 0  o 26.92792 2.524914  6.873640       0.9289650 9.133070       2.486305  6.507042       1.001497  0.000000       0.000000  
1 1 1 36 10 1  o 22.92564 1.434136  5.377954       0.6536018 6.114421       0.9324029 4.666444       0.9164681 3.149731       2.868272  
1 1 1 36 10 2  o 6.830591 2.164413  -0.6147436     0.6167751 -1.171255      0.7892485 0.2582532      0.9885147 -3.228789      4.328825  
1 1 1 36 10 3  o 8.764907 2.325191  0.5746085      0.5947793 -0.1352402     0.9334516 1.059795       0.7717264 -2.669853      4.650382  
1 1 1 36 10 4  o 7.443274 2.251445  0.5815278E-01  0.5916838 -0.3292130     0.9942710 0.2705505      0.7362394 -0.2129598     4.502890  
1 1 1 36 10 5  o 9.928961 2.598264  0.8869520      0.6413924 0.9164298      1.195027  0.8750246      0.7601581 1.027621       5.196528  
1 1 1 36 10 6  o 13.39372 2.029694  1.915638       0.5511830 3.005063       0.8265025 1.043066       0.7396844 7.051674       4.059388  
1 1 1 36 10 7  o 13.41796 2.280431  2.076359       0.5670146 1.810480       1.095632  2.173619       0.6626564 -1.933799      4.560862  
1 1 1 36 10 8  o 18.64234 2.502542  3.857168       0.9074031 3.193941       1.190926  4.775079       1.401051  -4.181368      5.005084  
1 1 1 36 10 9  o 11.43882 3.066208  1.318546       0.9515097 2.019979       1.535347  0.8811538      1.212407  2.869043       6.132417  
1 1 1 36 10 10 o 8.626225 2.831342  -0.6349324     1.179065  -0.9010883E-01 1.615512  -1.255921      1.724743  0.9662466      5.662684  
1 1 1 36 10 11 o 13.97746 4.129327  2.886814       1.929175  2.752268       2.748626  3.017446       2.708352  -0.3492022     8.258654  
1 1 1 36 10 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 36 11 0  o 6.327136 2.888477  0.1502294      0.8091881 -2.455910      2.071337  0.6195987      0.8790410 0.000000       0.000000  
1 1 1 36 11 1  o 25.69091 1.313846  6.775877       0.6696866 7.434071       0.9245386 6.049338       0.9713545 2.718615       2.627691  
1 1 1 36 11 2  o 16.38643 1.911592  2.834475       0.6114897 3.059748       0.8690377 2.613566       0.8605785 1.593856       3.823184  
1 1 1 36 11 3  o 10.55381 2.293245  1.059467       0.5721049 1.879147       0.8609222 0.4112539      0.7655980 5.036094       4.586489  
1 1 1 36 11 4  o 10.49266 2.441941  1.156551       0.6303454 0.4241492      1.045373  1.574987       0.7901525 -3.016041      4.883882  
1 1 1 36 11 5  o 17.06070 1.890754  3.108992       0.6273137 2.771708       0.8885299 3.444197       0.8857873 -2.208986      3.781509  
1 1 1 36 11 6  o 16.13510 1.752704  2.724365       0.5639153 2.991156       0.8355039 2.501141       0.7642452 1.442690       3.505408  
1 1 1 36 11 7  o 7.704113 2.148090  0.3326927      0.5209522 -0.1697004     0.7492476 0.8028792      0.7248341 -2.494962      4.296180  
1 1 1 36 11 8  o 14.23756 2.515937  2.831116       0.7959536 3.585461       0.9142733 0.4693633      1.617739  8.226604       5.031875  
1 1 1 36 11 9  o 10.56968 2.889683  1.138126       0.8466607 1.145764       1.058091  1.124529       1.411658  -0.4218569     5.779366  
1 1 1 36 11 10 o 8.772468 2.903916  -0.2864413     0.9178159 -0.3292201     0.9953428 -0.4348034E-01 2.372066  -3.485422      5.807833  
1 1 1 36 11 11 o 7.530875 3.516497  -0.6528752     1.302830  -0.6528752     1.302830  ?              ?         ?              ?         
1 1 1 36 11 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 36 12 0  o 36.22155 1.819975  12.55305       1.032391  15.26346       2.431827  11.95716       1.140244  0.000000       0.000000  
1 1 1 36 12 1  o 20.42184 1.488012  4.259977       0.6060184 4.476646       0.8989516 4.079479       0.8204911 0.9254017      2.976024  
1 1 1 36 12 2  o 9.698056 2.452999  0.7543534      0.6303102 0.2202405      0.8401525 1.442047       0.9533206 -3.759802      4.905997  
1 1 1 36 12 3  o 9.424349 2.098766  0.5382972      0.5469049 1.831624       0.8260136 -0.4712201     0.7297767 7.018540       4.197532  
1 1 1 36 12 4  o 11.34347 2.538185  1.367913       0.6460032 1.662107       0.9671488 1.130925       0.8680393 1.819021       5.076371  
1 1 1 36 12 5  o 10.86235 2.341404  1.288875       0.5454066 1.416794       0.8680387 1.205432       0.7010776 0.8095999      4.682807  
1 1 1 36 12 6  o 8.811353 2.155452  0.5694346      0.5353014 1.443156       0.7748119 -0.2284434     0.7404199 4.992489       4.310903  
1 1 1 36 12 7  o 12.64039 2.266565  1.787556       0.5570329 1.907158       0.9317712 1.721038       0.6948760 0.4182253      4.533131  
1 1 1 36 12 8  o 7.866478 2.481875  -0.4994626E-01 0.6918109 -0.8097761E-01 0.7957836 0.4607591E-01  1.399846  -2.149611      4.963750  
1 1 1 36 12 9  o 8.467532 2.570376  0.2705441      0.7936267 0.6529508      0.9761562 -0.4750546     1.363042  0.8848171      5.140753  
1 1 1 36 12 10 o 9.041752 2.893862  -0.1678732     0.9761623 -0.5640184     1.133292  0.9709860      1.921541  -3.800352      5.787723  
1 1 1 36 12 11 o 11.86257 4.237679  1.848303       1.274920  1.848303       1.274920  ?              ?         ?              ?         
1 1 1 36 13 0  o 6.767632 3.224271  -0.2057769     0.8349018 0.5875229      2.073800  -0.3592291     0.9120840 0.000000       0.000000  
1 1 1 36 13 1  o 24.44741 1.901083  6.192360       0.7898199 6.175902       0.9054157 6.244754       1.615437  0.3571320      3.802166  
1 1 1 36 13 2  o 10.24253 2.475996  1.045310       0.6067759 0.9452249      0.8077428 1.174937       0.9192525 -0.9206791     4.951993  
1 1 1 36 13 3  o 11.14556 2.515064  1.207313       0.6437395 0.7207949      0.8305721 1.939257       1.018748  -4.080377      5.030128  
1 1 1 36 13 4  o 12.46943 2.459393  1.737823       0.6353189 1.557036       0.8572162 1.958153       0.9463328 -1.350290      4.918785  
1 1 1 36 13 5  f 10.06608 2.540319  0.5396082      0.7012204 -0.3010680     0.8707674 2.090561       1.182734  -6.601804      5.080638  
1 1 1 36 13 6  o 7.007704 2.119138  0.9101386E-01  0.5248142 0.1479664      0.7886146 0.4574050E-01  0.7031201 0.5776658      4.238276  
1 1 1 36 13 7  o 7.420984 2.154218  0.9639245E-01  0.5378093 0.7506908      0.8198347 -0.3978706     0.7125535 3.118108       4.308436  
1 1 1 36 13 8  o 7.585264 2.550651  -1.035522      0.9807842 -0.4142036     1.113103  -3.192707      2.074062  -0.3558335     5.101303  
1 1 1 36 13 9  o 11.44137 2.791319  1.581519       0.8268225 2.109623       1.057287  0.7500731      1.326631  3.298602       5.582639  
1 1 1 36 13 10 o 7.015853 3.235731  -0.4693030     1.060233  -0.4693030     1.060233  ?              ?         ?              ?         
1 1 1 36 13 11 o 11.82292 4.726361  1.956146       1.687191  1.956146       1.687191  ?              ?         ?              ?         
1 1 1 36 14 0  o 14.08178 3.692043  2.360928       0.8293498 3.662210       1.801024  2.010734       0.9343038 0.000000       0.000000  
1 1 1 36 14 1  o 12.25879 2.577844  1.503419       0.6695037 1.065880       0.8352116 2.289967       1.119826  -4.083405      5.155689  
1 1 1 36 14 2  o 15.01012 2.235094  2.437884       0.6475593 2.806682       0.9749165 2.146713       0.8662573 2.061912       4.470187  
1 1 1 36 14 3  o 8.640572 2.201356  0.5109676E-01  0.6206488 -1.258765      0.8440517 1.593079       0.9157903 -6.598361      4.402713  
1 1 1 36 14 4  o 12.39136 2.392151  1.733780       0.6272233 2.255350       0.8899963 1.219113       0.8840886 3.565048       4.784303  
1 1 1 36 14 5  o 13.71029 2.317045  2.069084       0.6140122 2.468857       1.001158  1.828053       0.7773795 1.928439       4.634089  
1 1 1 36 14 6  o 7.329096 2.214718  -0.3500913E-01 0.5969005 -0.5289610     0.8154403 0.5351795      0.8761110 -2.410757      4.429436  
1 1 1 36 14 7  o 14.02088 2.177385  2.277401       0.5911664 1.872033       0.9569691 2.527559       0.7517610 -2.801128      4.354770  
1 1 1 36 14 8  o 8.614083 2.650208  0.8652905E-01  0.8573136 -0.3438223     1.145869  0.6337368      1.292110  -2.034966      5.300416  
1 1 1 36 14 9  o 8.155725 2.542614  0.6506523E-01  0.8114462 0.3464928      1.026792  -0.4030447     1.324260  0.3537011      5.085228  
1 1 1 36 14 10 o 7.818100 3.511089  -0.1140347     1.144652  -0.1140347     1.144652  ?              ?         ?              ?         
1 1 1 36 14 11 o 10.30904 4.291419  1.196375       1.464509  1.196375       1.464509  ?              ?         ?              ?         
1 1 1 36 15 0  o 9.130419 3.257177  1.351315       0.7691972 0.2228996      1.779940  1.610441       0.8529549 0.000000       0.000000  
1 1 1 36 15 1  o 9.312469 2.431545  0.7886381      0.6008556 0.8954964      0.8556422 0.6846791      0.8439546 0.6539793      4.863089  
1 1 1 36 15 2  o 8.218324 2.380778  0.3444144      0.6304281 0.9593199E-01  0.9069835 0.5766852      0.8768975 -1.033828      4.761557  
1 1 1 36 15 3  o 7.003237 2.163211  -0.4879409     0.6095437 -1.245334      0.7977571 0.5744722      0.9448369 -3.759810      4.326423  
1 1 1 36 15 4  o 19.53129 1.743024  4.065072       0.6674657 4.320002       0.8815372 3.722566       1.021795  1.679176       3.486048  
1 1 1 36 15 5  o 9.840065 2.467121  1.008618       0.6101042 1.064546       0.8569283 0.9511251      0.8688300 0.3300638      4.934242  
1 1 1 36 15 6  o 15.36409 2.096952  2.489035       0.6236033 3.313557       0.9986166 1.961972       0.7984155 4.348429       4.193904  
1 1 1 36 15 7  o 7.853979 2.218739  0.3903243      0.5548829 -0.1308816     0.8578170 0.7653094      0.7276073 -1.834867      4.437478  
1 1 1 36 15 8  o 16.60831 2.440110  3.050830       0.7365416 2.700611       0.8810825 3.863411       1.342085  -2.389769      4.880220  
1 1 1 36 15 9  o 11.29958 2.837619  1.616386       0.9307773 2.265518       1.018040  -1.690532      2.297787  4.582763       5.675238  
1 1 1 36 15 10 o 12.58062 4.070465  2.033975       1.166507  2.033975       1.166507  ?              ?         ?              ?         
1 1 1 36 15 11 o 7.936808 3.864676  -1.789175      1.966537  -1.789175      1.966537  ?              ?         ?              ?         
1 1 1 36 16 0  o 7.729547 3.348863  0.7266765      0.9578898 0.8472887E-01  1.779826  0.9884371      1.136527  0.000000       0.000000  
1 1 1 36 16 1  o 10.73950 2.510396  1.234889       0.6511462 0.7652070      0.9461663 1.657478       0.8974809 -2.722035      5.020793  
1 1 1 36 16 2  o 20.04657 1.725905  4.191446       0.6896558 4.620014       1.025322  3.837353       0.9319867 1.856501       3.451809  
1 1 1 36 16 3  o 29.56639 1.372716  9.022251       0.8054624 9.083456       1.217752  8.974648       1.073944  0.6252289E-01  2.745431  
1 1 1 36 16 4  f 9.111069 2.428962  0.7592017      0.6094635 0.9429631      0.8434523 0.5584244      0.8816383 1.007076       4.857923  
1 1 1 36 16 5  o 12.43623 2.326784  1.784944       0.6365246 2.606998       0.8774166 0.8716732      0.9248161 5.759425       4.653569  
1 1 1 36 16 6  o 13.73796 3.434299  1.426926       0.7660664 4.397975       2.517122  1.123643       0.8042162 7.285973       6.868598  
1 1 1 36 16 7  o 20.40029 1.924222  4.232780       0.7494354 3.641612       0.9103320 5.476104       1.320191  -3.869408      3.848444  
1 1 1 36 16 8  o 8.908688 2.616300  0.5714883      0.7304274 0.6309007      0.8776232 0.4375713      1.317612  -0.6032076     5.232600  
1 1 1 36 16 9  o 10.32190 2.898280  0.6312977      0.9801905 2.279520       1.496547  -0.6069487     1.297137  5.474936       5.796559  
1 1 1 36 16 10 o 6.422569 3.106229  -1.367356      1.221820  -1.367356      1.221820  ?              ?         ?              ?         
1 1 1 36 17 0  o 11.36355 3.660140  2.087482       0.8910969 1.594889       1.937663  2.219604       1.003510  0.000000       0.000000  
1 1 1 36 17 1  o 8.990177 2.432127  0.6195860      0.6511205 -0.3199241E-01 0.9800553 1.134434       0.8711775 -2.634031      4.864254  
1 1 1 36 17 2  o 8.039480 2.249718  0.3148852      0.5892422 -0.4145023     0.8742380 0.9220699      0.7976474 -2.922093      4.499437  
1 1 1 36 17 3  o 13.13735 2.412025  1.929095       0.6333966 1.628253       0.8204357 2.372951       0.9965447 -2.388049      4.824049  
1 1 1 36 17 4  o 6.801461 2.149137  -0.2177979     0.5999285 -0.6309336E-01 0.8427960 -0.3767073     0.8541725 0.5262690      4.298274  
1 1 1 36 17 5  o 11.66360 2.532248  1.597514       0.6604071 1.872555       0.8434321 1.161693       1.061710  2.242408       5.064497  
1 1 1 36 17 6  o 7.970444 2.559526  -0.2988777     0.6931467 0.4613021      1.580535  -0.4798964     0.7712721 4.012993       5.119052  
1 1 1 36 17 7  o 14.54920 2.477769  2.849292       0.7716478 3.660544       0.9377320 1.147812       1.358046  7.720516       4.955537  
1 1 1 36 17 8  o 16.05266 2.511465  3.059535       0.7476897 3.070396       0.8988737 3.035146       1.347032  1.373522       5.022929  
1 1 1 36 17 9  o 7.752449 2.588168  -0.8089663     0.9641591 -0.8445947     1.157016  -0.7280040     1.744144  -1.750372      5.176336  
1 1 1 36 17 10 o 7.243573 3.456932  -0.9592782     1.385531  -0.9592782     1.385531  ?              ?         ?              ?         
1 1 1 36 18 0  o 7.323163 3.231411  0.5470499      0.8392055 0.8553501      1.626245  0.4351531      0.9797332 0.000000       0.000000  
1 1 1 36 18 1  o 13.14159 2.412534  2.029760       0.6693059 1.269279       0.9849671 2.682153       0.9122884 -4.712209      4.825068  
1 1 1 36 18 2  o 9.246759 2.571526  0.7125499      0.6968321 0.8752728      0.8971151 0.4650433      1.106413  0.5090265      5.143053  
1 1 1 36 18 3  o 16.81717 1.938735  3.058774       0.6310281 2.542946       0.8706543 3.629582       0.9158792 -3.411311      3.877470  
1 1 1 36 18 4  o 14.12015 2.278302  2.266976       0.6294680 2.218329       0.9045104 2.312662       0.8765520 -0.3659754     4.556604  
1 1 1 36 18 5  o 8.502504 2.426314  0.5216615      0.6371723 0.4023497      0.9038841 0.6395133      0.8983370 -0.5656481     4.852628  
1 1 1 36 18 6  o 7.370214 2.326970  -0.4121398     0.7319226 -1.176378      1.012427  0.4245908      1.059357  -2.613924      4.653940  
1 1 1 36 18 7  o 11.44833 3.100849  1.508338       0.9870561 1.597055       1.507688  1.441790       1.305795  0.4762669      6.201699  
1 1 1 36 18 8  o 8.032792 2.480483  0.9315100E-01  0.7839496 0.6418551      0.9399527 -1.160766      1.420925  1.363401       4.960966  
1 1 1 36 18 9  o 8.707655 2.805479  -0.3020172E-01 1.036146  0.2050508      1.251472  -0.5429392     1.847573  -0.3839273     5.610959  
1 1 1 36 18 10 o 9.305152 4.331527  -0.7597430E-01 1.957432  -0.7597430E-01 1.957432  ?              ?         ?              ?         
1 1 1 36 19 0  o 8.437755 4.502913  1.154337       1.022187  1.154337       1.022187  1.154337       1.022187  0.000000       0.000000  
1 1 1 36 19 1  o 12.30008 2.586265  1.763044       0.6913801 1.461006       1.022091  2.017827       0.9387370 -1.829527      5.172531  
1 1 1 36 19 2  o 7.075096 2.184115  -0.3686532     0.6397490 0.5299695      0.8987259 -1.291746      0.9108800 3.025668       4.368229  
1 1 1 36 19 3  o 8.917013 2.434291  0.6902542      0.6156686 0.7749346      0.8415962 0.5927620      0.9030191 0.3535662      4.868583  
1 1 1 36 19 4  o 8.641923 2.456103  0.4996336      0.6602941 0.1555831      0.9032519 0.8945048      0.9676660 -1.934402      4.912205  
1 1 1 36 19 5  o 7.236042 2.264093  -0.9299608E-01 0.6471630 0.2028053E-01  0.9372339 -0.1962245     0.8947002 0.5563436      4.528186  
1 1 1 36 19 6  o 9.818302 2.495448  1.052791       0.6256074 0.9928803      0.9060801 1.107373       0.8648447 -0.2932577     4.990895  
1 1 1 36 19 7  o 11.27947 2.785534  1.408581       0.7319240 1.154299       0.8836622 1.964257       1.306291  -2.373209      5.571068  
1 1 1 36 19 8  o 10.70695 2.753092  1.266300       0.7143474 1.145136       0.8506527 1.556143       1.315674  -1.393033      5.506185  
1 1 1 36 19 9  o 11.05463 3.109374  1.300329       0.9768986 0.6967836      1.180074  2.614626       1.741410  -4.005774      6.218747  
1 1 1 36 20 0  o 6.437966 2.917278  0.1839178      0.8703349 -1.487443      1.743301  0.7387999      1.004471  0.000000       0.000000  
1 1 1 36 20 1  o 8.616482 2.383419  0.5063627      0.6197268 1.016606       0.9018662 0.4988936E-01  0.8530239 2.594124       4.766838  
1 1 1 36 20 2  o 8.934759 2.739773  0.1430541      0.8083271 0.7452708      1.563621  -0.7658304E-01 0.9442957 3.083708       5.479546  
1 1 1 36 20 3  o 10.00171 2.489079  1.008426       0.6501390 0.4605876      0.9099593 1.579694       0.9292138 -3.260293      4.978159  
1 1 1 36 20 4  o 9.617791 2.493128  0.9438514      0.6291471 1.067899       0.9045850 0.8276209      0.8756183 0.7478905      4.986257  
1 1 1 36 20 5  o 8.197272 2.410383  0.2990046      0.6935507 -0.4612770     1.089850  0.8164436      0.8991020 -1.978579      4.820767  
1 1 1 36 20 6  o 8.043134 2.314920  0.2018295      0.6379737 1.046225       0.9263758 -0.5599323     0.8798808 3.578623       4.629840  
1 1 1 36 20 7  f 8.840203 2.933928  -0.7088000     0.8922694 -1.079917      0.9697185 1.340047       2.278480  -5.833342      5.867857  
1 1 1 36 20 8  o 6.243989 2.131445  -1.203553      0.7712216 -0.8267683     0.9313791 -2.025401      1.375548  -0.4022503     4.262890  
1 1 1 36 20 9  o 9.457684 2.872387  0.7323807      0.9686985 0.5211518      1.283125  1.012329       1.477172  -1.102626      5.744773  
1 1 1 36 21 0  o 8.834173 3.585832  1.230086       0.8950450 0.9192341      2.070915  1.301489       0.9925328 0.000000       0.000000  
1 1 1 36 21 1  o 6.768196 2.162853  -0.3807345     0.6450198 -0.9204897     0.9539008 0.7396539E-01  0.8755223 -1.273558      4.325707  
1 1 1 36 21 2  o 11.55407 2.497589  1.471901       0.6891462 0.6276906      0.9596770 2.370741       0.9902413 -5.309816      4.995179  
1 1 1 36 21 3  o 10.44634 2.766628  1.137476       0.7796932 1.244837       1.132401  1.040699       1.075132  0.5982876      5.533256  
1 1 1 36 21 4  o 7.865745 2.417873  0.1162268      0.7023556 0.4525606E-01  0.9310879 0.2099316      1.069872  -0.7425270     4.835745  
1 1 1 36 21 5  o 11.36823 2.565477  1.563473       0.7076262 0.7875659      1.099339  2.112380       0.9246485 -3.846954      5.130955  
1 1 1 36 21 6  f 12.65675 2.752094  1.752477       0.7539501 1.125932       0.9230630 3.008290       1.306825  -5.288610      5.504189  
1 1 1 36 21 7  o 8.849625 2.748215  0.2074484      0.9439481 0.5547122      1.332967  -0.1418837     1.336930  1.072657       5.496430  
1 1 1 36 21 8  o 7.747548 2.468843  -0.7858330     0.8165358 -1.865131      1.017021  1.171725       1.369672  -4.920308      4.937685  
1 1 1 36 22 0  o 6.596503 3.085900  0.1084166      0.9821358 -0.8272368     1.915782  0.4419884      1.143888  0.000000       0.000000  
1 1 1 36 22 1  o 10.98498 2.622767  1.380727       0.6856111 1.279105       0.9785827 1.478701       0.9608611 -0.6060286     5.245533  
1 1 1 36 22 2  o 12.67085 2.619699  1.936311       0.7095773 2.125337       0.9539080 1.702145       1.061714  1.452090       5.239397  
1 1 1 36 22 3  o 7.672412 2.366264  0.8379718E-01  0.6828598 0.1605072      0.9845937 0.1270244E-01  0.9478720 0.3952985      4.732529  
1 1 1 36 22 4  o 9.969271 2.580963  0.7601970      0.7447380 2.010206       1.135422  -0.1836460     0.9866216 5.462783       5.161927  
1 1 1 36 22 5  o 11.45376 2.567417  1.548192       0.6732137 1.135149       0.9206978 2.022750       0.9868799 -2.800251      5.134835  
1 1 1 36 22 6  f 9.462536 2.726076  0.7540545      0.8104513 0.5107029      1.089722  1.055265       1.212366  -1.380545      5.452152  
1 1 1 36 22 7  o 15.37146 2.932777  3.124711       0.9390149 2.437363       1.297994  3.879428       1.360118  -3.935201      5.865555  
1 1 1 36 22 8  o 7.646471 2.512936  -0.2298849     0.8336476 -0.3282819E-01 0.9548300 -0.8617631     1.709807  -0.9336171     5.025871  
1 1 1 36 23 0  o 5.997093 2.965228  -0.9340333     0.9133022 0.5934790      1.898598  -1.393916      1.041752  0.000000       0.000000  
1 1 1 36 23 1  o 13.66945 2.573349  2.379561       0.7595365 1.398397       1.187762  3.058347       0.9879283 -5.254601      5.146698  
1 1 1 36 23 2  o 7.048442 2.261800  -0.3372553     0.7045487 0.2489564E-01  0.9512931 -0.7772478     1.048558  0.8828259      4.523600  
1 1 1 36 23 3  o 9.379667 2.557183  0.7998226      0.7030451 0.3272627      0.9915806 1.277517       0.9969530 -2.362014      5.114367  
1 1 1 36 23 4  o 9.583060 2.613587  0.5753214      0.7666357 1.825492       1.193589  -0.3026122     1.000232  5.015543       5.227175  
1 1 1 36 23 5  o 9.565471 2.431313  0.8351415      0.6351703 1.688732       0.9608454 0.1726079      0.8465113 4.353922       4.862626  
1 1 1 36 23 6  o 10.56574 2.735858  1.090838       0.7528681 0.5240114      0.9368743 2.124157       1.264951  -4.342551      5.471717  
1 1 1 36 23 7  o 9.070549 2.773825  0.6442527      0.8746511 0.9054251      0.9876915 -0.3048297     1.882823  0.2533731      5.547651  
1 1 1 36 24 0  o 17.44518 3.702631  3.742844       1.008493  5.174723       2.023454  3.269603       1.163271  0.000000       0.000000  
1 1 1 36 24 1  o 7.691007 2.340309  0.3470001E-01  0.6796342 -0.5549834     0.9556038 0.6382692      0.9667896 -2.265988      4.680618  
1 1 1 36 24 2  o 11.97729 2.622670  1.734838       0.7004870 1.414947       0.9751468 2.075897       1.006892  -2.080873      5.245340  
1 1 1 36 24 3  o 11.62907 2.718905  1.604204       0.7813198 2.363040       1.109674  0.8581471      1.100291  4.177457       5.437809  
1 1 1 36 24 4  o 11.42476 2.415136  1.375724       0.7734914 2.888247       1.044007  -0.4648255     1.151664  8.192257       4.830271  
1 1 1 36 24 5  o 8.769055 2.409016  0.5561377      0.7138601 -1.046675      1.240998  1.348765       0.8726988 -3.734547      4.818033  
1 1 1 36 24 6  o 6.800344 2.245281  -0.4916923     0.7403945 -0.2303499     0.9189877 -0.9751130     1.249877  -0.1140442     4.490563  
1 1 1 36 25 0  o 8.441534 3.241395  1.103595       0.9947305 -2.191818      2.212368  1.938604       1.113647  0.000000       0.000000  
1 1 1 36 25 1  o 11.37699 2.822680  1.587651       0.7889755 1.676209       0.9999395 1.441580       1.284217  0.5934086      5.645359  
1 1 1 36 25 2  o 10.19255 2.648067  1.171788       0.7081705 1.148550       0.9877260 1.196369       1.015876  -0.1568937     5.296134  
1 1 1 36 25 3  o 12.73822 2.629268  2.002970       0.7125192 1.880029       1.014754  2.122529       1.000702  -0.8061905     5.258535  
1 1 1 36 25 4  o 7.684858 2.421861  -0.8857790E-01 0.7442389 -0.3928334     0.9649901 0.3580644      1.169186  -1.840593      4.843722  
1 1 1 36 25 5  o 8.068328 2.446444  0.2551717      0.7486517 -0.5530322     1.138276  0.8713121      0.9938636 -2.147440      4.892889  
1 1 1 36 25 6  o 7.647324 2.587328  -0.8762802     1.028281  -0.8125549     1.226622  -1.026940      1.886048  -1.381293      5.174656  
1 1 1 36 26 0  o 7.502427 3.477928  0.3812124      1.263837  -0.3350998     2.118594  0.7769548      1.574718  0.000000       0.000000  
1 1 1 36 26 1  o 7.913854 2.380835  -0.5952679E-01 0.7296827 0.9555286      1.026429  -1.096627      1.037515  3.484930       4.761670  
1 1 1 36 26 2  o 9.189738 2.645361  0.7362608      0.7650203 0.5395185      1.173941  0.8814837      1.008591  -0.4278145     5.290723  
1 1 1 36 26 3  o 10.89894 2.711782  1.474064       0.7375929 1.271980       1.037376  1.680681       1.048948  -1.156536      5.423563  
1 1 1 36 26 4  o 10.26530 2.611339  1.205734       0.7303712 0.4860596      1.013650  1.982801       1.053292  -3.923068      5.222678  
1 1 1 36 26 5  o 8.603918 2.796541  -0.1248770E-01 0.9156418 -0.1922090     1.037263  0.6219056      1.948806  -2.847862      5.593081  
1 1 1 36 27 0  o 7.215733 3.305254  0.5772309      0.9639466 0.4660166      2.018956  0.6100684      1.097064  0.000000       0.000000  
1 1 1 36 27 1  o 10.44038 2.711381  1.211832       0.7791428 2.071995       1.165131  0.5160352      1.047915  3.930182       5.422761  
1 1 1 36 27 2  o 8.343522 2.508276  0.4171503      0.7520092 0.8661046      1.039239  -0.7632214E-01 1.089547  1.678316       5.016551  
1 1 1 36 27 3  o 7.385053 2.358581  -0.1042752     0.7471875 -0.3270066     1.047416  0.1265162      1.066200  -0.7557158     4.717163  
1 1 1 36 28 0  o 7.126158 3.310604  0.4662752      1.013254  0.6185293      2.019670  0.4150638      1.171330  0.000000       0.000000  
1 1 1 36 28 1  o 10.51196 2.863308  1.268018       0.8804187 0.6135342      1.198457  2.035324       1.297650  -3.188459      5.726616  
1 1 1 37 0  1  o 19.79711 3.478110  4.881236       1.251471  7.342081       1.832648  2.730998       1.713090  0.000000       0.000000  
1 1 1 37 0  2  o 10.41090 3.563515  0.6361376      0.8808179 -0.2263396     1.001371  3.585167       1.851658  0.000000       0.000000  
1 1 1 37 0  3  o 8.541144 3.234754  -0.3624200     1.149815  2.502521       1.496151  -4.495649      1.797060  0.000000       0.000000  
1 1 1 37 0  4  o 19.92527 3.640814  5.045572       1.245703  5.710580       1.645021  4.151586       1.907319  0.000000       0.000000  
1 1 1 37 0  5  o 20.74640 3.989691  6.098544       1.304328  6.632358       1.520245  4.609441       2.539106  0.000000       0.000000  
1 1 1 37 0  6  o 14.97118 3.490588  2.655297       0.6503890 2.563287       0.6856579 3.481274       2.054345  0.000000       0.000000  
1 1 1 37 0  7  o 15.87566 3.216409  3.767982       0.6357039 3.915557       0.6768547 2.663837       1.851406  0.000000       0.000000  
1 1 1 37 0  8  o 10.06036 4.123270  1.288800       1.635696  -1.835318      2.751238  2.996792       2.034264  0.000000       0.000000  
1 1 1 37 0  9  o 11.10278 4.337261  2.289351       1.492031  1.092139       2.559823  2.905359       1.836189  0.000000       0.000000  
1 1 1 37 0  10 o 7.454910 3.624848  -0.4280631     1.642507  -1.591324      2.909890  0.1158676      1.989802  0.000000       0.000000  
1 1 1 37 0  11 o 8.409873 5.687109  0.2192207      2.708046  0.2192207      2.708046  0.2192207      2.708046  0.000000       0.000000  
1 1 1 37 0  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 37 1  0  o 32.20993 2.763838  10.10443       1.361685  12.76215       3.244806  9.536349       1.500173  0.000000       0.000000  
1 1 1 37 1  1  o 9.823809 2.823691  0.5625656      0.8701180 0.7138706      1.226059  0.4090317      1.235056  0.6052542      5.647381  
1 1 1 37 1  2  o 7.809874 2.586082  -1.102389      0.9298491 -0.6356387     1.628309  -1.328249      1.132700  2.521525       5.172163  
1 1 1 37 1  3  o 10.79059 2.808897  1.083948       0.8002700 0.9688066      1.141991  1.195051       1.121785  -0.5466013     5.617794  
1 1 1 37 1  4  o 14.80903 2.777985  2.460949       0.8379999 2.264547       1.176756  2.663030       1.193647  -1.198724      5.555970  
1 1 1 37 1  5  o 9.840035 2.459633  0.5707006      0.6137224 1.883619       1.109241  -0.8523052E-02 0.7367667 6.064945       4.919266  
1 1 1 37 1  6  o 11.38540 2.463349  1.451531       0.5685257 1.299763       1.159249  1.499594       0.6523659 -0.4974461     4.926697  
1 1 1 37 1  7  o 10.96363 1.998047  1.337494       0.4402959 1.274599       0.6025307 1.409564       0.6449795 -0.5290537     3.996094  
1 1 1 37 1  8  f 13.93006 2.767637  1.461909       1.211488  5.079382       1.664564  -2.612596      1.766588  13.13626       5.535273  
1 1 1 37 1  9  o 12.28035 3.300563  1.749349       1.143684  2.230760       1.575095  1.212486       1.663337  1.997245       6.601127  
1 1 1 37 1  10 o 13.43264 3.087936  2.015411       1.152334  4.169324       1.642659  -0.7157435E-01 1.616937  8.637343       6.175871  
1 1 1 37 1  11 o 13.93054 4.219844  2.790663       2.150724  1.291646       2.966470  4.451740       3.122709  -3.459047      8.439688  
1 1 1 37 1  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 37 2  0  o 11.07385 4.392379  1.786464       1.202324  1.853314       3.042830  1.774095       1.308831  0.000000       0.000000  
1 1 1 37 2  1  o 8.011077 2.522629  -0.5694065     0.8683593 0.3377921      1.176883  -1.653504      1.286519  2.386158       5.045257  
1 1 1 37 2  2  o 8.820131 2.750559  -0.6293774     0.9420998 0.7593152      1.568195  -1.413591      1.178459  4.361218       5.501118  
1 1 1 37 2  3  f 9.633820 2.682422  0.6609369      0.7640499 0.8299106      1.081266  0.4924224      1.079795  0.7992277      5.364844  
1 1 1 37 2  4  o 20.24965 1.893276  4.609891       0.6420953 3.659569       1.189676  5.000507       0.7627259 -3.862938      3.786552  
1 1 1 37 2  5  o 16.96495 2.155499  3.581419       0.6456780 1.899224       1.071970  4.539202       0.8088685 -8.101131      4.310999  
1 1 1 37 2  6  o 12.02432 2.786383  1.408172       0.5884075 1.948649       1.634959  1.327753       0.6306658 2.163958       5.572765  
1 1 1 37 2  7  o 12.78149 1.766186  1.817740       0.4343965 2.157465       0.5826881 1.392702       0.6517569 3.254629       3.532372  
1 1 1 37 2  8  o 8.942360 2.875543  -0.3260779     1.109198  -0.3643757     1.451760  -0.2723684     1.719227  -0.7974768     5.751085  
1 1 1 37 2  9  o 9.950478 2.985695  0.4588548      1.067740  -0.3491587     1.481553  1.332080       1.540178  -2.780781      5.971390  
1 1 1 37 2  10 o 10.44712 3.147057  0.7827251      1.187346  1.411378       1.604146  0.2099438E-01  1.765791  1.832155       6.294114  
1 1 1 37 2  11 o 11.92443 3.889451  0.9235330      2.164250  0.9012297      2.953987  0.9493781      3.179906  -0.2165117     7.778902  
1 1 1 37 3  0  o 9.094585 4.002982  0.5556366      1.151568  2.055742       2.563487  0.1763856      1.288942  0.000000       0.000000  
1 1 1 37 3  1  o 10.45715 2.749164  0.5321215      0.8819112 -0.7627446     1.213748  1.980325       1.283603  -5.837126      5.498328  
1 1 1 37 3  2  o 10.77400 2.968858  0.4979343      0.9447053 1.955582       1.581416  -0.3108807     1.177997  5.449585       5.937716  
1 1 1 37 3  3  o 7.514040 2.246013  0.1558991      0.5619096 -0.3998649     1.052970  0.3771821      0.6644233 -0.1241670     4.492026  
1 1 1 37 3  4  o 7.218036 2.244720  -0.7572484E-01 0.5889175 -0.3901404     1.087565  0.5471785E-01  0.7005082 0.7470856      4.489440  
1 1 1 37 3  5  o 12.64958 2.443543  1.704827       0.6006047 2.138476       1.078550  1.509912       0.7230937 1.983257       4.887087  
1 1 1 37 3  6  o 11.05883 2.673432  1.338027       0.6093879 0.7482859      1.622658  1.434860       0.6575165 -0.6000834     5.346863  
1 1 1 37 3  7  o 9.408300 2.344208  0.5002735      0.5167747 1.822468       1.053264  0.8106814E-01  0.5930657 6.170450       4.688415  
1 1 1 37 3  8  o 15.76655 3.664476  3.338994       1.352507  2.879405       1.981097  3.740200       1.850993  -2.008502      7.328952  
1 1 1 37 3  9  o 10.97858 3.102744  0.8390519      1.093848  -0.2774057     1.451170  2.307997       1.664562  -4.846672      6.205488  
1 1 1 37 3  10 o 12.80050 3.396462  2.138225       1.201645  2.551298       1.605830  1.612590       1.811457  1.860821       6.792925  
1 1 1 37 3  11 o 14.15892 4.106590  3.161786       1.900460  4.159550       2.668335  2.134589       2.707404  2.707332       8.213181  
1 1 1 37 4  0  o 12.68386 4.517999  1.859387       1.225737  4.475188       2.656175  1.151629       1.381646  0.000000       0.000000  
1 1 1 37 4  1  o 10.21688 2.854186  0.6613544      0.8738939 0.1840299      1.167096  1.270503       1.318443  -2.707343      5.708373  
1 1 1 37 4  2  o 7.635214 2.354500  0.3184343E-01  0.6079665 -0.3791222     1.241733  0.1614223      0.6972567 1.071099       4.709000  
1 1 1 37 4  3  o 7.661673 2.282732  0.1801139      0.5779718 -0.5702506     1.137505  0.4412544      0.6710494 -0.2691846     4.565464  
1 1 1 37 4  4  o 8.516967 2.426964  0.3589467      0.6083865 0.7534652      1.051359  0.1603336      0.7459700 2.454273       4.853928  
1 1 1 37 4  5  o 13.54181 2.432921  2.026289       0.6315449 2.237778       1.101193  1.922634       0.7709298 0.7465830      4.865842  
1 1 1 37 4  6  o 6.008799 2.008234  -0.6362562     0.5623124 -1.211552      1.127517  -0.4457990     0.6487487 1.069622       4.016468  
1 1 1 37 4  7  o 12.54708 2.365033  1.854211       0.5747344 1.542452       1.096253  1.972382       0.6749266 -1.760674      4.730067  
1 1 1 37 4  8  o 9.119472 3.007830  -0.8158163     1.325306  -1.007670      2.115566  -0.6918900     1.700291  0.6516876      6.015659  
1 1 1 37 4  9  o 8.554787 2.769305  -0.5549332     1.089029  0.3034682      1.540572  -1.412329      1.539669  1.991559       5.538610  
1 1 1 37 4  10 o 10.30229 3.148108  0.7281385      1.190350  0.9713168      1.672220  0.4783410      1.694827  0.6876783      6.296216  
1 1 1 37 4  11 o 10.34373 3.500539  -0.8431474     2.056542  -1.349451      2.860174  -0.3012038     2.959130  -0.8060875     7.001078  
1 1 1 37 5  0  o 7.398564 3.241578  -0.2775775     1.226891  -6.256052      2.592170  1.448359       1.392774  0.000000       0.000000  
1 1 1 37 5  1  o 7.208926 2.298641  -0.6004835     0.6288132 0.2969404      1.197278  -0.9423168     0.7389304 3.927855       4.597281  
1 1 1 37 5  2  o 11.37235 2.684383  1.252271       0.6402316 1.605925       1.304306  1.140013       0.7348523 2.038101       5.368766  
1 1 1 37 5  3  o 12.68540 2.588136  1.816942       0.6581245 1.427351       1.293690  1.952969       0.7644320 -1.481410      5.176272  
1 1 1 37 5  4  o 10.47505 2.531667  1.130056       0.6201625 1.031926       1.063068  1.180681       0.7635530 -0.2487946E-01 5.063334  
1 1 1 37 5  5  o 10.11407 2.362727  0.4765835      0.5984868 2.310954       1.112378  -0.2707404     0.7100084 7.999118       4.725454  
1 1 1 37 5  6  o 17.86164 1.977129  3.369179       0.6045857 3.651632       1.185431  3.269880       0.7028705 0.1858845      3.954258  
1 1 1 37 5  7  o 11.93707 2.384064  1.606350       0.5638340 1.630247       1.029266  1.596104       0.6739523 -0.5257130E-01 4.768129  
1 1 1 37 5  8  o 9.792826 2.927251  0.3486184      1.100327  -2.330621      2.097779  1.365500       1.292377  -2.864133      5.854502  
1 1 1 37 5  9  o 10.91016 3.172658  1.011483       1.143925  1.801921       1.646192  0.2733990      1.590741  2.657714       6.345316  
1 1 1 37 5  10 o 8.719197 2.875106  -0.7068557     1.212100  -1.302368      1.607339  0.7827920E-01  1.845586  -1.946379      5.750211  
1 1 1 37 5  11 o 12.77660 3.976389  2.251874       2.003660  1.232605       2.811496  3.303847       2.856242  -2.162974      7.952777  
1 1 1 37 6  0  o 7.024458 3.477265  -0.1749287     0.7546760 0.1474287      2.915927  -0.1980715     0.7812965 0.000000       0.000000  
1 1 1 37 6  1  o 10.53192 2.629216  1.089137       0.6580969 0.9977022      1.195995  1.128844       0.7881405 0.3285265      5.258431  
1 1 1 37 6  2  o 13.23897 2.713211  1.887434       0.7239850 2.100599       1.281659  1.787539       0.8773745 0.9813805      5.426423  
1 1 1 37 6  3  o 10.00648 2.423260  1.021808       0.6168470 0.1693923      1.111418  1.401269       0.7415415 -2.684275      4.846519  
1 1 1 37 6  4  o 14.13690 2.350114  2.333036       0.6543052 1.637603       1.108307  2.705086       0.8106497 -3.921583      4.700228  
1 1 1 37 6  5  o 8.187010 2.372837  0.3849007      0.5810164 0.3819430      1.057127  0.3861808      0.6954817 1.141059       4.745674  
1 1 1 37 6  6  f 17.34987 2.069187  3.225195       0.6245595 3.453054       1.191885  3.138945       0.7332988 -0.1449966E-01 4.138374  
1 1 1 37 6  7  o 17.39573 2.134892  3.044888       0.6108060 3.905056       1.318264  2.809740       0.6892573 1.940863       4.269783  
1 1 1 37 6  8  o 8.770811 2.901477  -0.6564139     1.068725  -0.3687964     2.202755  -0.7449617     1.222215  2.872140       5.802955  
1 1 1 37 6  9  o 17.64327 3.279264  4.120509       1.175867  4.412352       1.656667  3.824213       1.669259  1.535389       6.558529  
1 1 1 37 6  10 o 10.49384 3.163654  0.9002199      1.176112  1.239077       1.638558  0.5401184      1.689141  1.011029       6.327309  
1 1 1 37 6  11 o 9.907274 3.375417  -0.9455705     1.981277  -0.9015744     2.870462  -0.9856032     2.738118  0.2129946      6.750834  
1 1 1 37 7  0  o 13.30464 3.171913  3.062928       0.8361778 -1.200231      3.098600  3.397766       0.8683949 0.000000       0.000000  
1 1 1 37 7  1  o 12.51770 2.280419  1.716966       0.5790674 1.427535       0.8188718 2.006472       0.8189782 -2.101476      4.560837  
1 1 1 37 7  2  o 13.47877 2.685898  2.082979       0.7661068 1.498228       1.252375  2.432641       0.9684414 -2.822925      5.371796  
1 1 1 37 7  3  o 11.38098 2.703330  1.469556       0.7078978 -0.3707672     1.846853  1.786498       0.7664350 -2.798725      5.406659  
1 1 1 37 7  4  o 10.32438 2.497298  1.137130       0.6443232 0.4695593      1.113434  1.473231       0.7900438 -2.349229      4.994596  
1 1 1 37 7  5  o 10.33953 2.407631  1.196679       0.5871223 0.6173621      1.067875  1.447669       0.7028935 -2.095748      4.815263  
1 1 1 37 7  6  o 15.48166 2.541213  2.685173       0.6624667 2.813973       1.466090  2.652128       0.7426016 -0.7839718     5.082427  
1 1 1 37 7  7  o 10.69894 3.151259  0.7334428      0.6340139 1.510804       2.506457  0.6803033      0.6553259 4.617936       6.302519  
1 1 1 37 7  8  o 13.18124 3.306215  2.086394       1.096565  2.710633       1.653188  1.595979       1.465309  2.567118       6.612430  
1 1 1 37 7  9  o 10.10240 3.024126  0.7445710      1.057097  0.9901255      1.525882  0.5179588      1.465847  0.8993320      6.048252  
1 1 1 37 7  10 o 8.158639 2.705823  -0.7856692     1.118653  -0.7534968     1.532734  -0.8223396     1.636374  -0.1888390     5.411646  
1 1 1 37 7  11 o 12.01394 3.756240  1.680589       1.920715  3.576039       2.576628  -0.6898905     2.881467  3.912380       7.512479  
1 1 1 37 8  0  o 6.627390 3.037232  0.2817005      0.7865644 -1.653269      2.228351  0.5571020      0.8406782 0.000000       0.000000  
1 1 1 37 8  1  o 12.87640 2.249170  1.836534       0.5795193 2.114031       0.7868125 1.507491       0.8567784 2.221581       4.498340  
1 1 1 37 8  2  o 21.34659 1.467445  4.700202       0.6215525 5.062892       0.8511389 4.285789       0.9098068 1.854181       2.934891  
1 1 1 37 8  3  o 10.15510 2.515323  1.043873       0.6320222 0.8271588      0.9932407 1.191328       0.8192945 -0.8092690     5.030646  
1 1 1 37 8  4  o 17.39278 2.025744  2.950519       0.6571714 4.566566       1.158121  2.183032       0.7981092 6.656686       4.051489  
1 1 1 37 8  5  o 8.925587 2.266238  0.6543611      0.6177580 -0.8455688     1.093854  1.356799       0.7485621 -4.165786      4.532476  
1 1 1 37 8  6  o 15.42095 2.375458  2.412437       0.6405935 3.472594       1.285111  2.061918       0.7389430 3.554047       4.750916  
1 1 1 37 8  7  o 10.41788 2.999852  0.8509848      0.9847195 0.5500203      1.344570  1.199158       1.446183  -1.438660      5.999704  
1 1 1 37 8  8  o 11.40606 3.186673  1.228634       1.131156  0.2839727      1.657214  2.052654       1.547779  -3.074857      6.373345  
1 1 1 37 8  9  o 11.43416 3.516214  0.9593554      1.373483  1.845102       2.558849  0.6008852      1.627857  2.704586       7.032427  
1 1 1 37 8  10 o 9.471201 3.109555  -0.3462726     1.386252  -2.152942      2.675404  0.3167921      1.620795  -0.2135229     6.219110  
1 1 1 37 8  11 o 15.97622 4.200467  4.889251       1.803954  4.303192       2.505242  5.520354       2.599733  -1.865381      8.400933  
1 1 1 37 9  0  o 17.48545 3.676710  4.656850       0.9041914 2.986426       2.433954  4.924285       0.9738858 0.000000       0.000000  
1 1 1 37 9  1  o 14.35483 2.523463  2.349071       0.6773124 2.471582       0.7989785 2.036165       1.276890  1.679087       5.046926  
1 1 1 37 9  2  o 10.96414 2.567818  1.259532       0.6471069 1.189613       0.8389855 1.362208       1.016703  -0.7388611     5.135636  
1 1 1 37 9  3  o 7.284380 2.155635  -0.6855442E-01 0.5746446 -0.7660345     0.8050892 0.6558290      0.8204694 -3.038151      4.311271  
1 1 1 37 9  4  o 12.35655 2.314103  1.721705       0.5831460 1.907658       0.8317269 1.541912       0.8178347 1.318808       4.628207  
1 1 1 37 9  5  o 10.08779 2.512868  0.9198712      0.6313088 1.650099       1.033990  0.4858721      0.7971342 3.798019       5.025735  
1 1 1 37 9  6  f 19.55235 1.857079  3.349962       0.6502119 5.994552       1.338309  2.532838       0.7439117 8.105921       3.714158  
1 1 1 37 9  7  o 12.50276 3.122735  1.834761       1.001409  2.399282       1.387189  1.220405       1.447124  2.766136       6.245471  
1 1 1 37 9  8  o 9.942497 3.019467  0.3530313      1.096847  1.272915       1.661227  -0.3579314     1.460448  2.882045       6.038933  
1 1 1 37 9  9  o 11.92412 3.194494  1.470158       1.116175  2.811639       1.653714  0.3476855      1.512712  4.883915       6.388989  
1 1 1 37 9  10 f 13.56221 3.709064  2.596549       1.422287  1.831274       2.769147  2.870774       1.657642  -1.648256      7.418128  
1 1 1 37 9  11 o 9.615288 3.276072  -0.8787575     1.836551  -1.313071      2.418103  -0.2867103     2.823263  -1.187308      6.552145  
1 1 1 37 10 0  o 6.145828 3.102842  -0.7856535     0.8933854 -0.7087012     2.500083  -0.7969182     0.9565424 0.000000       0.000000  
1 1 1 37 10 1  o 12.23326 2.665003  1.689101       0.7187686 1.902708       0.9010595 1.315370       1.191861  1.661101       5.330007  
1 1 1 37 10 2  o 9.706829 2.507015  0.8974084      0.6296628 0.8782551      0.8336073 0.9228545      0.9608403 -0.3824177     5.014030  
1 1 1 37 10 3  o 12.20302 2.089483  1.608181       0.5789250 2.712246       0.8200079 0.5110043      0.8174454 7.683444       4.178966  
1 1 1 37 10 4  o 15.40102 1.998792  2.579375       0.5972037 2.051367       0.8301991 3.145602       0.8597217 -3.756405      3.997585  
1 1 1 37 10 5  o 7.568932 2.208718  0.2901662      0.5438748 0.1426149      0.8085284 0.4121092      0.7350251 -0.4184504     4.417436  
1 1 1 37 10 6  o 7.778776 2.295139  -0.6399336E-01 0.6125368 0.9095988      1.003016  -0.6430520     0.7735360 4.050281       4.590279  
1 1 1 37 10 7  o 15.14496 3.041075  2.778850       0.7911568 2.806090       0.8465355 2.590851       2.223926  2.012829       6.082150  
1 1 1 37 10 8  f 18.40661 3.061933  4.282888       1.108369  4.427705       1.613757  4.153572       1.524952  0.4896297      6.123865  
1 1 1 37 10 9  o 10.62916 2.992455  0.6755545      1.129032  2.383394       1.524269  -1.400392      1.680530  5.505199       5.984909  
1 1 1 37 10 10 o 12.99760 3.727607  2.307001       1.491242  2.516937       1.790478  1.831592       2.694385  0.8437109      7.455215  
1 1 1 37 10 11 o 9.914736 4.732319  0.000000       0.000000  ?              ?         -0.3799471     2.598566  ?              ?         
1 1 1 37 11 0  o 19.09382 3.808411  4.606099       0.9420954 4.863077       2.473346  4.562489       1.018904  0.000000       0.000000  
1 1 1 37 11 1  o 13.12010 2.918672  1.999271       0.7913122 2.121558       0.8917075 1.546088       1.716599  1.271329       5.837344  
1 1 1 37 11 2  o 8.977746 2.361498  0.6586075      0.6203159 1.197246       0.7988493 -0.1594247     0.9844679 2.997788       4.722997  
1 1 1 37 11 3  o 7.951969 2.269543  0.2220974      0.5979839 -0.3988189     0.8400766 0.8598515      0.8513908 -2.960770      4.539085  
1 1 1 37 11 4  o 15.87675 2.232886  2.793009       0.6772045 3.045415       1.048217  2.612185       0.8872158 1.089126       4.465772  
1 1 1 37 11 5  o 8.902088 2.491739  0.4644490      0.6504705 0.7540979E-01  0.8135219 1.154030       1.083091  -3.342000      4.983478  
1 1 1 37 11 6  o 6.667821 2.099036  -0.2305863     0.5708124 0.1094226      0.8371838 -0.5259710     0.7803146 1.421028       4.198072  
1 1 1 37 11 7  o 7.644068 2.505786  -0.5515056     0.8111566 -0.6399986     0.9551640 -0.3225958     1.536228  -2.284315      5.011572  
1 1 1 37 11 8  o 9.845075 2.861775  0.8330646      0.8870627 1.024457       1.073322  0.4206123      1.575630  0.2347660      5.723549  
1 1 1 37 11 9  o 11.44726 3.184296  1.343287       0.9405774 1.063974       1.077617  2.236739       1.927322  -2.927599      6.368592  
1 1 1 37 11 10 o 11.52665 4.069714  1.701175       1.172780  1.701175       1.172780  ?              ?         ?              ?         
1 1 1 37 12 0  o 17.82884 3.727030  2.852257       0.9093174 6.857168       2.404347  2.183813       0.9822759 0.000000       0.000000  
1 1 1 37 12 1  o 13.23542 2.325707  1.979244       0.6196960 1.580007       0.8710076 2.388490       0.8818581 -2.810951      4.651414  
1 1 1 37 12 2  o 9.287478 2.536436  0.6902211      0.7002502 0.7462598E-01  1.092168  1.119923       0.9124845 -2.062330      5.072871  
1 1 1 37 12 3  o 15.37308 2.087826  2.695680       0.6147904 3.423793       0.8359481 1.837927       0.9073210 5.411110       4.175652  
1 1 1 37 12 4  o 16.34228 1.954084  2.904738       0.6231089 3.143577       0.8808578 2.665518       0.8815607 1.708502       3.908167  
1 1 1 37 12 5  o 6.469200 2.101658  -0.7047287     0.6647514 0.2902915E-01  0.8420751 -1.918233      1.082917  1.560173       4.203316  
1 1 1 37 12 6  o 6.190600 1.994941  -0.3158482     0.5271449 -0.4187758     0.8851819 -0.2592857     0.6561921 0.7401214      3.989882  
1 1 1 37 12 7  o 9.326964 2.603575  0.5753438      0.8319683 1.419901       0.9890503 -1.468284      1.538526  3.549147       5.207150  
1 1 1 37 12 8  o 20.71021 2.510189  5.021384       1.018773  4.792612       1.398591  5.279990       1.486993  -1.280188      5.020378  
1 1 1 37 12 9  o 9.178267 2.911763  0.2156804      0.9737170 0.2200147      1.115345  0.2017910      1.996603  -1.804370      5.823526  
1 1 1 37 12 10 o 6.266352 2.990587  -0.9022576     1.036981  -0.9022576     1.036981  ?              ?         ?              ?         
1 1 1 37 13 0  o 9.046513 3.826598  0.7537515      0.8901085 2.397864       2.281178  0.4584721      0.9667405 0.000000       0.000000  
1 1 1 37 13 1  o 7.007310 2.200182  -0.1799018     0.6173280 -0.3461824     0.8648463 -0.7171970E-02 0.8814580 -0.6948462     4.400364  
1 1 1 37 13 2  o 9.586515 2.500539  0.8835824      0.6390207 0.6838043      0.9100594 1.077882       0.8974949 -1.103955      5.001077  
1 1 1 37 13 3  o 8.971896 2.449719  0.5372618      0.6962641 -0.4559839     1.078041  1.248093       0.9119904 -3.363253      4.899437  
1 1 1 37 13 4  o 9.955154 2.474893  1.015186       0.6269760 1.382459       0.8798430 0.6362745      0.8936746 2.233039       4.949786  
1 1 1 37 13 5  o 13.36575 2.390736  1.969798       0.6321525 2.586293       1.016364  1.580834       0.8073080 3.214996       4.781472  
1 1 1 37 13 6  o 7.070067 2.202016  -0.1627705     0.6214781 -0.6106398     0.8682923 0.3076794      0.8899118 -1.765539      4.404032  
1 1 1 37 13 7  o 16.46233 2.584848  3.477310       0.7730133 3.825135       0.9077595 2.559592       1.474501  4.869856       5.169696  
1 1 1 37 13 8  o 11.56148 2.841962  1.631033       0.7988872 1.757174       0.9903793 1.396069       1.351680  0.8922558      5.683924  
1 1 1 37 13 9  o 8.729219 2.789407  0.1565803E-01  0.9912308 0.5037053      1.117928  -1.778811      2.143635  0.2071390      5.578815  
1 1 1 37 13 10 o 9.360808 4.043233  0.7009547      1.384204  0.7009547      1.384204  ?              ?         ?              ?         
1 1 1 37 14 0  o 6.723893 3.262713  -0.1889026     0.9608225 -0.2827702     2.458419  -0.1719795     1.043847  0.000000       0.000000  
1 1 1 37 14 1  o 8.662026 2.396476  0.5682763      0.6155192 0.8787258      0.8633179 0.2473133      0.8778144 1.612384       4.792951  
1 1 1 37 14 2  o 7.034760 2.178032  -0.2438639     0.6169780 0.4013653      0.8805910 -0.8660203     0.8647032 2.352312       4.356064  
1 1 1 37 14 3  o 15.02714 2.369958  2.740765       0.7019258 1.754341       1.137427  3.347491       0.8920469 -5.483948      4.739915  
1 1 1 37 14 4  o 7.200851 2.245931  -0.2250706     0.6345525 -0.6195661     0.8322209 0.3227991      0.9807452 -2.283092      4.491862  
1 1 1 37 14 5  o 11.37943 2.442878  1.459327       0.6411695 2.107983       0.9104916 0.8212228      0.9030552 4.172261       4.885755  
1 1 1 37 14 6  o 8.883886 2.351371  0.7525266      0.5609065 0.8510160      0.8385650 0.6727830      0.7545528 0.7090111      4.702742  
1 1 1 37 14 7  o 10.68938 2.822565  1.093658       0.7301003 0.8148421      0.8474729 1.896310       1.437905  -3.278605      5.645130  
1 1 1 37 14 8  o 9.236513 2.748988  0.5952484      0.8694180 0.8341554      1.142869  0.2670650      1.339493  0.6415300      5.497977  
1 1 1 37 14 9  o 9.743047 2.899555  -0.2607803     0.9324501 -1.297246      1.092765  2.514848       1.788257  -7.217964      5.799110  
1 1 1 37 14 10 o 8.301956 3.708061  0.1664742      1.261342  0.1664742      1.261342  ?              ?         ?              ?         
1 1 1 37 15 0  o 5.521963 2.760585  -0.7446913     0.8442148 -0.6356463     1.889555  -0.7718865     0.9436321 0.000000       0.000000  
1 1 1 37 15 1  o 9.944254 2.564699  1.004193       0.6686481 0.7981626      0.9925289 1.175402       0.9047744 -0.9323606     5.129397  
1 1 1 37 15 2  o 8.797588 2.253489  0.3646688      0.6257770 1.530031       0.8807072 -0.8235992     0.8893203 5.552237       4.506979  
1 1 1 37 15 3  o 10.99030 2.337216  1.316927       0.6194983 0.4544357      0.9013776 2.089036       0.8528415 -5.171663      4.674431  
1 1 1 37 15 4  o 6.448162 2.081738  -0.5443721     0.6083463 0.3579025E-01  0.8974522 -1.037577      0.8274661 1.969569       4.163476  
1 1 1 37 15 5  o 12.39492 2.477048  1.812767       0.6480589 2.076984       0.8929555 1.518732       0.9419971 1.938542       4.954096  
1 1 1 37 15 6  o 9.763144 2.474463  1.035949       0.6133385 0.8030826      0.9971455 1.177671       0.7779007 -0.8354292     4.948925  
1 1 1 37 15 7  o 13.94824 2.972554  2.468943       0.9639856 3.505492       1.357510  1.414576       1.369128  5.513782       5.945109  
1 1 1 37 15 8  o 12.65331 3.014882  2.012607       0.9074341 1.574185       1.213961  2.567784       1.366075  -2.540284      6.029763  
1 1 1 37 15 9  o 8.848227 3.856115  0.4444300      1.280612  0.4444300      1.280612  ?              ?         ?              ?         
1 1 1 37 16 0  o 8.017015 3.476638  0.3435168      0.8380291 2.005970       1.903927  -0.5595981E-01 0.9333002 0.000000       0.000000  
1 1 1 37 16 1  o 7.715623 2.263618  0.2741836      0.5807004 0.5174637      0.7483810 -0.9392556E-01 0.9205720 0.8140869      4.527236  
1 1 1 37 16 2  o 11.63252 2.594223  1.582441       0.6849301 1.840177       0.8577806 1.129009       1.137745  2.085352       5.188446  
1 1 1 37 16 3  o 13.49220 2.434495  2.069373       0.6620614 1.636828       0.8830124 2.624744       1.000558  -3.194116      4.868990  
1 1 1 37 16 4  o 10.10469 2.367281  1.003714       0.6177204 1.837696       0.8911154 0.2322629      0.8570569 4.854032       4.734562  
1 1 1 37 16 5  o 16.98826 2.150463  3.375468       0.6867276 4.303386       0.9326382 2.276572       1.014931  6.306640       4.300926  
1 1 1 37 16 6  o 7.941284 2.494288  0.2710388E-01  0.7230566 -0.3114090E-02 0.8535667 0.1038820      1.360579  -1.685218      4.988577  
1 1 1 37 16 7  o 8.203927 2.613745  -0.6258323     0.9887707 0.7787832      1.358081  -2.210259      1.442391  3.279431       5.227491  
1 1 1 37 16 8  o 8.657902 2.672621  0.1933108      0.9011273 0.7177601      1.140924  -0.6763842     1.469225  1.315232       5.345241  
1 1 1 37 16 9  o 8.165756 3.643190  0.1524263      1.214593  0.1524263      1.214593  ?              ?         ?              ?         
1 1 1 37 17 0  o 5.569381 3.626785  0.8276907E-01  0.9457732 0.8276907E-01  0.9457732 0.8276907E-01  0.9457732 0.000000       0.000000  
1 1 1 37 17 1  o 10.84212 2.596638  1.276608       0.7375237 0.3393314      1.149890  1.931650       0.9612957 -4.029100      5.193276  
1 1 1 37 17 2  o 8.624104 2.344513  0.5576982      0.6051012 -0.3283152E-02 0.8687027 1.086408       0.8433453 -2.764306      4.689026  
1 1 1 37 17 3  o 8.788071 2.430872  0.6346786      0.6266837 0.3809060      0.8759748 0.9007354      0.8969255 -1.411153      4.861744  
1 1 1 37 17 4  o 8.671783 2.451186  0.5875040      0.6432275 0.5351260      0.9103082 0.6397333      0.9090155 -0.2600088     4.902372  
1 1 1 37 17 5  o 8.767980 2.355297  0.6139446      0.6306598 -0.1974097     0.9509833 1.250892       0.8425959 -3.319685      4.710595  
1 1 1 37 17 6  o 8.496889 2.628811  0.1746303      0.7786009 0.4221561E-01  0.9257907 0.4946073      1.439144  -2.124543      5.257622  
1 1 1 37 17 7  o 13.42918 2.971110  2.350983       0.9062564 2.803005       1.253289  1.855614       1.312007  2.677610       5.942221  
1 1 1 37 17 8  o 10.65911 2.937481  1.142467       0.9344153 0.3842550      1.239766  2.139653       1.421780  -3.804649      5.874963  
1 1 1 37 17 9  o 15.12484 4.686084  3.393101       1.562574  3.393101       1.562574  ?              ?         ?              ?         
1 1 1 37 18 0  o 4.476597 2.331634  -1.944781      0.9234647 -4.020878      2.132227  -1.465448      1.024539  0.000000       0.000000  
1 1 1 37 18 1  o 7.177652 2.261299  -0.2096667     0.6682320 0.1589032      0.9392943 -0.5873671     0.9508573 1.232109       4.522597  
1 1 1 37 18 2  o 8.935523 2.471810  0.5689667      0.7063446 -0.4024982     1.123516  1.203899       0.9083006 -2.951918      4.943619  
1 1 1 37 18 3  f 7.608109 2.292789  0.1293045      0.6291820 -0.2537525     0.9072550 0.4842339      0.8733107 -1.410098      4.585578  
1 1 1 37 18 4  o 8.831410 2.335542  0.4670209      0.6536863 1.490345       0.9075618 -0.6361916     0.9423218 4.831093       4.671085  
1 1 1 37 18 5  f 9.764870 2.577099  0.9127094      0.6820536 1.490991       1.063534  0.5087278      0.8889203 2.878243       5.154198  
1 1 1 37 18 6  o 14.71438 2.999224  2.876189       0.8795301 2.987045       1.004138  2.510839       1.822926  2.460320       5.998448  
1 1 1 37 18 7  o 13.60167 2.949238  2.183909       0.8316050 1.760670       1.003268  3.113167       1.486594  -3.278565      5.898477  
1 1 1 37 18 8  o 10.90334 2.968002  1.512457       0.9374925 1.939808       1.281334  1.020148       1.375274  1.964623       5.936003  
1 1 1 37 19 0  o 7.086500 3.257298  -0.2262106     0.9315287 1.508754       1.818672  -0.8432673     1.084605  0.000000       0.000000  
1 1 1 37 19 1  o 10.80338 2.619911  1.317497       0.6801088 1.302639       0.9027694 1.336998       1.034212  -0.1833811     5.239821  
1 1 1 37 19 2  o 10.60060 2.616187  1.225083       0.6929742 1.632605       1.010646  0.8634780      0.9520077 2.294266       5.232373  
1 1 1 37 19 3  o 12.59318 2.358132  1.842270       0.6692929 2.939131       0.9549662 0.7833598      0.9383000 6.865355       4.716265  
1 1 1 37 19 4  o 9.908891 2.504095  1.085465       0.6284593 1.095686       0.9218741 1.076590       0.8590041 0.1247044      5.008190  
1 1 1 37 19 5  o 7.769829 2.363577  0.1778066      0.6754566 -0.3336941     1.101262  0.4862758      0.8552111 -0.7867837     4.727155  
1 1 1 37 19 6  o 8.855387 2.537270  0.5980856      0.7400470 1.068752       0.9169049 -0.2815383     1.253477  1.941405       5.074540  
1 1 1 37 19 7  o 8.662628 2.550076  0.4497056      0.7943176 1.099670       0.9956979 -0.6879321     1.317301  2.410132       5.100151  
1 1 1 37 19 8  o 8.169105 2.727193  -0.6598969     1.048264  -1.039968      1.253900  0.2223098      1.910362  -2.733770      5.454385  
1 1 1 37 20 0  o 11.72002 4.028670  2.027845       0.9809116 3.374856       1.970225  1.583921       1.131056  0.000000       0.000000  
1 1 1 37 20 1  o 11.74646 2.554496  1.642241       0.6603692 1.834528       0.9450275 1.458750       0.9231625 1.232221       5.108992  
1 1 1 37 20 2  o 8.419807 2.377399  0.3583457      0.6641015 -0.4404668     0.9399934 1.154404       0.9383714 -3.495423      4.754797  
1 1 1 37 20 3  o 11.34151 3.025202  1.357636       0.8832394 1.036908       1.066295  2.058734       1.576516  -2.721000      6.050403  
1 1 1 37 20 4  o 7.064121 2.247754  -0.2089807     0.6718895 0.3572660E-01  0.9021592 -0.5137618     1.006824  0.5336304      4.495508  
1 1 1 37 20 5  o 7.933249 2.424089  0.2083047      0.6944479 0.3483824      1.079086  0.1092769      0.9072978 0.9578271      4.848177  
1 1 1 37 20 6  o 10.39179 2.541143  0.7410826      0.8812595 2.537773       1.150243  -1.812429      1.371267  7.534005       5.082286  
1 1 1 37 20 7  o 7.570760 2.409627  -0.4003840E-01 0.7743227 0.3230169      0.9541816 -0.7402260     1.325110  0.5257416      4.819254  
1 1 1 37 21 0  f 7.437177 3.394336  0.1667777      1.031046  1.498828       1.886194  -0.4008490     1.231282  0.000000       0.000000  
1 1 1 37 21 1  o 8.023107 2.463654  -0.5969582E-02 0.7243158 0.7279493      1.183500  -0.4454919     0.9158716 2.912179       4.927309  
1 1 1 37 21 2  o 7.929504 2.400553  0.5627909E-01  0.7220283 0.7650039      0.9966556 -0.7265124     1.047440  2.528512       4.801106  
1 1 1 37 21 3  o 8.358327 2.445074  0.4724365      0.6673272 0.5274930      0.9350714 0.4152891      0.9526606 0.2088795      4.890148  
1 1 1 37 21 4  o 8.938431 2.461263  0.6940146      0.6761464 0.2305652E-01  1.029730  1.202569       0.8964875 -2.512233      4.922527  
1 1 1 37 21 5  o 8.405150 2.446812  0.4814642      0.6674125 0.7398536      0.9622338 0.2419060      0.9265072 1.222312       4.893625  
1 1 1 37 21 6  o 7.534610 2.415076  -0.1021582     0.7726840 0.3371770E-01  0.9695583 -0.3386679     1.279167  -0.3230333     4.830151  
1 1 1 37 21 7  o 8.886310 2.831752  0.2570835      0.8683213 0.1081287      0.9706441 0.8539390      1.942976  -2.815668      5.663504  
1 1 1 37 22 0  o 5.286042 2.639272  -0.8628464     0.9522380 -2.475649      1.999096  -0.3895145     1.082994  0.000000       0.000000  
1 1 1 37 22 1  o 10.65331 2.652224  1.319786       0.7303699 0.7921199      1.106267  1.727499       0.9724267 -2.468036      5.304449  
1 1 1 37 22 2  o 7.818691 2.427207  0.6744885E-01  0.7401493 0.3520822      0.9860292 -0.2999313     1.120224  0.7244015      4.854414  
1 1 1 37 22 3  o 12.28878 2.478309  1.831568       0.6643142 2.406944       0.9397717 1.256900       0.9391927 3.800363       4.956618  
1 1 1 37 22 4  o 8.298260 2.497949  0.3344479      0.7086186 0.5148085      1.150456  0.2241905      0.8995038 1.247547       4.995898  
1 1 1 37 22 5  o 8.051750 2.522330  0.1584979      0.7728689 0.1595790      0.9514911 0.1564015      1.325040  -0.9413838     5.044660  
1 1 1 37 22 6  o 9.334406 2.690598  0.6357236      0.7792792 0.6720834E-01  0.9643216 1.705788       1.322988  -3.908828      5.381196  
1 1 1 37 23 0  o 6.879771 3.242631  -0.1380703E-01 0.9416753 1.021253       1.965385  -0.3222230     1.072836  0.000000       0.000000  
1 1 1 37 23 1  o 7.337128 2.229102  -0.7567642     0.7092494 1.025709       1.020595  -2.421597      0.9863417 4.981842       4.458204  
1 1 1 37 23 2  o 15.27741 2.315742  2.757354       0.7045065 3.554419       0.9980553 1.965800       0.9945990 5.276593       4.631485  
1 1 1 37 23 3  o 11.50946 2.688522  1.611585       0.7421107 2.091953       1.041605  1.116367       1.057583  2.857635       5.377044  
1 1 1 37 23 4  o 9.229839 2.687811  0.7181235      0.7963319 0.3689682      1.045329  1.200963       1.229264  -2.027308      5.375621  
1 1 1 37 23 5  o 8.255983 2.538292  0.3801817      0.7373444 0.4234580      0.8777472 0.2764248      1.359106  -0.8073750     5.076584  
1 1 1 37 24 0  o 15.06416 4.303004  3.758909       1.255517  3.740722       2.091636  3.769152       1.569774  0.000000       0.000000  
1 1 1 37 24 1  f 7.606620 2.439573  -0.1756473     0.7929108 0.9913487E-01  0.9887449 -0.6707838     1.327249  0.1066809      4.879145  
1 1 1 37 24 2  o 8.445738 2.467624  0.5536016      0.6762346 0.5281060      0.9342965 0.5816537      0.9800216 -0.2228012     4.935248  
1 1 1 37 24 3  o 7.981644 2.420587  0.3540213      0.6922758 0.3137550      0.9651487 0.3966896      0.9935194 -0.2364039     4.841173  
1 1 1 37 24 4  f 9.059972 2.375011  0.2012580      0.7171786 -1.283867      0.9564736 2.108556       1.083929  -7.000733      4.750022  
1 1 1 37 25 0  o 5.469663 2.768013  -0.8778599     0.9250787 -0.6525275     2.064837  -0.9344460     1.034734  0.000000       0.000000  
1 1 1 37 25 1  o 8.668655 2.476654  0.5641329      0.7070805 -0.1367009     0.9935014 1.283500       1.006552  -3.083206      4.953307  
1 1 1 37 25 2  o 8.324240 2.476324  0.5206891      0.7009420 0.5380799      0.9700605 0.5016888      1.013960  -0.1586437E-01 4.952649  
1 1 1 37 25 3  o 7.755732 2.370697  0.1850850      0.7025436 0.6927951      0.9610589 -0.3975901     1.029569  1.795396       4.741394  
1 1 1 37 26 0  o 10.66185 3.710944  2.208713       1.030785  1.174471       2.181177  2.506113       1.169636  0.000000       0.000000  
1 1 1 37 26 1  o 10.66007 2.789839  1.445202       0.7903144 1.385732       1.179908  1.493594       1.064350  -0.2682362     5.579678  
1 1 1 38 0  0  o 13.19797 5.273826  2.076668       1.816142  4.538164       3.787966  1.341944       2.069515  0.000000       0.000000  
1 1 1 38 0  1  o 8.840806 3.844202  0.9523505      1.317666  1.430537       1.706542  0.2463818      2.073533  0.000000       0.000000  
1 1 1 38 0  2  o 9.644853 4.357643  0.6026803      1.442694  0.1049233      1.615476  2.563362       3.206235  0.000000       0.000000  
1 1 1 38 0  3  o 7.421480 3.361615  0.1883699      1.121436  -0.6139399     1.540021  1.094076       1.636249  0.000000       0.000000  
1 1 1 38 0  4  o 20.08619 3.308551  5.015342       1.154005  6.587652       1.644828  3.491104       1.619488  0.000000       0.000000  
1 1 1 38 0  5  o 9.154839 3.956524  1.148670       1.383447  1.693847       1.838058  0.4362069      2.101222  0.000000       0.000000  
1 1 1 38 0  6  o 13.62720 2.549000  3.768934       0.7732326 4.460957       0.8211182 -1.650461      2.297847  0.000000       0.000000  
1 1 1 38 0  7  o 11.00158 4.399492  1.723017       1.806109  -1.304693      2.825227  3.815544       2.348724  0.000000       0.000000  
1 1 1 38 0  8  o 8.082449 3.870513  0.9280336E-01  1.705989  -0.6282532     3.001393  0.4369449      2.073513  0.000000       0.000000  
1 1 1 38 0  9  o 9.823196 4.298638  1.603537       1.725475  0.3301775      2.698068  2.484722       2.244454  0.000000       0.000000  
1 1 1 38 0  10 o 8.741591 4.103748  0.8255797      1.767525  1.270240       2.859716  0.5507028      2.248423  0.000000       0.000000  
1 1 1 38 1  0  o 11.81003 4.239117  2.359949       1.234006  1.662805       2.589298  2.564823       1.403665  0.000000       0.000000  
1 1 1 38 1  1  o 9.149170 2.714791  0.1965063      0.8856469 -0.6291508     1.281525  0.9513657      1.225350  -2.610253      5.429582  
1 1 1 38 1  2  o 9.183822 2.714050  0.3347090      0.8559319 0.8504616      1.196831  -0.2052428     1.224587  1.906126       5.428100  
1 1 1 38 1  3  o 7.392260 2.373901  -0.4633607     0.7701832 -0.7633211     1.083309  -0.1567812     1.095196  -0.9399920     4.747802  
1 1 1 38 1  4  o 14.86158 2.904933  2.643540       0.8941039 2.454938       1.269007  2.829458       1.259949  -1.102609      5.809866  
1 1 1 38 1  5  o 14.61055 2.967124  2.560538       0.9079381 2.401343       1.211702  2.764355       1.371048  -0.8896255     5.934247  
1 1 1 38 1  6  o 8.489370 2.185673  0.6057692      0.5098050 1.113376       0.7376856 0.1416916      0.7053474 3.089679       4.371346  
1 1 1 38 1  7  o 17.63248 3.422773  4.057107       1.242840  3.933311       1.729107  4.189425       1.787635  -0.5237160     6.845546  
1 1 1 38 1  8  o 9.584002 3.014857  0.1195914      1.172725  -0.4675133     1.600390  0.8004162      1.723399  -1.907813      6.029714  
1 1 1 38 1  9  o 14.02183 3.343070  2.631688       1.197922  1.372009       1.694500  3.890229       1.693735  -5.474377      6.686139  
1 1 1 38 1  10 o 11.21550 3.311520  1.380677       1.267755  2.125046       1.791914  0.6347068      1.793840  2.313493       6.623041  
1 1 1 38 2  0  o 6.681979 3.252195  -0.5238755     1.224190  -2.153604      2.599207  -0.5930040E-01 1.387750  0.000000       0.000000  
1 1 1 38 2  1  o 11.33856 2.994867  1.280694       0.9101263 1.371478       1.343431  1.203683       1.237332  0.5494137      5.989734  
1 1 1 38 2  2  o 11.56669 3.477177  0.6347933      1.069516  0.3840575      1.167247  1.946815       2.670084  -4.973137      6.954354  
1 1 1 38 2  3  o 9.929789 2.712035  0.8658039      0.7737798 1.118496       1.023084  0.5280657      1.182786  1.075402       5.424071  
1 1 1 38 2  4  o 18.86030 1.972800  4.078142       0.6330386 3.322942       1.150263  4.406251       0.7581853 -3.619467      3.945600  
1 1 1 38 2  5  o 15.26244 2.908329  2.607464       0.9447032 1.531589       1.222228  4.204094       1.488929  -7.094475      5.816658  
1 1 1 38 2  6  o 13.81384 2.173910  2.400545       0.5856095 1.291610       1.014150  2.955267       0.7172771 -5.983622      4.347821  
1 1 1 38 2  7  o 13.92812 3.043722  1.728588       1.222596  -1.005045      1.677519  4.825678       1.785559  -11.07672      6.087445  
1 1 1 38 2  8  o 9.486062 2.994505  0.1230304      1.169777  0.5130486      1.621338  -0.3004143     1.689389  0.9126434      5.989010  
1 1 1 38 2  9  o 10.17488 3.115602  0.6933969      1.178753  1.003997       1.627605  0.3507857      1.709421  0.8281765      6.231205  
1 1 1 38 2  10 o 10.22743 3.185197  0.5341344      1.314536  -0.6072557     1.823059  1.770287       1.897229  -3.051494      6.370393  
1 1 1 38 3  0  o 7.401999 3.333528  0.1578657      1.181457  -2.538779      2.277789  1.150377       1.381877  0.000000       0.000000  
1 1 1 38 3  1  o 13.21496 2.970110  1.988305       0.8999779 2.553290       1.303459  1.473578       1.244135  2.974627       5.940220  
1 1 1 38 3  2  o 12.13586 2.975206  1.669471       1.052930  2.577907       1.165186  -2.375367      2.458660  5.476276       5.950413  
1 1 1 38 3  3  o 17.05325 2.316324  2.930406       0.6546800 3.834432       1.415470  2.684385       0.7384081 2.064447       4.632648  
1 1 1 38 3  4  o 17.35629 2.039143  3.197319       0.6336757 3.528351       1.164700  3.058128       0.7552378 0.5144749      4.078287  
1 1 1 38 3  5  o 12.20555 2.837823  1.701552       0.8082018 1.379646       1.110756  2.063712       1.178160  -1.976091      5.675646  
1 1 1 38 3  6  o 8.077482 2.361562  0.3149916      0.5906088 0.6402285      1.024624  0.1531613      0.7227606 2.090486       4.723125  
1 1 1 38 3  7  o 11.19411 3.199804  1.024119       1.168929  0.2210975E-02  1.669238  2.007477       1.637451  -3.361134      6.399609  
1 1 1 38 3  8  o 10.91081 3.093118  0.8255839      1.180679  2.382645       1.599982  -1.036047      1.749481  5.012819       6.186235  
1 1 1 38 3  9  o 12.69114 3.392666  2.020020       1.205152  1.239173       1.626662  2.970136       1.794333  -3.415380      6.785332  
1 1 1 38 3  10 o 10.29799 3.145008  0.6767328      1.263704  1.997784       1.771330  -0.6925797     1.803395  3.490559       6.290016  
1 1 1 38 4  0  o 7.713633 3.579065  0.2364792E-01  1.172971  1.128784       2.216192  -0.4064046     1.382484  0.000000       0.000000  
1 1 1 38 4  1  o 11.84257 2.968422  1.513952       0.8963958 1.095904       1.314479  1.877363       1.225576  -1.882030      5.936843  
1 1 1 38 4  2  o 13.13094 2.401201  2.231589       0.7317697 0.2517238      1.392879  2.986376       0.8600181 -7.387396      4.802402  
1 1 1 38 4  3  o 12.29905 2.565801  1.821685       0.6577265 1.185360       1.320463  2.031657       0.7585200 -2.485360      5.131602  
1 1 1 38 4  4  o 16.11979 2.095699  2.557287       0.6333908 4.075925       1.122637  1.848136       0.7671525 6.619298       4.191397  
1 1 1 38 4  5  o 10.00394 2.652775  0.7775982      0.7978941 1.692838       1.098189  -0.2457435     1.161234  4.217915       5.305550  
1 1 1 38 4  6  o 7.713159 2.329033  0.1409490      0.5890929 0.4619316      1.068202  0.6629615E-03  0.7061875 2.222782       4.658066  
1 1 1 38 4  7  o 8.869495 2.802260  -0.1003058     1.033433  -0.9306340     1.660319  0.4248254      1.320385  -0.9247084     5.604520  
1 1 1 38 4  8  o 11.91246 3.354066  1.617096       1.199360  1.306314       1.626736  1.987230       1.775287  -1.356125      6.708131  
1 1 1 38 4  9  o 10.22976 3.033410  0.7523611E-01  1.191457  -1.914648      1.628491  2.367308       1.747776  -5.881753      6.066820  
1 1 1 38 4  10 o 13.00412 3.678925  2.688277       1.498763  3.112042       1.796530  1.718168       2.718204  2.255758       7.357849  
1 1 1 38 5  0  o 7.653933 3.502102  0.3786016      1.192013  -0.5918765     2.253164  0.7557904      1.404686  0.000000       0.000000  
1 1 1 38 5  1  o 10.37558 2.821686  0.5807853      0.9054129 1.948972       1.364074  -0.4967209     1.210528  5.249032       5.643372  
1 1 1 38 5  2  o 11.67568 2.596253  0.9701630      0.7069596 2.964499       1.304723  0.1412699      0.8411404 8.314535       5.192506  
1 1 1 38 5  3  o 12.74201 3.090008  1.564735       0.7254291 2.453419       1.963326  1.424227       0.7806736 2.995502       6.180016  
1 1 1 38 5  4  o 9.380572 2.516097  0.8284677      0.6372186 0.5036134      1.137757  0.9769369      0.7691714 -0.4544048     5.032193  
1 1 1 38 5  5  o 7.975068 2.316162  0.4067168      0.5366554 -0.3045456E-01 1.145982  0.5295178      0.6073694 0.4438972      4.632324  
1 1 1 38 5  6  o 8.705050 2.495168  0.4699488      0.6172963 0.9154555      1.164862  0.2959848      0.7279088 2.616037       4.990337  
1 1 1 38 5  7  o 11.30406 3.207662  1.203238       1.050149  1.727645       1.825443  0.9438336      1.283874  2.148423       6.415325  
1 1 1 38 5  8  o 15.39360 3.492174  3.292799       1.252696  3.989254       1.728400  2.522122       1.818167  3.486951       6.984347  
1 1 1 38 5  9  o 8.851633 2.867140  -0.3395368     1.170499  0.3713177      1.529973  -1.342802      1.817612  1.243245       5.734281  
1 1 1 38 5  10 o 11.04303 3.447309  1.329310       1.471873  1.683222       1.712274  0.3276806      2.880573  0.6109571      6.894618  
1 1 1 38 6  0  o 10.43893 4.201864  1.365129       0.8302011 2.246237       3.264440  1.304201       0.8584253 0.000000       0.000000  
1 1 1 38 6  1  o 11.41653 2.946628  1.310680       0.9201800 0.5382019      1.365987  1.952446       1.245065  -3.105278      5.893256  
1 1 1 38 6  2  o 9.993212 2.714739  0.8990791      0.7500624 0.9645281      1.196837  0.8567474      0.9625345 0.7212896      5.429478  
1 1 1 38 6  3  o 17.17789 2.569540  3.935442       0.7373332 2.291706       1.568955  4.401371       0.8353233 -6.824230      5.139080  
1 1 1 38 6  4  o 8.992760 2.507147  0.6433859      0.6170530 0.6964449      1.157971  0.6223449      0.7292094 1.227344       5.014294  
1 1 1 38 6  5  o 9.000175 2.326323  0.8131722      0.5459281 0.4509837E-01  1.119279  1.052937       0.6253591 -1.536848      4.652645  
1 1 1 38 6  6  o 8.978321 2.482142  0.6999412      0.6539894 0.2321835      1.111758  0.9474486      0.8087118 -1.031501      4.964284  
1 1 1 38 6  7  o 12.21977 3.661368  1.434352       1.559826  0.9423363      2.220900  1.913321       2.191254  -1.302147      7.322735  
1 1 1 38 6  8  o 8.493958 2.785370  -0.7819394     1.158118  0.1600148      1.636392  -1.727201      1.639263  1.956430       5.570740  
1 1 1 38 6  9  o 10.21618 3.121950  0.6823003      1.175467  1.078937       1.691971  0.3122630      1.634253  1.225382       6.243901  
1 1 1 38 6  10 o 9.505537 3.164954  -0.4338028     1.433149  -1.241907      1.749906  1.212387       2.497589  -3.258048      6.329907  
1 1 1 38 7  0  o 9.753666 3.693086  1.509301       0.8457857 -0.9797390     3.358600  1.677836       0.8739511 0.000000       0.000000  
1 1 1 38 7  1  o 8.141647 2.551283  -0.1629005     0.7417498 -0.3667848     0.8743501 0.3605625      1.400995  -2.955985      5.102566  
1 1 1 38 7  2  o 14.15728 2.492801  2.312287       0.7047276 2.483674       0.9810211 2.129538       1.013020  1.210737       4.985602  
1 1 1 38 7  3  o 7.640082 2.353082  0.5763626E-01  0.6420279 -0.2196882E-01 1.117604  0.9684715E-01  0.7843699 0.9460721      4.706165  
1 1 1 38 7  4  o 7.240832 2.253666  -0.2897907E-01 0.6103446 -0.6375403     1.144477  0.2128858      0.7215083 0.6964636E-01  4.507331  
1 1 1 38 7  5  o 10.89359 2.741626  1.260291       0.7819279 0.6952255      1.148012  1.749290       1.067950  -2.674597      5.483253  
1 1 1 38 7  6  o 8.923622 2.516486  0.6443949      0.6429158 0.5955494      1.155260  0.6663098      0.7738144 0.7318220      5.032971  
1 1 1 38 7  7  o 8.291328 3.777267  0.000000       0.000000  ?              ?         -0.3296463     1.388819  ?              ?         
1 1 1 38 7  8  o 9.949341 3.056031  0.2903028      1.187541  1.454077       1.696248  -0.8284518     1.663115  3.156440       6.112063  
1 1 1 38 7  9  o 10.26597 3.158239  0.6396154      1.215674  0.2571903      1.658716  1.083418       1.786873  -1.376207      6.316478  
1 1 1 38 7  10 o 10.71940 3.545797  0.5606293      1.904010  1.198060       2.707094  -0.6340106E-01 2.678487  1.028103       7.091594  
1 1 1 38 8  0  o 6.339903 3.334886  -0.9644309     0.8544807 -0.9807937     3.382500  -0.9633154     0.8831239 0.000000       0.000000  
1 1 1 38 8  1  o 14.27050 2.352693  2.294356       0.6568313 2.093788       0.8784982 2.548608       0.9891074 -1.376880      4.705385  
1 1 1 38 8  2  o 7.406563 2.284498  -0.4096084E-02 0.6360476 0.3753031E-01  0.9248162 -0.4145834E-01 0.8761684 0.3329439      4.568997  
1 1 1 38 8  3  o 8.453188 2.481215  0.3912145      0.6704963 0.3732769      1.115645  0.4013569      0.8389033 0.7521038      4.962429  
1 1 1 38 8  4  o 9.354017 2.504991  0.8217579      0.6424362 0.2924614      1.170702  1.049832       0.7684838 -1.028528      5.009983  
1 1 1 38 8  5  o 8.045133 2.457679  0.2412760E-01  0.7329993 0.5543721      1.098144  -0.4019566     0.9843943 2.118716       4.915357  
1 1 1 38 8  6  o 8.659313 2.399915  0.6182680      0.5563749 0.6890401      1.067512  0.5918740      0.6519189 1.259778       4.799829  
1 1 1 38 8  7  o 9.173856 3.998734  0.000000       0.000000  ?              ?         0.3263169      1.377597  ?              ?         
1 1 1 38 8  8  o 11.47239 3.245984  1.410726       1.145957  2.120478       1.682694  0.7968199      1.564959  2.527132       6.491967  
1 1 1 38 8  9  o 11.99505 3.301396  1.693206       1.209448  2.642039       1.658206  0.6146930      1.767895  3.571455       6.602791  
1 1 1 38 8  10 o 10.61900 3.494666  0.5129008      1.817612  1.294918       2.650106  -0.1817262     2.497647  1.373965       6.989332  
1 1 1 38 9  0  o 8.308722 3.575458  0.9351835      0.9031015 0.2994809      2.421995  1.037842       0.9732940 0.000000       0.000000  
1 1 1 38 9  1  o 9.899393 2.567144  0.9311883      0.6586246 0.6927666      0.8474336 1.294900       1.046674  -2.037627      5.134288  
1 1 1 38 9  2  o 21.61201 1.657036  4.869272       0.7118753 5.362509       1.082232  4.493093       0.9451264 1.856674       3.314072  
1 1 1 38 9  3  o 13.11227 2.547207  1.966672       0.6714703 2.115192       1.107944  1.880453       0.8441645 0.5517139      5.094415  
1 1 1 38 9  4  o 7.982217 2.348289  0.3137687      0.6185997 0.1494940      0.9582124 0.4311574      0.8100085 -0.1633101     4.696578  
1 1 1 38 9  5  f 9.245378 2.567911  0.7478961      0.6954306 0.9489253      0.8694483 0.3908763      1.158672  0.7004795      5.135822  
1 1 1 38 9  6  o 11.06947 2.656313  1.180002       0.9477789 2.547236       1.125891  -2.145252      1.755849  6.920074       5.312625  
1 1 1 38 9  7  o 11.81637 3.374995  1.601363       1.217354  -0.3796127     2.877310  2.033278       1.343526  -1.692142      6.749990  
1 1 1 38 9  8  o 9.281670 2.952062  0.6901042E-01  1.157402  0.3818868      1.632973  -0.2468271     1.640682  0.7803125      5.904124  
1 1 1 38 9  9  o 10.75168 3.153985  1.041889       1.153185  2.054792       1.682689  0.1448532      1.583524  3.213496       6.307971  
1 1 1 38 9  10 o 9.800163 3.317799  -0.7199847     1.844128  -1.654599      2.475252  0.4459598      2.764663  -1.764575      6.635597  
1 1 1 38 10 0  o 7.582550 3.578396  0.6903311E-01  0.9093599 1.282231       2.546398  -0.1083047     0.9735562 0.000000       0.000000  
1 1 1 38 10 1  f 9.546046 2.440816  0.8465406      0.6428935 1.409728       0.8751411 0.1863063      0.9475469 3.211432       4.881631  
1 1 1 38 10 2  o 8.091784 2.419635  0.2353990      0.6683759 0.3673161      1.024608  0.1376850      0.8818316 0.9475241      4.839270  
1 1 1 38 10 3  o 10.50210 2.550801  0.3572007      0.7146692 2.663820       1.313532  -0.6127456     0.8517783 8.687683       5.101601  
1 1 1 38 10 4  f 7.130566 2.248174  -0.4865153     0.6581067 0.4565944      1.050836  -1.095119      0.8441525 3.317881       4.496348  
1 1 1 38 10 5  o 7.558375 2.370608  -0.7251842E-01 0.6849794 -0.1001499     0.8510349 -0.2168949E-01 1.154252  -1.176692      4.741215  
1 1 1 38 10 6  o 9.153583 2.733007  0.5138432      0.7282846 0.4856070      0.8166143 0.6235925      1.609959  -2.062616      5.466013  
1 1 1 38 10 7  o 7.891760 2.509854  -0.2990792     0.8732794 0.4178418      1.099642  -1.523311      1.436969  1.548014       5.019707  
1 1 1 38 10 8  o 8.881120 2.699635  0.3826225      0.8854855 0.8952416      1.032711  -1.040631      1.720769  1.249525       5.399269  
1 1 1 38 10 9  o 8.696344 2.860370  -0.3625890     1.214364  -0.5833961     1.750136  -0.1575771     1.686377  -0.3181429     5.720740  
1 1 1 38 11 0  o 6.846984 3.234727  0.1861404      0.9310769 -1.476294      2.613120  0.4278872      0.9964774 0.000000       0.000000  
1 1 1 38 11 1  o 8.140783 2.407884  0.2735683      0.6605628 0.5113745E-01  0.9066252 0.5252530      0.9644035 -1.218357      4.815767  
1 1 1 38 11 2  o 9.681117 2.411680  0.8117927      0.6258708 0.1543945      0.8461524 1.605947       0.9300083 -4.299290      4.823361  
1 1 1 38 11 3  o 7.734878 2.360402  0.2890567E-01  0.6462181 0.4405116      1.068071  -0.2087754     0.8116274 2.183206       4.720803  
1 1 1 38 11 4  o 7.994332 2.338205  0.3573084      0.6088083 0.3042970      0.8391753 0.4162128      0.8845886 -0.4057360     4.676410  
1 1 1 38 11 5  o 7.881718 2.215036  0.2733206      0.5459005 0.9601390      0.8497759 -0.2092808     0.7123242 3.416741       4.430072  
1 1 1 38 11 6  o 12.27588 2.983128  1.873686       0.8589109 1.982993       1.015490  1.598929       1.610001  0.9602842      5.966257  
1 1 1 38 11 7  o 7.109098 2.454020  -2.167674      1.140670  -2.492051      1.608096  -1.839186      1.618255  -0.4936295     4.908040  
1 1 1 38 11 8  o 7.720452 2.532330  -0.6531958     0.9583868 0.1847074      1.102092  -3.252364      1.941056  0.9461789      5.064661  
1 1 1 38 11 9  o 9.837688 3.033887  0.7669619      1.002442  0.6011240      1.160164  1.255537       1.991330  -2.019474      6.067774  
1 1 1 38 12 0  o 19.78312 3.901359  4.985471       1.092010  5.246642       2.552642  4.926968       1.208142  0.000000       0.000000  
1 1 1 38 12 1  o 12.64751 2.456688  1.821462       0.6568283 1.303935       0.9073896 2.391135       0.9520068 -3.635131      4.913376  
1 1 1 38 12 2  o 8.609244 2.392012  0.5448824      0.6114344 0.2414797      0.8365097 0.8929307      0.8959444 -1.860615      4.784024  
1 1 1 38 12 3  o 9.992165 2.482261  1.058434       0.6321931 1.397832       0.8616332 0.6626679      0.9304382 2.107728       4.964523  
1 1 1 38 12 4  o 7.988788 2.340328  0.3450111      0.6153596 0.1891406      0.8719879 0.4996453      0.8685223 -0.7144403     4.680655  
1 1 1 38 12 5  o 7.541307 2.340657  -0.3053300E-01 0.6701592 0.2717614      1.044435  -0.2420927     0.8737413 1.533218       4.681314  
1 1 1 38 12 6  o 9.107382 2.793275  0.2787968      0.9146004 -0.3358508E-01 1.151842  0.8118044      1.504585  -2.199656      5.586550  
1 1 1 38 12 7  f 12.31530 3.200879  1.629322       1.122204  3.271481       1.689511  0.3328305      1.501199  5.905113       6.401757  
1 1 1 38 12 8  o 8.623153 2.780624  -0.4783303E-01 0.9683178 0.1782399      1.108447  -0.7762327     1.989644  -0.8915482     5.561248  
1 1 1 38 12 9  o 7.197426 3.369559  -0.5466573     1.208780  -0.5466573     1.208780  ?              ?         ?              ?         
1 1 1 38 13 0  o 6.521860 3.206806  -0.2986149     0.8620289 0.6958459E-01  2.414462  -0.3524053     0.9228503 0.000000       0.000000  
1 1 1 38 13 1  o 12.05114 2.567207  1.682052       0.6826427 1.291669       0.9658277 2.071749       0.9649780 -2.529524      5.134413  
1 1 1 38 13 2  o 9.357257 2.291112  0.6498181      0.6246970 1.722305       0.8852648 -0.4139434     0.8816563 5.600597       4.582224  
1 1 1 38 13 3  f 7.364565 2.251591  0.7228491E-01  0.6112231 0.2164679      0.8459122 -0.8522972E-01 0.8841555 0.4787240      4.503182  
1 1 1 38 13 4  o 13.08031 2.341703  1.985577       0.6306688 2.639856       0.9036230 1.364182       0.8806224 4.353623       4.683405  
1 1 1 38 13 5  o 6.395932 2.054234  -0.3274690     0.5804037 -0.6835392     0.8731572 -0.4559132E-01 0.7768819 -0.6774759     4.108468  
1 1 1 38 13 6  o 8.957128 2.754758  0.3221245      0.9113671 0.5903490      1.125041  -0.1898754     1.554368  0.2295971      5.509517  
1 1 1 38 13 7  o 10.36154 3.296156  0.4116910      1.221671  1.173370       2.568219  0.1889336      1.388872  2.929890       6.592312  
1 1 1 38 13 8  o 9.500111 2.919445  0.4525831      1.100828  1.275333       1.363957  -1.084722      1.864433  2.196040       5.838891  
1 1 1 38 13 9  f 9.291737 3.951342  0.7405126      1.285499  0.7405126      1.285499  ?              ?         ?              ?         
1 1 1 38 14 0  o 11.20791 4.149730  1.849885       0.9401218 2.746322       2.610891  1.716342       1.007717  0.000000       0.000000  
1 1 1 38 14 1  o 12.05778 2.554362  1.712837       0.6861057 2.159324       0.9464538 1.218336       0.9960444 3.034678       5.108725  
1 1 1 38 14 2  o 13.69830 2.702130  2.031034       0.7314356 1.565171       0.8806889 3.066864       1.313220  -4.211363      5.404260  
1 1 1 38 14 3  o 8.329763 2.445835  0.4038427      0.6617211 0.4453422      0.8494494 0.3397882      1.055336  -0.3553772     4.891671  
1 1 1 38 14 4  o 8.111527 2.364433  0.4078763      0.6224872 0.3047372      0.8843286 0.5091707      0.8763850 -0.4572449     4.728865  
1 1 1 38 14 5  o 7.964188 2.317007  0.4088717      0.5978084 0.1908388      0.9045912 0.5779274      0.7965374 -0.6133099     4.634013  
1 1 1 38 14 6  o 7.947478 2.522133  -0.7389390E-01 0.7579504 -0.1943529     0.9004059 0.2190360      1.404108  -2.119017      5.044266  
1 1 1 38 14 7  o 7.984019 2.596348  -0.6624341     0.9409544 -1.378481      1.216597  0.4035976      1.484435  -2.929127      5.192696  
1 1 1 38 14 8  o 10.72572 3.467454  0.8530822      1.658249  0.9530519      2.532844  0.7780871      2.193771  0.4672022      6.934908  
1 1 1 38 15 0  o 6.497296 3.193485  -0.2389663     0.8911453 -0.2840476     2.493613  -0.2323659     0.9541553 0.000000       0.000000  
1 1 1 38 15 1  o 11.19510 2.684095  1.446249       0.7533746 0.7813523      1.186875  1.894922       0.9749730 -2.903316      5.368191  
1 1 1 38 15 2  o 15.77898 2.441504  3.038076       0.6910817 3.259161       0.8109725 2.451739       1.320687  3.516312       4.883008  
1 1 1 38 15 3  o 12.76328 2.542475  1.956722       0.6773003 2.080408       0.9041114 1.798534       1.022465  1.068054       5.084949  
1 1 1 38 15 4  o 7.225342 2.235765  -0.8091811E-01 0.6425468 0.4289382      0.8715596 -0.6879914     0.9510290 1.737707       4.471529  
1 1 1 38 15 5  o 9.202517 2.489394  0.8060595      0.6503081 0.5130408      0.9103469 1.111403       0.9292949 -1.630748      4.978788  
1 1 1 38 15 6  o 14.33681 3.125266  2.776030       0.9873229 2.952514       1.244514  2.476319       1.621809  1.777416       6.250532  
1 1 1 38 15 7  o 10.97651 2.963150  1.365022       0.9481410 2.010473       1.304262  0.6416442      1.380752  2.868164       5.926300  
1 1 1 38 15 8  o 15.46722 3.926670  3.966714       1.517245  5.574203       2.477264  3.001738       1.919361  3.752707       7.853339  
1 1 1 38 16 0  o 5.755490 3.719628  0.1679545      0.9697520 0.1679545      0.9697520 0.1679545      0.9697520 0.000000       0.000000  
1 1 1 38 16 1  o 9.383518 2.553840  0.8344098      0.6761965 0.9353080      0.9560618 0.7334170      0.9565107 0.5336285      5.107679  
1 1 1 38 16 2  o 10.08929 2.740271  1.037020       0.7719408 0.9693149      1.192359  1.085874       1.012853  -0.2827549E-01 5.480542  
1 1 1 38 16 3  o 7.727790 2.283926  0.1468690      0.6219978 -0.4242362     0.8536072 0.7933675      0.9082047 -2.743259      4.567851  
1 1 1 38 16 4  o 6.662737 2.153832  -0.4405282     0.6515617 -0.7674977     0.8975186 -0.7620607E-01 0.9473982 -1.251916      4.307663  
1 1 1 38 16 5  o 9.817068 2.711668  0.9704902      0.8085316 1.410419       0.9609038 -0.9619589E-01 1.496259  2.118120       5.423335  
1 1 1 38 16 6  o 8.714286 2.701049  0.2717517      0.8121035 0.2389348      0.9469063 0.3630269      1.579192  -1.723892      5.402097  
1 1 1 38 16 7  o 8.414312 2.678351  0.9675144E-01  0.9411428 0.3384976      1.192491  -0.3025267     1.532544  0.1258984      5.356703  
1 1 1 38 16 8  o 8.362229 3.736171  0.1780736      1.281445  0.1780736      1.281445  ?              ?         ?              ?         
1 1 1 38 17 0  o 6.771915 3.187046  0.2027414      0.9770171 -1.136964      2.379259  0.4744686      1.071528  0.000000       0.000000  
1 1 1 38 17 1  o 8.294334 2.403486  0.3758190      0.6473491 -0.2689111E-01 0.8624876 0.8953625      0.9796422 -2.408648      4.806972  
1 1 1 38 17 2  o 11.80805 2.665902  1.677364       0.7143050 1.953059       1.034648  1.426289       0.9873698 1.621368       5.331804  
1 1 1 38 17 3  o 7.867195 2.342410  0.3086179      0.6290753 0.3987570      0.8781464 0.2135973      0.9016113 0.3425970      4.684819  
1 1 1 38 17 4  o 6.729693 2.150329  -0.2617143     0.6209951 -0.9893351E-02 0.8893487 -0.5013133     0.8674984 0.9145379      4.300658  
1 1 1 38 17 5  o 7.829859 2.490343  -0.1345656     0.8227078 0.2343238      1.039375  -0.7534301     1.346238  0.5372596      4.980686  
1 1 1 38 17 6  o 8.689297 2.553130  0.5583867E-01  0.9317026 1.377119       1.065503  -4.236242      1.920398  4.078430       5.106260  
1 1 1 38 17 7  o 9.301622 2.821819  0.6317832      0.9854388 1.253777       1.267856  -0.3173682     1.566192  1.927110       5.643638  
1 1 1 38 18 0  o 15.32350 4.200002  2.948374       0.9852172 5.100849       2.401484  2.512782       1.080316  0.000000       0.000000  
1 1 1 38 18 1  o 11.32901 2.478076  1.236067       0.6797899 0.3399478      0.8670600 2.665614       1.095130  -6.921534      4.956153  
1 1 1 38 18 2  o 9.362996 2.422039  0.7324147      0.6587220 -0.1000848     0.9177071 1.617203       0.9460884 -4.450146      4.844079  
1 1 1 38 18 3  o 8.401159 2.477517  0.4156158      0.6846840 0.2053721      0.8899577 0.7205374      1.071771  -1.579015      4.955033  
1 1 1 38 18 4  o 10.48051 2.545072  1.267158       0.6481254 1.571689       0.9515911 1.003649       0.8851830 1.775782       5.090144  
1 1 1 38 18 5  o 6.308689 2.123777  -1.089974      0.7582239 -0.4312667     0.9374292 -2.336207      1.289413  0.6556640      4.247553  
1 1 1 38 18 6  o 8.889904 2.757951  0.4341659      0.9415415 0.7090064      1.173808  -0.6172992E-01 1.576711  0.3918972      5.515901  
1 1 1 38 18 7  o 6.473428 2.233274  -1.671077      0.9426559 -1.323426      1.259249  -2.114226      1.421722  0.1425166      4.466547  
1 1 1 38 19 0  o 9.003931 3.856402  1.126028       1.052282  2.058076       2.272804  0.8717231      1.187189  0.000000       0.000000  
1 1 1 38 19 1  o 10.16815 2.608245  1.138307       0.6979104 0.7758639      0.9854372 1.503050       0.9885589 -2.018179      5.216491  
1 1 1 38 19 2  o 7.787409 2.335784  0.2368297      0.6465275 -0.1288958     0.9258431 0.5849100      0.9032323 -1.415751      4.671568  
1 1 1 38 19 3  o 7.900892 2.471308  -0.4984958E-01 0.7874505 -0.5525118     1.109035  0.4612171      1.118268  -1.660533      4.942616  
1 1 1 38 19 4  o 8.174701 2.446460  0.2878948      0.7092412 -0.1762275     1.019994  0.7223556      0.9868630 -1.694665      4.892920  
1 1 1 38 19 5  o 9.767930 2.747493  1.017347       0.7743861 1.057478       0.9340822 0.9291424      1.384816  -0.2507420     5.494985  
1 1 1 38 19 6  o 9.513351 2.686791  0.9813873      0.7868093 1.269073       0.9753684 0.4453916      1.331342  1.286638       5.373582  
1 1 1 38 20 0  o 6.215054 2.993413  -0.3216654     1.088678  -1.956538      2.093358  0.2844431      1.274608  0.000000       0.000000  
1 1 1 38 20 1  o 6.543728 2.180958  -0.8161638     0.7402486 -0.7847613     1.130290  -0.8397490     0.9795547 0.6038857      4.361915  
1 1 1 38 20 2  o 9.927341 2.613334  1.054185       0.7063217 0.7272068      1.001865  1.377309       0.9959413 -1.723727      5.226667  
1 1 1 38 20 3  o 8.105911 2.300793  0.1605057      0.6530997 1.206493       0.9296830 -0.8586452     0.9176790 4.258967       4.601585  
1 1 1 38 20 4  o 8.087294 2.365172  0.4023447      0.6477184 -0.7270300E-01 0.9224016 0.8644539      0.9097534 -2.019375      4.730344  
1 1 1 38 20 5  o 9.936663 2.740658  0.9849908      0.7728626 0.4982957      0.9646783 1.857244       1.291443  -3.435008      5.481316  
1 1 1 38 21 0  o 5.417317 2.746054  -1.134333      1.003469  -1.339007      2.078213  -1.072107      1.145902  0.000000       0.000000  
1 1 1 38 21 1  o 9.342600 2.549331  0.8413534      0.6950559 1.226354       0.9665272 0.4290134      1.000255  1.938147       5.098663  
1 1 1 38 21 2  o 11.08547 2.550390  1.471177       0.7295125 2.260926       0.9731351 0.4579368      1.102262  4.919250       5.100779  
1 1 1 38 21 3  o 7.920186 2.405310  0.3175513      0.6855172 0.2166709      1.008128  0.4043158      0.9349390 -0.1817331     4.810619  
1 1 1 38 21 4  o 10.28354 2.721859  0.9001698      0.7311053 2.448296       1.357125  0.2671753      0.8677939 5.599381       5.443717  
1 1 1 38 21 5  o 13.51559 3.032140  2.543072       0.9141797 2.317692       1.220958  2.830631       1.379135  -1.113343      6.064281  
1 1 1 38 22 0  o 7.263935 3.400686  0.1439290      1.035258  1.456627       2.095227  -0.2800626     1.190768  0.000000       0.000000  
1 1 1 38 22 1  o 7.044087 2.252306  -0.1378394     0.6771549 -0.1305701     0.9736778 -0.1446488     0.9423725 0.1239448      4.504612  
1 1 1 38 22 2  o 14.20794 2.510711  2.559267       0.7131920 2.344378       0.9967946 2.784652       1.020847  -1.378768      5.021421  
1 1 1 38 22 3  o 8.989696 2.503790  0.7794159      0.6994467 1.297111       0.9514534 0.1706500      1.031753  2.478940       5.007579  
1 1 1 38 22 4  o 10.01655 2.793682  0.9138625      0.7860318 0.4021910      0.9472408 2.045261       1.408551  -4.072320      5.587363  
1 1 1 38 23 0  o 7.698051 3.313342  0.3368258      1.192996  -2.696879      2.003204  2.004153       1.485077  0.000000       0.000000  
1 1 1 38 23 1  o 7.024352 2.315745  -0.4762671     0.7897937 -0.1165780     0.9775061 -1.152586      1.340391  0.1667199      4.631490  
1 1 1 38 23 2  o 8.870930 2.462407  0.5884243      0.7219967 -0.4466425     1.049099  1.519776       0.9951509 -4.034310      4.924814  
1 1 1 39 0  1  o 11.86523 4.048618  2.340378       1.219122  3.262164       1.678551  1.311281       1.773568  0.000000       0.000000  
1 1 1 39 0  2  o 7.421123 3.440974  0.2040935      1.230081  0.3663783E-01  1.743167  0.3701844      1.736049  0.000000       0.000000  
1 1 1 39 0  3  o 6.538988 3.114497  -0.2561799     1.126298  -0.1442794     1.574950  -0.3733089     1.611323  0.000000       0.000000  
1 1 1 39 0  4  o 5.042904 2.529751  -1.388051      1.011373  -0.8104756     1.301938  -2.266981      1.606065  0.000000       0.000000  
1 1 1 39 0  5  o 17.04078 3.680971  3.288205       0.7638379 3.102950       0.8092592 4.800919       2.312498  0.000000       0.000000  
1 1 1 39 0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 39 0  7  o 8.880450 5.561651  1.178106       1.986563  1.178106       1.986563  1.178106       1.986563  0.000000       0.000000  
1 1 1 39 0  8  o 9.898073 4.217929  1.465671       1.722469  -1.043500      2.823626  2.952789       2.173776  0.000000       0.000000  
1 1 1 39 0  9  o 10.42878 4.389821  2.245284       1.766928  0.3179017      2.849900  3.448779       2.251997  0.000000       0.000000  
1 1 1 39 1  0  o 7.904567 3.538711  0.5607144      1.214197  -1.456649      2.500804  1.182954       1.388886  0.000000       0.000000  
1 1 1 39 1  1  o 10.38403 2.840950  0.9749445      0.8519601 1.342378       1.203440  0.6057792      1.206272  1.678256       5.681901  
1 1 1 39 1  2  o 11.91135 2.910176  1.602443       0.8438807 1.760622       1.232008  1.462634       1.158258  0.8535004      5.820352  
1 1 1 39 1  3  o 9.093178 2.674672  0.4221326      0.8107877 0.3423006E-01  1.104317  0.8757533      1.194205  -1.902972      5.349344  
1 1 1 39 1  4  o 19.61367 1.877155  4.407696       0.6415156 3.556020       1.116192  4.827789       0.7839242 -3.942877      3.754309  
1 1 1 39 1  5  o 13.48559 2.375779  2.073727       0.5995440 2.216137       1.101111  2.013715       0.7147920 0.1114321      4.751558  
1 1 1 39 1  6  o 14.41154 6.056285  0.000000       0.000000  ?              ?         3.055202       2.961009  ?              ?         
1 1 1 39 1  7  o 12.63124 3.600753  1.634293       1.522208  3.502818       2.187134  -0.1211101     2.119895  5.234945       7.201506  
1 1 1 39 1  8  o 11.54084 3.381361  1.433356       1.280380  1.248435       1.799755  1.622858       1.821908  -0.6274052     6.762722  
1 1 1 39 1  9  o 8.692113 2.857757  -0.7404641     1.279163  0.9302555      1.756918  -2.625139      1.866027  2.993862       5.715514  
1 1 1 39 2  0  o 12.75889 4.087481  2.840408       1.224217  1.628273       2.465576  3.237023       1.410351  0.000000       0.000000  
1 1 1 39 2  1  o 9.028637 2.706502  0.2993305      0.8584242 0.6861582      1.226946  -0.7158516E-01 1.201446  1.451760       5.413003  
1 1 1 39 2  2  o 8.857845 2.656172  0.8586248E-01  0.8647698 0.9798720      1.228949  -0.7909555     1.217076  3.050097       5.312344  
1 1 1 39 2  3  o 10.55970 2.918262  1.032588       0.9328102 0.1747255E-01  1.625798  1.530752       1.138925  -2.074457      5.836523  
1 1 1 39 2  4  o 13.82641 2.443447  2.101686       0.6267834 2.617260       1.169168  1.893753       0.7424946 1.771068       4.886894  
1 1 1 39 2  5  o 13.18732 2.409859  1.732318       0.6083643 3.052887       1.136793  1.202329       0.7201694 5.780918       4.819718  
1 1 1 39 2  6  o 8.975015 4.450593  0.000000       0.000000  ?              ?         -4.246294      3.013462  ?              ?         
1 1 1 39 2  7  o 10.15459 3.212740  0.1739445      1.391042  1.160819       1.912005  -0.9357960     2.027536  2.177154       6.425480  
1 1 1 39 2  8  o 11.33478 3.319788  1.145078       1.296016  -0.7379995E-02 1.826083  2.314763       1.839681  -3.522745      6.639577  
1 1 1 39 2  9  o 12.28216 3.471836  2.191728       1.310680  1.499506       1.810558  2.953890       1.899824  -2.481997      6.943672  
1 1 1 39 3  0  o 8.338636 3.787451  0.5348797      1.223478  1.273958       2.390797  0.2726559      1.424078  0.000000       0.000000  
1 1 1 39 3  1  o 8.016415 2.579361  -0.4400024     0.9072437 -0.3671697     1.224186  -0.5287431     1.351281  -0.1882944     5.158721  
1 1 1 39 3  2  o 11.87113 2.810299  1.363270       0.9188412 -0.9787469E-01 1.312214  2.768863       1.287027  -6.580043      5.620598  
1 1 1 39 3  3  f 10.85216 2.821035  1.237727       0.7045522 0.9456438      1.664419  1.301490       0.7776614 0.2685499      5.642069  
1 1 1 39 3  4  o 13.27374 2.450381  1.960735       0.6202070 2.389469       1.120283  1.771259       0.7447503 1.605554       4.900761  
1 1 1 39 3  5  o 7.827346 2.303353  -0.4328344E-01 0.5595431 1.075147       1.075082  -0.4588077     0.6552927 4.777667       4.606707  
1 1 1 39 3  6  o 8.279048 3.685161  0.000000       0.000000  ?              ?         -0.1403614E-01 1.236288  ?              ?         
1 1 1 39 3  7  o 10.02657 4.643565  -0.2413746     2.213167  -0.2413746     2.213167  ?              ?         ?              ?         
1 1 1 39 3  8  o 10.51121 3.178657  0.7291616      1.242200  -0.3416265     1.817011  1.668781       1.702087  -2.664746      6.357314  
1 1 1 39 3  9  o 8.759560 2.880332  -0.2411876     1.229654  -0.1867211E-01 1.726659  -0.4701765     1.751595  0.4238081      5.760665  
1 1 1 39 4  0  o 9.569989 3.942369  0.9238474      1.185033  2.804562       2.138195  0.9005600E-01  1.423687  0.000000       0.000000  
1 1 1 39 4  1  o 12.00910 2.976633  1.609089       0.8835762 1.908365       1.316887  1.364045       1.191614  1.492235       5.953265  
1 1 1 39 4  2  o 10.16084 2.717199  0.9057453      0.6870325 1.394765       1.325984  0.7262858      0.8032634 2.588621       5.434398  
1 1 1 39 4  3  o 8.722547 2.673441  -0.4616275E-01 0.6956214 1.169340       1.577805  -0.3394293     0.7750084 4.986232       5.346881  
1 1 1 39 4  4  o 11.14253 2.540156  1.409356       0.6179495 1.448951       1.100526  1.391124       0.7467902 0.2460718      5.080312  
1 1 1 39 4  5  o 12.13100 2.487863  1.575540       0.7497910 0.2802597      1.038155  2.987912       1.084064  -7.641729      4.975726  
1 1 1 39 4  6  o 10.97104 4.352296  0.000000       0.000000  ?              ?         1.283316       1.420294  ?              ?         
1 1 1 39 4  7  o 7.124908 3.482251  -2.223965      1.648226  -2.223965      1.648226  ?              ?         ?              ?         
1 1 1 39 4  8  o 8.605366 2.854094  -0.9105200     1.266721  -1.789171      1.813728  -0.7381739E-01 1.769903  -1.508183      5.708189  
1 1 1 39 4  9  o 8.301174 2.776917  -0.8042805     1.235264  -1.528098      1.729757  -0.5099298E-01 1.764619  -1.405551      5.553833  
1 1 1 39 5  0  o 12.74816 4.909467  1.914046       1.322337  5.411188       3.407063  1.293830       1.434812  0.000000       0.000000  
1 1 1 39 5  1  o 11.42609 2.785266  1.426931       0.7337790 1.535557       1.320963  1.378454       0.8824500 0.7474203      5.570532  
1 1 1 39 5  2  o 8.289661 2.530595  0.1052948      0.6762087 0.6018378      1.332076  -0.6708135E-01 0.7848545 2.968709       5.061190  
1 1 1 39 5  3  o 8.278248 2.443054  0.2702370      0.6514515 0.7708704      1.092295  -0.6149011E-02 0.8115927 2.536811       4.886108  
1 1 1 39 5  4  o 6.840273 2.179346  -0.1950305     0.5845519 -0.2252732     1.057595  -0.1817275     0.7014326 1.318007       4.358692  
1 1 1 39 5  5  o 18.32614 2.213157  3.706113       0.7855136 3.098307       1.030733  4.548173       1.213208  -3.879257      4.426314  
1 1 1 39 5  6  o 11.00806 4.582136  0.000000       0.000000  ?              ?         1.144681       1.669500  ?              ?         
1 1 1 39 5  7  o 6.481444 3.234297  -3.592143      1.715395  -3.592143      1.715395  ?              ?         ?              ?         
1 1 1 39 5  8  o 9.383770 3.044547  -0.3254075     1.372949  -4.105491      2.824397  0.8441842      1.571058  -1.638628      6.089095  
1 1 1 39 5  9  o 8.782947 2.896702  -0.3590916     1.257021  0.3280678      1.802243  -1.010049      1.754126  1.412460       5.793404  
1 1 1 39 6  0  o 9.145190 3.894876  1.095872       0.8250521 0.8968399      3.193370  1.110108       0.8540490 0.000000       0.000000  
1 1 1 39 6  1  o 11.69614 2.381598  1.433613       0.6176438 0.7602969      0.8052023 2.396113       0.9627106 -5.463978      4.763196  
1 1 1 39 6  2  o 17.01173 2.429284  3.436123       0.7395964 2.938451       1.347004  3.650912       0.8849196 -3.106716      4.858567  
1 1 1 39 6  3  o 9.187979 2.386953  0.7656589E-01  0.6314445 2.016670       1.144847  -0.7716828     0.7570010 7.453150       4.773907  
1 1 1 39 6  4  o 6.453478 2.118199  -0.5012463     0.6113190 -0.6259724     1.093765  -0.4445834     0.7372159 1.178949       4.236397  
1 1 1 39 6  5  o 8.188877 2.481933  0.2543924      0.7269498 0.2570787      1.009961  0.2515045      1.047173  -0.9553528E-01 4.963866  
1 1 1 39 6  6  o 11.25979 3.463448  1.011430       1.273978  1.058172       2.765925  0.9988437      1.435292  1.650697       6.926897  
1 1 1 39 6  7  o 7.712224 3.703150  -1.462983      1.652611  -1.462983      1.652611  ?              ?         ?              ?         
1 1 1 39 6  8  o 11.83049 3.698385  0.9321283      1.511234  3.577268       2.987402  0.2243421E-01  1.751931  5.027329       7.396770  
1 1 1 39 6  9  o 10.82111 3.217764  1.313863       1.196897  2.038117       1.750096  0.6774429      1.640546  2.224170       6.435528  
1 1 1 39 7  0  o 5.940440 3.122265  -0.7444398     0.7987334 -2.437497      3.418459  -0.6466720     0.8214716 0.000000       0.000000  
1 1 1 39 7  1  o 7.831047 2.320290  0.2167999      0.6173268 -0.9047081E-01 0.8384782 0.5805125      0.9122427 -1.737029      4.640579  
1 1 1 39 7  2  o 9.260579 2.334731  0.7073784      0.6190609 1.539086       0.8685059 -0.1516085     0.8826340 4.519707       4.669461  
1 1 1 39 7  3  o 8.789980 2.450381  0.1707220      0.6555015 1.530083       1.141453  -0.4981639     0.8006943 5.446919       4.900763  
1 1 1 39 7  4  o 7.189847 2.181149  -0.8735207E-01 0.6303234 -1.660905      1.146402  0.5944719      0.7546269 -2.186658      4.362298  
1 1 1 39 7  5  o 9.143066 2.602457  0.7068206      0.7305095 0.6782497      1.027183  0.7360590      1.039114  -0.1606607     5.204915  
1 1 1 39 7  6  f 12.60107 3.468125  2.034839       1.262075  0.7928503      2.597432  2.418686       1.443992  -1.942400      6.936250  
1 1 1 39 7  7  o 12.20718 4.692937  1.890212       1.617618  1.890212       1.617618  ?              ?         ?              ?         
1 1 1 39 7  8  o 8.645393 2.953546  -1.178166      1.342623  -0.7109699     2.551701  -1.357030      1.578850  2.336596       5.907093  
1 1 1 39 7  9  o 10.90355 3.260672  1.242095       1.398787  2.430695       1.656257  -1.714525      2.612207  3.654008       6.521344  
1 1 1 39 8  0  o 6.827635 3.461419  -0.2480924     0.8594182 -1.074702      3.591218  -0.1978768     0.8851376 0.000000       0.000000  
1 1 1 39 8  1  o 7.514134 2.281586  0.1313019      0.6161336 0.2116701      0.8370231 0.3625305E-01  0.9102666 0.1117592      4.563173  
1 1 1 39 8  2  o 17.46457 1.914480  3.335913       0.6509926 2.985445       0.9186568 3.689428       0.9226413 -2.245440      3.828961  
1 1 1 39 8  3  o 10.93263 2.448637  1.357964       0.6149533 0.9899626      0.8707297 1.724188       0.8686247 -2.438075      4.897275  
1 1 1 39 8  4  o 8.842323 2.449561  0.5705212      0.6329381 1.139097       1.004218  0.1957906      0.8152551 2.845304       4.899123  
1 1 1 39 8  5  o 7.209733 2.259640  -0.1992613E-01 0.6162271 -0.1226540     1.078939  0.2980707E-01  0.7507169 0.8671937      4.519280  
1 1 1 39 8  6  o 9.467480 2.869328  0.4309723      1.018682  -0.6001364     1.602870  1.129641       1.319415  -2.037210      5.738656  
1 1 1 39 8  7  o 11.46556 4.653193  1.468889       1.670571  1.468889       1.670571  ?              ?         ?              ?         
1 1 1 39 8  8  o 9.825067 3.021329  0.5233777      1.172223  -0.6526828     1.646752  1.731459       1.669020  -3.237532      6.042658  
1 1 1 39 9  0  o 12.79845 4.564214  -0.7733307     0.8674794 8.556170       3.695871  -1.317273      0.8924098 0.000000       0.000000  
1 1 1 39 9  1  o 9.478729 2.390618  0.7157332      0.6386127 1.666558       0.9402786 -0.9840305E-01 0.8700712 4.864125       4.781236  
1 1 1 39 9  2  o 10.86866 2.417364  1.235533       0.6483172 2.147357       0.9391147 0.4052987      0.8961141 5.339741       4.834727  
1 1 1 39 9  3  o 6.706423 2.126993  -0.4125560     0.6177365 -1.042060      0.8592269 0.2609410      0.8887433 -2.254294      4.253987  
1 1 1 39 9  4  o 9.353540 2.376975  0.8362121      0.6090556 0.2177828      0.8627515 1.450595       0.8599246 -3.503541      4.753949  
1 1 1 39 9  5  o 10.87195 3.326221  0.9023963      0.8568105 0.8831248      0.8922008 1.130961       3.072620  -3.105050      6.652442  
1 1 1 39 9  6  o 11.89645 3.079400  1.769097       1.003206  2.310989       1.298983  0.9681766      1.579215  2.828815       6.158801  
1 1 1 39 9  7  o 11.59544 5.215954  0.9505913      2.536051  0.9505913      2.536051  ?              ?         ?              ?         
1 1 1 39 9  8  o 8.220291 2.732143  -0.6968790     1.181599  0.5813104E-01  1.598572  -1.606191      1.754335  1.237138       5.464286  
1 1 1 39 10 0  o 8.080439 3.763773  0.5097958      1.015929  0.8348660      2.956819  0.4662834      1.081789  0.000000       0.000000  
1 1 1 39 10 1  o 7.703580 2.293000  0.2163941      0.6082042 0.4946751      0.8725044 -0.4664204E-01 0.8482689 1.279977       4.586000  
1 1 1 39 10 2  o 7.124166 2.193032  -0.2415483     0.6314054 0.5450342      0.8868731 -1.050036      0.8991373 2.758333       4.386064  
1 1 1 39 10 3  o 12.98012 2.362676  1.996928       0.6407187 2.642841       0.8967322 1.323263       0.9157947 4.499124       4.725352  
1 1 1 39 10 4  o 7.531949 2.281148  0.1817201      0.6142020 0.8129700E-01  0.8653791 0.2836583      0.8718830 -0.4513402     4.562296  
1 1 1 39 10 5  o 12.53818 2.944479  2.024257       0.8359577 2.205443       0.9485266 1.393935       1.769165  2.039140       5.888959  
1 1 1 39 10 6  o 7.316730 2.461872  -1.162147      0.9916693 -1.399924      1.367643  -0.8985370     1.440019  -0.6952662     4.923743  
1 1 1 39 10 7  o 11.69319 3.369678  1.205944       1.035138  0.7191576      1.162096  3.075765       2.277575  -4.815087      6.739355  
1 1 1 39 10 8  o 10.40347 3.065117  1.220920       0.9962784 1.248255       1.167321  1.147604       1.911746  -0.4375515     6.130233  
1 1 1 39 11 0  f 10.23140 4.341307  0.7870095      1.033593  4.086290       3.021970  0.3499218      1.099930  0.000000       0.000000  
1 1 1 39 11 1  o 8.606917 2.393455  0.4475429      0.6532747 -0.2533239     0.9206016 1.158452       0.9271734 -3.317706      4.786910  
1 1 1 39 11 2  o 8.350999 2.525339  0.2091486E-01  0.7166236 -0.4352977     0.8692169 0.9890913      1.266257  -3.831705      5.050678  
1 1 1 39 11 3  o 8.437076 2.289719  0.5564274      0.5891171 -0.1047912     0.8794686 1.094604       0.7934331 -2.862994      4.579438  
1 1 1 39 11 4  o 8.589254 2.384851  0.5861734      0.6229592 1.014440       0.8702793 0.1361393      0.8921216 2.166814       4.769701  
1 1 1 39 11 5  o 7.448158 2.475050  -0.6794129     0.8754959 -0.5102417     1.040472  -1.089640      1.620241  -1.078735      4.950100  
1 1 1 39 11 6  o 9.559273 2.893216  0.5944512      0.9508573 0.5670832      1.178818  0.6454196      1.608701  -0.9448910     5.786431  
1 1 1 39 11 7  o 10.08562 3.063347  0.9150615      1.007396  0.9755409      1.146204  0.7097421      2.111899  -0.8162251     6.126694  
1 1 1 39 11 8  o 12.67559 3.137170  2.452552       1.062183  2.899470       1.206636  0.9140508      2.238780  4.059027       6.274340  
1 1 1 39 12 0  o 6.902973 3.464908  -0.4621449     0.9139121 0.6017857      2.967243  -0.5736519     0.9606110 0.000000       0.000000  
1 1 1 39 12 1  o 8.895825 2.432840  0.4901324      0.7027240 -0.5782815     1.041154  1.384105       0.9523736 -4.043083      4.865680  
1 1 1 39 12 2  o 8.838310 2.594781  0.5012143      0.6760279 0.4014683      0.7851486 0.7871150      1.329265  -2.109232      5.189563  
1 1 1 39 12 3  o 7.669868 2.369753  0.9531964E-01  0.6791601 0.1560818      0.8736614 0.2522741E-02  1.079676  -0.3705182     4.739506  
1 1 1 39 12 4  o 7.098336 2.217985  -0.1835735     0.6523739 0.3783030      0.8826932 -0.8599311     0.9684508 1.796140       4.435970  
1 1 1 39 12 5  o 11.20109 2.986061  1.201613       0.7963853 0.8489921      0.9075395 2.382420       1.660736  -4.046901      5.972121  
1 1 1 39 12 6  o 8.726918 2.720868  0.1248024      0.9058011 -0.2056501     1.160367  0.6402790      1.449257  -2.017045      5.441736  
1 1 1 39 12 7  o 9.113214 2.889239  0.4508393      0.9650804 0.6160278      1.072344  -0.2531615     2.213762  -0.8274527     5.778479  
1 1 1 39 13 0  o 8.547207 3.743595  0.9476259      0.9030965 1.355330       2.598070  0.8915936      0.9631572 0.000000       0.000000  
1 1 1 39 13 1  o 12.27000 2.731288  1.874982       0.7552921 1.531178       1.221030  2.088060       0.9612617 -1.772940      5.462576  
1 1 1 39 13 2  o 9.260132 2.718613  0.3594437      0.8732182 -0.4806187     1.175965  1.391960       1.303728  -3.661500      5.437226  
1 1 1 39 13 3  o 7.572529 2.325163  -0.1451742E-01 0.6596576 -0.4288090     0.8676106 0.5531092      1.015554  -2.342353      4.650326  
1 1 1 39 13 4  o 6.996648 2.258501  -0.3469195     0.6936572 -0.4979171     0.9109854 -0.1385828     1.070063  -1.105057      4.517002  
1 1 1 39 13 5  o 10.60706 2.518186  1.395098       0.7360919 1.982213       0.8393100 -0.5612224     1.532078  4.632709       5.036371  
1 1 1 39 13 6  o 8.643061 2.766659  -0.1702917     0.9694774 -0.6553485     1.192719  0.7741999      1.664335  -2.998032      5.533319  
1 1 1 39 13 7  o 8.726326 2.845884  -0.1229871     1.168363  0.3859167      1.502992  -0.9001201     1.857320  0.7077179      5.691769  
1 1 1 39 14 0  o 8.036651 4.375882  1.074933       0.9811273 1.074933       0.9811273 1.074933       0.9811273 0.000000       0.000000  
1 1 1 39 14 1  o 12.73092 2.625049  2.005201       0.7198936 1.649552       1.093186  2.277530       0.9565979 -2.132347      5.250098  
1 1 1 39 14 2  o 8.075191 2.474648  0.1863961      0.7399326 -0.8504819E-01 1.151858  0.3771059      0.9654842 -0.3065281     4.949295  
1 1 1 39 14 3  o 8.773584 2.380013  0.6158386      0.6404427 1.258959       0.8752332 -0.1254134     0.9396383 3.249032       4.760026  
1 1 1 39 14 4  o 10.55419 2.473166  1.239830       0.6510441 1.947209       0.9381956 0.5828196      0.9041771 4.132603       4.946332  
1 1 1 39 14 5  o 8.355785 2.798562  -0.7675787     0.9544193 -1.032520      1.069230  0.2711646      2.117146  -4.002865      5.597125  
1 1 1 39 14 6  o 11.02676 3.454977  1.254239       1.391411  1.225365       2.836017  1.263392       1.596804  0.8480701      6.909953  
1 1 1 39 14 7  o 8.253742 2.781526  -0.8993821     1.265421  -0.2151322     1.541079  -2.315665      2.217137  0.3178244      5.563053  
1 1 1 39 15 0  o 8.275008 3.455951  1.090613       0.9420525 -0.9744589     2.641895  1.391439       1.008337  0.000000       0.000000  
1 1 1 39 15 1  o 8.674343 2.476991  0.5996954      0.6685797 0.4022322      0.9590830 0.7863666      0.9325060 -0.8512545     4.953981  
1 1 1 39 15 2  o 6.373260 2.083783  -0.8320614     0.6680800 -1.837822      0.9565502 0.1257857      0.9334877 -2.423504      4.167567  
1 1 1 39 15 3  o 6.240740 2.051735  -0.6037340     0.6260516 -0.1979104     0.8896467 -1.001848      0.8811557 1.171363       4.103471  
1 1 1 39 15 4  o 11.42636 2.275356  1.372294       0.6605492 2.789795       0.9522375 0.5756089E-01  0.9170699 8.043932       4.550713  
1 1 1 39 15 5  o 15.67684 2.963712  3.334060       0.9102425 3.449682       1.071958  3.035211       1.723398  2.672715       5.927423  
1 1 1 39 15 6  o 12.47267 3.348332  2.307529       1.149391  2.284621       1.721658  2.325950       1.543815  -0.2050304     6.696664  
1 1 1 39 16 0  o 8.252021 3.871182  0.3604755      0.9351402 2.267853       3.012406  0.1570661      0.9837406 0.000000       0.000000  
1 1 1 39 16 1  o 7.418909 2.294277  -0.3795185E-01 0.6687301 -0.5746882     0.9486296 0.4922659      0.9428515 -1.904233      4.588553  
1 1 1 39 16 2  o 6.794810 2.239916  -0.6509336     0.7314071 -0.2888329     1.138119  -0.9056923     0.9546356 1.462757       4.479831  
1 1 1 39 16 3  o 8.138401 2.355346  0.6595973E-01  0.7215438 1.171965       0.9610695 -1.362758      1.092319  4.081293       4.710692  
1 1 1 39 16 4  o 9.967747 2.794381  0.7431400      0.7767789 0.2591986      0.9218054 1.928507       1.442678  -4.398077      5.588761  
1 1 1 39 16 5  o 8.371718 2.632215  0.2828768      0.7983451 0.3142428      0.9233338 0.1899767      1.589052  -1.249752      5.264429  
1 1 1 39 16 6  o 8.797145 2.747121  0.3101346      0.9817362 0.8719098      1.265016  -0.5405748     1.556702  1.418966       5.494243  
1 1 1 39 17 0  o 6.275201 3.142777  -0.3159600     0.8508863 -0.4421525     2.651061  -0.3014672     0.8984193 0.000000       0.000000  
1 1 1 39 17 1  f 9.220533 2.548145  0.7683958      0.6948226 0.3907988      0.9642685 1.176184       1.002077  -2.005931      5.096289  
1 1 1 39 17 2  o 7.585948 2.288052  0.2483984E-01  0.6575074 0.7393191      0.9188676 -0.7248673     0.9412478 2.687413       4.576104  
1 1 1 39 17 3  o 7.385985 2.429322  -0.4028246     0.8010234 -0.9026738E-01 0.9199407 -1.382773      1.628909  -0.5818372     4.858643  
1 1 1 39 17 4  o 9.993494 2.842626  0.8704870      0.8327395 0.3527862      1.010867  1.963680       1.468937  -3.852740      5.685252  
1 1 1 39 17 5  o 11.03407 2.980587  1.437061       0.8146812 1.233916       0.9333850 2.086829       1.669311  -1.976847      5.961174  
1 1 1 39 18 0  o 10.60787 3.851257  2.108574       1.090119  0.7981555      2.601975  2.387555       1.200564  0.000000       0.000000  
1 1 1 39 18 1  o 8.891249 2.410463  0.4038218      0.7569509 -1.513374      1.221572  1.598804       0.9644209 -5.028785      4.820925  
1 1 1 39 18 2  o 9.092364 2.520082  0.8173724      0.6712351 0.6463212      0.9373091 0.9974418      0.9617002 -0.9326630     5.040164  
1 1 1 39 18 3  o 6.866529 2.296301  -0.8095039     0.8384686 -0.8248616     1.135063  -0.7910582     1.243951  -0.3697777     4.592601  
1 1 1 39 18 4  o 8.891352 2.599177  0.7289939      0.7468414 0.9362317      0.8975839 0.2626826      1.346414  0.5530157      5.198354  
1 1 1 39 19 0  o 12.40081 3.609077  2.909112       1.043246  1.211830       2.507735  3.264329       1.147232  0.000000       0.000000  
1 1 1 39 19 1  o 6.635380 2.155706  -0.4341871     0.6670628 0.9257489E-01  0.9501783 -0.9461155     0.9367043 1.557238       4.311413  
1 1 1 39 19 2  o 9.177474 2.702502  0.6637018      0.7826735 0.3288883      0.9592078 1.330687       1.353847  -2.633475      5.405005  
1 1 1 39 19 3  o 9.691595 2.509309  1.121015       0.6399892 1.237893       0.8683174 0.9820095      0.9469489 0.6983004      5.018619  
1 1 1 39 20 0  o 6.564660 3.178903  0.5331646E-01  1.049550  -1.521199      2.717986  0.3292382      1.137802  0.000000       0.000000  
1 1 1 39 20 1  o 9.920245 2.386612  0.8543136      0.7142594 2.297641       1.007018  -0.6069060     1.013241  6.807010       4.773224  
1 1 1 39 20 2  o 7.891277 2.403978  0.3254818      0.6875122 0.3037704      1.010679  0.3441816      0.9379660 0.1040063      4.807956  
1 1 1 40 0  0  o 9.167956 4.113146  -0.3251491     1.532788  2.556471       2.716269  -1.671466      1.856641  0.000000       0.000000  
1 1 1 40 0  1  o 12.02751 4.461880  2.683139       1.394419  2.841135       1.608040  2.204162       2.799823  0.000000       0.000000  
1 1 1 40 0  2  o 10.12739 4.086681  1.290890       1.377927  -0.7186735E-01 1.783295  3.310030       2.170687  0.000000       0.000000  
1 1 1 40 0  3  o 12.68103 4.082603  3.154617       1.469383  -0.6222869     3.470046  3.979810       1.621978  0.000000       0.000000  
1 1 1 40 0  4  o 6.777702 3.151418  0.2070926      1.000885  0.1488129      1.252411  0.3101041      1.665064  0.000000       0.000000  
1 1 1 40 0  5  o 11.16684 4.721007  2.484206       1.804184  2.938224       2.823116  2.170761       2.345704  0.000000       0.000000  
1 1 1 40 0  6  o 10.43096 4.523768  2.000053       1.738546  2.466642       2.753229  1.690625       2.242097  0.000000       0.000000  
1 1 1 40 0  7  o 10.78278 4.685390  2.270241       1.909461  4.040628       2.983465  1.041910       2.485103  0.000000       0.000000  
1 1 1 40 0  8  o 8.964443 4.188588  0.3224285      1.853248  3.267884       2.974093  -1.547244      2.369524  0.000000       0.000000  
1 1 1 40 1  0  o 8.311239 3.746560  0.8087736      1.236962  -0.4946495E-01 2.673190  1.042606       1.395333  0.000000       0.000000  
1 1 1 40 1  1  o 11.19507 3.186139  1.148551       1.084310  1.819762       1.708134  0.6955279      1.403306  2.486756       6.372278  
1 1 1 40 1  2  o 9.329847 2.806307  0.4928784      0.9117401 0.5852535      1.373446  0.4200986      1.219100  0.6344995      5.612615  
1 1 1 40 1  3  o 9.896656 2.927512  0.5531946      1.008786  1.506994       1.479656  -0.2751788     1.378940  3.188963       5.855024  
1 1 1 40 1  4  o 8.415135 2.441535  0.4891875      0.6068777 0.6312147      1.132260  0.4319390      0.7188572 1.520464       4.883070  
1 1 1 40 1  5  o 8.709362 2.940589  -1.181844      1.370882  -1.188311      1.730625  -1.170951      2.246054  -1.109191      5.881179  
1 1 1 40 1  6  o 10.04566 3.161870  0.3921827      1.283227  0.2826894      1.771336  0.5131115      1.861538  -0.4480915     6.323739  
1 1 1 40 1  7  o 8.957687 2.914299  -0.1196837     1.220147  -0.6756999     1.771471  0.3821943      1.683021  -0.9828701     5.828599  
1 1 1 40 1  8  o 9.892019 3.105535  0.7174057      1.232342  0.6763413      1.712397  0.7615210      1.774871  -0.1901197     6.211070  
1 1 1 40 2  0  o 6.531116 3.127132  -0.2702049     1.150734  -1.732946      2.165853  0.3051147      1.358313  0.000000       0.000000  
1 1 1 40 2  1  o 7.544897 2.415946  -0.4031620     0.8192938 0.2659156      0.9922011 -1.837017      1.452493  1.188660       4.831892  
1 1 1 40 2  2  o 11.61856 2.800351  1.578823       0.7889314 2.024969       1.152588  1.185525       1.082173  2.360297       5.600702  
1 1 1 40 2  3  o 8.057427 2.377953  0.3227235      0.6689792 -0.6099671     1.182584  0.7616539      0.8112615 -1.543726      4.755907  
1 1 1 40 2  4  f 8.266491 2.412814  0.4369282      0.5937927 0.6229829      1.117647  0.3637573      0.7008957 1.718781       4.825628  
1 1 1 40 2  5  o 8.496093 2.754931  -0.3387429     1.071380  -0.9887758     1.725574  0.6904189E-01  1.366725  -0.3524284     5.509862  
1 1 1 40 2  6  o 9.277359 2.973808  -0.6201322E-01 1.193656  0.2768147      1.762685  -0.3489917     1.622220  1.041368       5.947616  
1 1 1 40 2  7  o 8.371189 2.823969  -1.024057      1.328825  -1.373807      1.905028  -0.6926232     1.854475  -0.4598942     5.647938  
1 1 1 40 3  0  o 8.143196 3.628462  0.8188381      1.185301  0.2261546      2.179393  1.067786       1.412467  0.000000       0.000000  
1 1 1 40 3  1  o 9.475916 2.794971  0.6058899      0.8973634 1.003405       1.115589  -0.1228157     1.510439  1.142635       5.589941  
1 1 1 40 3  2  o 7.635024 2.449891  -0.5093817     0.8584038 -1.579975      1.300126  0.3179902      1.142940  -1.960364      4.899783  
1 1 1 40 3  3  f 11.05046 2.504309  1.450451       0.6033868 1.271453       1.130130  1.521821       0.7136095 -0.7912331     5.008617  
1 1 1 40 3  4  o 9.675904 2.369186  1.041955       0.6308600 -0.1192646     1.138339  1.556691       0.7578918 -3.696170      4.738372  
1 1 1 40 3  5  o 11.51589 3.234731  1.503248       1.084122  1.902632       1.759494  1.258830       1.376446  1.504764       6.469463  
1 1 1 40 3  6  o 9.865294 3.091041  0.3941102      1.211659  0.2251961      1.708900  0.5648732      1.718227  -0.4752531     6.182083  
1 1 1 40 3  7  o 9.529190 3.097378  0.1778168      1.352228  -0.8636379     2.332793  0.7048328      1.659464  -0.5509319     6.194756  
1 1 1 40 4  0  o 9.006111 3.883692  1.240061       1.226192  1.326382       2.188944  1.200587       1.480239  0.000000       0.000000  
1 1 1 40 4  1  o 14.32480 2.540113  2.281596       0.7042434 3.216041       1.206038  1.798119       0.8675055 3.984109       5.080225  
1 1 1 40 4  2  o 14.61809 2.849454  2.547071       0.9200434 4.081665       1.395308  1.366592       1.223777  7.247462       5.698908  
1 1 1 40 4  3  o 9.930165 2.541430  1.093317       0.6348445 0.8165801      1.153912  1.213441       0.7602432 -0.6446018     5.082860  
1 1 1 40 4  4  o 11.53297 2.590873  1.555613       0.6428066 1.737300       1.131219  1.468970       0.7811846 0.7231398      5.181746  
1 1 1 40 4  5  o 10.04568 3.115056  0.3285847      1.235331  -0.7009388     1.694593  1.496161       1.804638  -3.069568      6.230112  
1 1 1 40 4  6  o 12.01192 3.516027  1.615242       1.312969  2.112457       2.303744  1.376040       1.597879  1.606517       7.032053  
1 1 1 40 4  7  o 13.81796 3.650543  3.157869       1.398540  2.498631       2.249452  3.573255       1.785592  -2.451028      7.301085  
1 1 1 40 5  0  o 9.545046 3.871658  1.387574       0.8389231 0.2009439      3.620091  1.454917       0.8623998 0.000000       0.000000  
1 1 1 40 5  1  o 12.78704 2.607507  2.000671       0.6980839 1.826891       1.141270  2.104559       0.8824099 -1.162581      5.215014  
1 1 1 40 5  2  o 12.11899 2.923495  1.812480       0.8582205 1.506778       1.245382  2.088945       1.184332  -1.569118      5.846990  
1 1 1 40 5  3  o 9.266142 2.268811  0.8564188      0.6328436 -0.8325998     1.155968  1.579284       0.7562360 -4.698835      4.537622  
1 1 1 40 5  4  o 6.725433 2.171324  -0.2702718     0.6139772 -0.5368702     1.108343  -0.1522396     0.7374717 0.7810640      4.342649  
1 1 1 40 5  5  o 8.929487 3.018592  -1.124970      1.407808  -1.184425      1.715879  -1.002521      2.462468  -1.639662      6.037185  
1 1 1 40 5  6  o 9.253775 3.078278  -0.8811864     1.400335  0.3681785      2.300263  -1.616840      1.765102  2.809981       6.156557  
1 1 1 40 5  7  o 10.55088 3.301346  1.041610       1.405987  0.8691659E-01  2.313729  1.600536       1.770344  -1.261840      6.602693  
1 1 1 40 6  0  f 9.944170 4.246628  1.248738       0.8822603 2.628589       3.570729  1.159022       0.9104902 0.000000       0.000000  
1 1 1 40 6  1  o 7.494031 2.296727  0.1028842      0.6332778 0.2602324      0.9437294 -0.2600699E-01 0.8541380 0.8692713      4.593454  
1 1 1 40 6  2  o 8.727772 2.589837  0.1930666      0.8371671 -0.8718990     1.214842  1.156148       1.155270  -3.318848      5.179675  
1 1 1 40 6  3  o 7.757337 2.381677  -0.5907558E-01 0.6250736 0.7833473      1.187829  -0.3817006     0.7350857 3.681738       4.763353  
1 1 1 40 6  4  o 7.008758 2.392491  -1.014286      0.7202514 -0.3273787     1.676020  -1.169875      0.7976621 3.795916       4.784983  
1 1 1 40 6  5  o 9.492464 3.051039  -0.2520645E-01 1.274304  0.3598211      1.697042  -0.5229585     1.929537  0.5567579      6.102078  
1 1 1 40 6  6  o 11.20339 3.377598  1.238235       1.258899  1.739700       2.234390  1.005015       1.523776  1.714385       6.755197  
1 1 1 40 6  7  o 10.13100 4.391240  0.000000       0.000000  ?              ?         0.9824538      1.643604  ?              ?         
1 1 1 40 7  0  o 7.086965 3.560060  0.1321400      0.7859496 -1.615831      4.182297  0.1961295      0.8002064 0.000000       0.000000  
1 1 1 40 7  1  o 11.61736 2.525178  1.617710       0.6426421 1.572728       0.9400352 1.657180       0.8805452 -0.3230095     5.050356  
1 1 1 40 7  2  o 9.097081 2.747308  0.4254255      0.8923213 0.9725600E-01  1.269976  0.7454107      1.254040  -1.105827      5.494616  
1 1 1 40 7  3  o 9.283934 2.266767  0.7242581      0.5799110 1.684556       0.8611917 -0.7243998E-01 0.7844111 5.183242       4.533534  
1 1 1 40 7  4  o 8.540108 2.694503  -0.2964713     0.7280155 1.394076       1.700264  -0.6759897     0.8055992 5.588735       5.389006  
1 1 1 40 7  5  o 10.02257 2.750740  1.030152       0.7406886 1.031342       0.8723100 1.027078       1.402253  -0.6846952     5.501480  
1 1 1 40 7  6  o 8.917270 2.893670  -0.1287313     1.182322  -0.2355745     1.674175  -0.2242725E-01 1.669945  -0.2353592     5.787341  
1 1 1 40 7  7  o 11.51692 3.291451  1.641567       1.330573  -0.2914901     2.102401  2.933175       1.718536  -4.406559      6.582903  
1 1 1 40 8  0  o 8.107580 4.152060  -1.332164      1.026069  3.411998       4.042396  -1.658871      1.060811  0.000000       0.000000  
1 1 1 40 8  1  o 9.204639 2.534518  0.7906027      0.6682497 0.9542912      1.009203  0.6627970      0.8917532 0.9669132      5.069035  
1 1 1 40 8  2  o 8.073918 2.597393  -0.3710312     0.9372778 0.1641907      1.310609  -0.9313068     1.340933  1.350502       5.194785  
1 1 1 40 8  3  o 10.77925 2.524418  1.379447       0.6480466 1.660597       0.8684899 1.026262       0.9734105 1.964277       5.048835  
1 1 1 40 8  4  o 8.185450 2.231400  0.3235203      0.5841056 1.266336       0.8585176 -0.4890358     0.7970077 4.400712       4.462799  
1 1 1 40 8  5  o 9.210557 2.780045  0.3871494      0.7301729 0.1722845      0.8125618 1.288424       1.664187  -3.859594      5.560090  
1 1 1 40 8  6  f 9.162743 2.905631  0.6111513E-01  1.134065  1.229760       1.661206  -0.9589014     1.551979  2.907756       5.811262  
1 1 1 40 8  7  o 11.31899 3.244562  0.3647777      1.259657  4.171873       2.137566  -1.660687      1.559140  8.430587       6.489123  
1 1 1 40 9  0  o 6.029078 3.260581  -1.128880      0.8443632 -2.255124      4.003065  -1.076439      0.8637975 0.000000       0.000000  
1 1 1 40 9  1  o 7.493918 2.302424  -0.7482129E-01 0.6922320 -1.053477      1.083278  0.6006119      0.8999454 -2.167745      4.604848  
1 1 1 40 9  2  o 11.50708 2.966382  1.461778       0.9546290 2.444933       1.349810  0.4779272      1.350288  4.376206       5.932764  
1 1 1 40 9  3  o 6.879829 2.192392  -0.3136472     0.6295108 -0.6703262     0.8089024 0.2341227      1.002436  -2.223709      4.384784  
1 1 1 40 9  4  o 11.02787 2.319558  1.462070       0.8105291 2.665743       0.9137596 -2.980428      1.755462  8.195023       4.639115  
1 1 1 40 9  5  o 8.992300 2.674284  0.1035292      0.6871033 -0.3208458     0.7694705 1.773494       1.526408  -5.724563      5.348569  
1 1 1 40 9  6  o 9.566963 2.948520  0.7005868      0.8180836 0.6324276      0.8845560 1.103633       2.151002  -2.408471      5.897040  
1 1 1 40 10 0  o 6.621806 3.337069  -0.1504276     0.8979159 -2.099331      3.632699  -0.2360947E-01 0.9266698 0.000000       0.000000  
1 1 1 40 10 1  o 9.081928 2.514113  0.6947182      0.6679510 1.187529       1.027348  0.3338503      0.8791272 2.430345       5.028226  
1 1 1 40 10 2  o 13.23707 2.832915  2.248499       0.8482863 2.835135       1.156352  1.564943       1.248226  3.711183       5.665831  
1 1 1 40 10 3  o 16.26885 2.189257  2.936594       0.6900780 2.248792       0.8938639 3.951315       1.085708  -5.053835      4.378514  
1 1 1 40 10 4  o 8.503863 2.845955  -0.2868449     0.8331344 -0.2897939     0.8869864 -0.2647471     2.428018  -3.654598      5.691909  
1 1 1 40 10 5  o 7.794086 2.596107  -0.7138788     0.9731301 -0.9336018     1.191081  -0.2727565     1.687653  -1.998943      5.192214  
1 1 1 40 10 6  o 10.54317 3.119016  0.7694064      1.210608  -0.9030872     1.655653  2.690961       1.774653  -5.185769      6.238033  
1 1 1 40 11 0  o 6.981050 3.455762  -0.1185788     0.9020525 0.3994130      3.022442  -0.1692297     0.9451268 0.000000       0.000000  
1 1 1 40 11 1  o 6.314273 2.081366  -0.6005555     0.6489892 -0.4768769     0.8930025 -0.7389996     0.9448055 0.1667705      4.162733  
1 1 1 40 11 2  o 7.146780 2.231832  -0.2935571E-01 0.6222367 -0.1796844     0.8319930 0.1614560      0.9373487 -1.010991      4.463664  
1 1 1 40 11 3  o 11.19367 2.505325  1.508446       0.6534014 1.013128       0.9650982 1.927624       0.8878284 -2.916944      5.010650  
1 1 1 40 11 4  o 14.47742 3.379079  2.518359       0.9615247 2.518359       0.9615247 ?              ?         ?              ?         
1 1 1 40 11 5  o 11.98621 3.111557  1.745359       1.103985  3.332039       1.577837  0.2236105      1.545216  6.012835       6.223115  
1 1 1 40 11 6  o 10.67865 3.424452  0.8577732      1.631985  -0.4803659     2.606803  1.720291       2.092867  -1.646603      6.848904  
1 1 1 40 12 0  o 5.281738 3.521394  -0.6460088E-01 0.9678962 -0.6460088E-01 0.9678962 -0.6460088E-01 0.9678962 0.000000       0.000000  
1 1 1 40 12 1  o 7.884063 2.458247  0.3139097E-01  0.7105495 0.4321556      1.245144  -0.1621410     0.8652693 2.164338       4.916494  
1 1 1 40 12 2  o 13.37597 2.386747  2.129447       0.6597232 1.425711       0.9095995 2.910527       0.9582821 -4.893545      4.773495  
1 1 1 40 12 3  o 9.041643 2.398266  0.5168965      0.6884145 1.635090       0.9691907 -0.6217144     0.9779992 5.054029       4.796533  
1 1 1 40 12 4  o 10.37269 2.878980  1.239835       0.8317452 1.375750       0.9544820 0.8109533      1.695518  0.4460707      5.757961  
1 1 1 40 12 5  o 8.823093 2.763556  0.3577251      0.9791289 0.7795470      1.205854  -0.4585977     1.677494  0.8176765      5.527112  
1 1 1 40 13 0  o 6.703533 4.057073  0.6177567      0.9797443 0.6177567      0.9797443 0.6177567      0.9797443 0.000000       0.000000  
1 1 1 40 13 1  o 6.644104 2.154230  -0.4275505     0.6611059 -0.8523457     1.015287  -0.1148561     0.8710822 -0.5499430     4.308461  
1 1 1 40 13 2  o 6.949404 2.188622  -0.2799533     0.6468274 -0.9781846     0.9254641 0.3868609      0.9044037 -2.167695      4.377243  
1 1 1 40 13 3  o 7.007743 2.237899  -0.2006111     0.6725981 -0.1582452E-01 0.9669651 -0.3738176     0.9361764 0.6860361      4.475798  
1 1 1 40 13 4  o 8.415339 2.662348  0.2664875      0.8267683 0.3789775      0.9408948 -0.1146619     1.731936  -0.9787545     5.324697  
1 1 1 40 13 5  o 9.717724 2.950757  0.8362180      1.028312  1.048972       1.517042  0.6553716      1.398665  0.7928381      5.901513  
1 1 1 40 14 0  o 6.759565 3.197208  0.2959070      0.8878642 -1.281193      2.661813  0.4933410      0.9418008 0.000000       0.000000  
1 1 1 40 14 1  o 8.891825 2.395899  0.5955601      0.6424667 1.439571       0.9483857 -0.1202746     0.8734085 4.020689       4.791797  
1 1 1 40 14 2  o 9.301413 2.544213  0.9076492      0.6739816 0.8538554      0.9553872 0.9609429      0.9509361 -0.2733841     5.088426  
1 1 1 40 14 3  o 5.722538 1.999381  -1.745395      0.7566632 -1.816618      0.9309556 -1.606760      1.298839  -1.437850      3.998763  
1 1 1 40 14 4  o 8.461845 2.663587  -0.1535787     0.8027812 -0.7025441     0.9312067 1.435121       1.584144  -4.709376      5.327174  
1 1 1 40 15 0  o 6.064614 3.008077  -0.2708263     0.9423224 -1.676269      2.641223  -0.6583692E-01 1.008705  0.000000       0.000000  
1 1 1 40 15 1  o 7.409463 2.282023  0.1146455      0.6282679 -0.1296127     0.8204601 0.4609165      0.9768794 -1.632683      4.564046  
1 1 1 40 15 2  o 10.61131 2.745404  1.309698       0.7471793 1.978535       1.227094  0.9156051      0.9419265 2.855417       5.490808  
1 1 1 40 15 3  o 6.040075 2.037223  -0.9225488     0.6955595 -0.6234714     0.9482485 -1.270897      1.023382  0.4533348      4.074446  
1 1 1 40 15 4  o 7.826577 2.579829  -0.3868018     0.9498653 -0.2873315     1.158669  -0.5906464     1.658678  -0.8595433     5.159659  
1 1 1 40 16 0  o 9.053124 4.062470  0.6350472      1.268976  3.518561       2.728354  -0.1609125     1.433459  0.000000       0.000000  
1 1 1 40 16 1  o 8.749808 2.632281  0.4982340      0.7849966 1.048603       1.282258  0.1683121      0.9927820 2.216239       5.264562  
1 1 1 40 16 2  o 8.459238 2.408924  0.5016404      0.6747591 1.237032       0.9594510 -0.2180296     0.9491397 3.203298       4.817849  
1 1 1 40 16 3  o 8.006037 2.548929  0.9630532E-01  0.8066957 0.1846046      0.9583561 -0.1183528     1.494246  -0.8444338     5.097858  
1 1 1 40 17 0  o 6.569689 3.317826  -0.5869234     0.9681942 0.7929793      2.806632  -0.7733155     1.031514  0.000000       0.000000  
1 1 1 40 17 1  o 10.12659 2.627284  1.240602       0.7014015 1.024094       0.9644490 1.483676       1.021906  -1.289711      5.254569  
1 1 1 41 0  1  f 6.800418 3.167279  -0.4080104E-01 1.086194  -0.9069231     1.486822  0.9505073      1.590648  0.000000       0.000000  
1 1 1 41 0  2  o 7.424984 3.317386  -0.1960062     1.070548  -1.495641      1.361070  1.912426       1.733603  0.000000       0.000000  
1 1 1 41 0  3  o 7.393993 3.340197  0.4785185      1.027104  0.1116340      1.292938  1.106072       1.690981  0.000000       0.000000  
1 1 1 41 0  4  o 9.384756 4.093979  1.117734       1.731157  -1.992745      2.909105  2.823155       2.154078  0.000000       0.000000  
1 1 1 41 0  5  o 8.775934 4.078812  0.9604747      1.823762  -0.4269865     2.770615  2.021310       2.422645  0.000000       0.000000  
1 1 1 41 0  6  o 6.136666 3.137609  -2.899350      1.682552  -5.336518      2.311989  -0.1552274     2.453267  0.000000       0.000000  
1 1 1 41 1  0  o 7.156816 3.255131  0.4820425      1.032747  -0.6805211E-01 1.796841  0.7534083      1.262026  0.000000       0.000000  
1 1 1 41 1  1  o 8.164473 2.517118  0.1544243      0.7878241 -0.2879202     1.188159  0.5014912      1.052448  -0.9764204     5.034236  
1 1 1 41 1  2  o 8.142594 2.499012  0.6095598E-01  0.7803146 0.7306556      1.128889  -0.5517772     1.079809  2.332640       4.998025  
1 1 1 41 1  3  o 8.346583 2.511248  0.2486522      0.7507196 -0.2494867     1.029462  0.8144194      1.097120  -2.201124      5.022495  
1 1 1 41 1  4  o 9.533943 2.899597  0.4346305      1.079982  -1.037192      1.723028  1.387037       1.386040  -2.730082      5.799194  
1 1 1 41 1  5  o 8.851497 2.871703  -0.2317143E-01 1.167181  0.3880977      1.611130  -0.4774147     1.693214  0.8326588      5.743406  
1 1 1 41 1  6  o 8.044802 2.770815  -1.813856      1.366600  -2.585799      1.765558  -0.6601415     2.158431  -2.111011      5.541631  
1 1 1 41 2  0  o 6.433467 3.094250  -0.2265655     1.128294  -1.113064      2.049004  0.1592165      1.351683  0.000000       0.000000  
1 1 1 41 2  1  o 8.216720 2.527361  0.1818105      0.7789845 0.4737476      1.142058  -0.7217897E-01 1.065249  1.176060       5.054722  
1 1 1 41 2  2  o 8.709101 2.535589  0.3563561      0.7703736 -0.5235804     1.104558  1.189811       1.074989  -3.219358      5.071177  
1 1 1 41 2  3  o 7.375565 2.308253  0.3518511E-01  0.6387706 -0.2477182     1.160341  0.1581997      0.7651473 0.5773807      4.616505  
1 1 1 41 2  4  o 8.098900 2.683095  -1.066502      1.087877  0.4712075      1.690074  -2.154354      1.421523  3.273379       5.366190  
1 1 1 41 2  5  o 9.562755 2.967529  0.5576373E-01  1.154282  -1.423234      1.523367  2.049704       1.768792  -4.749031      5.935059  
1 1 1 41 3  0  o 11.52453 3.803588  0.7814858      1.127715  5.131796       2.206640  -0.7563729     1.311987  0.000000       0.000000  
1 1 1 41 3  1  o 7.741443 2.426692  -0.3712016     0.8095650 0.7203192      1.139342  -1.484277      1.150536  3.119994       4.853383  
1 1 1 41 3  2  o 8.007629 2.450135  0.2450773      0.6765088 0.1567725      1.234232  0.2830011      0.8088353 0.9718733      4.900269  
1 1 1 41 3  3  o 8.276334 2.379796  0.1634161      0.6134813 1.292496       1.085163  -0.3669509     0.7437392 4.636063       4.759592  
1 1 1 41 3  4  o 9.378802 2.916732  0.3534641      1.110512  -0.7378005     1.746005  1.094825       1.439114  -1.867659      5.833464  
1 1 1 41 3  5  o 8.917254 3.058011  -1.035598      1.380643  0.1204415      2.826972  -1.397701      1.582163  3.128629       6.116023  
1 1 1 41 4  0  o 9.192229 3.127892  1.479139       0.8981623 -1.476573      2.088126  2.150114       0.9948986 0.000000       0.000000  
1 1 1 41 4  1  o 6.657214 2.171137  -0.4925148     0.6830489 -1.675898      1.239037  0.2412877E-01  0.8186853 -0.6664658     4.342273  
1 1 1 41 4  2  o 8.579834 2.528677  0.4572763      0.6594768 0.7714602      1.235661  0.3321407      0.7798261 2.053801       5.057353  
1 1 1 41 4  3  o 7.653695 2.330389  0.2020479      0.6254544 0.2878596      1.036305  0.1528795      0.7844355 1.050243       4.660779  
1 1 1 41 4  4  o 9.232126 2.895976  0.4064387      1.032956  0.4822381      1.719336  0.3636262      1.292149  0.9245310      5.791952  
1 1 1 41 4  5  o 9.025320 2.888129  0.1102982E-02  1.186686  1.072448       1.572734  -1.415150      1.808261  2.340286       5.776258  
1 1 1 41 5  0  o 10.25734 3.654043  1.958164       1.030971  -0.6761675     2.972177  2.318485       1.099220  0.000000       0.000000  
1 1 1 41 5  1  o 10.92057 2.607293  1.466032       0.7256609 0.5607780      1.269845  1.905007       0.8842702 -3.313789      5.214586  
1 1 1 41 5  2  o 10.00425 2.665668  0.9811950      0.7176951 1.576524       1.167504  0.6195759      0.9099251 2.786086       5.331336  
1 1 1 41 5  3  o 7.653781 2.414370  -0.7721932E-01 0.7608014 0.2513858      1.064516  -0.4203135     1.087731  1.009846       4.828739  
1 1 1 41 5  4  o 7.801118 2.619903  -1.076278      1.087518  -0.4813442E-01 1.695146  -1.795442      1.417732  2.312912       5.239807  
1 1 1 41 5  5  o 9.348560 2.844179  -0.3592331E-01 1.134995  -2.440279      1.682392  1.972423       1.537613  -4.950105      5.688359  
1 1 1 41 6  0  o 7.286043 3.324765  0.5343010      1.013609  -3.127131      3.115728  0.9676664      1.071917  0.000000       0.000000  
1 1 1 41 6  1  o 7.306633 2.128458  -0.4029801     0.6295447 -1.973286      0.9070688 1.056413       0.8744485 -4.903559      4.256917  
1 1 1 41 6  2  o 6.517079 2.101693  -0.4938024     0.6114017 -0.9879387     0.8062801 0.1747838      0.9378671 -2.333265      4.203386  
1 1 1 41 6  3  o 9.036970 2.395488  0.8006621      0.6494386 -0.1247626     1.055577  1.364319       0.8238094 -3.182845      4.790977  
1 1 1 41 6  4  o 10.89027 3.095480  1.491032       1.018583  1.330287       1.717589  1.578229       1.265037  -0.2607651     6.190960  
1 1 1 41 6  5  o 8.861473 2.894908  -0.1613871     1.217511  -0.8232455     1.749563  0.4600945      1.695357  -1.261716      5.789816  
1 1 1 41 7  0  o 7.290026 3.534286  0.2006598      0.8602186 0.4830033      3.077173  0.1767250      0.8959383 0.000000       0.000000  
1 1 1 41 7  1  o 6.203745 2.052730  -0.6476750     0.6326099 -0.7586575     0.8400019 -0.5022476     0.9615595 -0.8391509     4.105461  
1 1 1 41 7  2  o 8.658402 2.441707  0.6665814      0.6336601 0.6216395      0.8628876 0.7191840      0.9335380 -0.3944988     4.883414  
1 1 1 41 7  3  o 7.016669 2.192899  -0.5089412E-01 0.6075243 -0.3540024     0.8086716 0.3418298      0.9204857 -1.674496      4.385798  
1 1 1 41 7  4  o 10.71464 3.328441  1.126611       1.372809  0.5582053      1.845443  1.830874       2.054180  -1.808906      6.656883  
1 1 1 41 7  5  o 10.16904 3.245998  0.6958938      1.309538  1.083232       2.392905  0.5302932      1.564629  1.550242       6.491997  
1 1 1 41 8  0  o 10.63030 4.323698  1.686294       0.9901203 2.983982       3.434834  1.568694       1.034011  0.000000       0.000000  
1 1 1 41 8  1  o 8.736672 2.433192  0.6154804      0.6350230 0.2166185      0.8402909 1.146604       0.9696531 -2.608736      4.866385  
1 1 1 41 8  2  f 8.621397 2.394478  0.5311239      0.6461909 -0.1213518     0.8791425 1.297877       0.9530266 -3.528316      4.788955  
1 1 1 41 8  3  o 7.416372 2.138252  0.4336931E-01  0.6042460 1.024783       0.7974458 -1.279816      0.9259455 3.915782       4.276503  
1 1 1 41 8  4  o 9.208184 3.030724  0.2597558      1.031802  0.3792431      1.101966  -0.5899316     2.938575  -1.835815      6.061449  
1 1 1 41 9  0  o 12.39115 4.546135  2.161098       0.9516236 4.640450       3.467348  1.959129       0.9896246 0.000000       0.000000  
1 1 1 41 9  1  o 7.234207 2.278003  -0.2388773E-01 0.6655803 0.9218073E-02  0.9027935 -0.6330772E-01 0.9851325 -0.1331692     4.556005  
1 1 1 41 9  2  o 10.53037 2.513087  1.310592       0.6820838 2.037112       0.9567728 0.5597636      0.9726474 4.219324       5.026175  
1 1 1 41 9  3  o 11.01247 2.686277  1.649553       0.7465562 1.943419       0.8467181 0.6232371      1.582358  2.940883       5.372554  
1 1 1 41 9  4  o 8.930860 2.777810  0.2456969      1.055578  1.175722       1.258860  -1.956875      1.937292  2.350131       5.555619  
1 1 1 41 10 0  f 4.195693 2.971100  -0.8126675     0.9482664 -0.8126675     0.9482664 -0.8126675     0.9482664 0.000000       0.000000  
1 1 1 41 10 1  o 9.286965 2.670881  0.8612459      0.7635967 0.7953753      1.259822  0.8994979      0.9600434 0.2073822      5.341762  
1 1 1 41 10 2  o 6.862906 2.183986  -0.2787876     0.6584515 -0.9591777     0.9353724 0.3895708      0.9270652 -2.082235      4.367972  
1 1 1 41 10 3  o 12.99312 3.055291  2.335862       0.8626125 2.324747       0.9745935 2.376064       1.853482  1.001964       6.110581  
1 1 1 41 11 0  o 4.797436 3.292799  -0.3352442     0.9653266 -0.3352442     0.9653266 -0.3352442     0.9653266 0.000000       0.000000  
1 1 1 41 11 1  o 6.329382 2.085940  -0.5256576     0.6520914 -0.2279322     0.9054452 -0.8464819     0.9399133 0.7301679      4.171880  
1 1 1 41 11 2  o 9.951556 2.590618  1.198606       0.6794679 1.243834       0.9516215 1.151569       0.9704814 0.2509117      5.181237  
1 1 1 41 11 3  o 10.17044 2.858219  0.7457326      0.8038101 0.1281895      0.9358694 2.482478       1.569458  -5.509729      5.716438  
1 1 1 41 12 0  o 5.926304 3.058713  -0.7774528     0.9698815 -1.519399      3.089756  -0.6963543     1.021514  0.000000       0.000000  
1 1 1 41 12 1  o 10.91751 2.347471  1.413699       0.6340094 2.357482       0.8980169 0.4757459      0.8952388 5.799813       4.694941  
1 1 1 41 12 2  o 8.275687 2.405834  0.5316402      0.6509551 0.1900131      0.9092573 0.8908454      0.9323564 -1.643604      4.811667  
1 1 1 41 13 0  o 6.261075 3.109082  -0.2342015     1.032814  -2.490020      3.059050  0.5602485E-01  1.097243  0.000000       0.000000  
1 1 1 42 0  0  o 8.766831 5.914126  -0.1326950     2.898962  -0.1326950     2.898962  -0.1326950     2.898962  0.000000       0.000000  
1 1 1 42 0  1  o 7.467001 3.407398  0.6491699      1.079041  0.4707869      1.323100  1.003440       1.864591  0.000000       0.000000  
1 1 1 42 0  2  f 7.750294 3.270177  0.4260076      1.107091  2.042777       1.430278  -1.990439      1.748578  0.000000       0.000000  
1 1 1 42 1  0  o 8.575039 5.762916  0.7764324      2.706043  0.7764324      2.706043  0.7764324      2.706043  0.000000       0.000000  
1 1 1 42 1  1  o 6.771821 2.265575  -0.7533030     0.8100997 -0.9815728     1.207020  -0.5661958     1.092787  -0.1113939     4.531150  
1 1 1 42 1  2  f 8.559959 2.607861  0.4454742      0.8135948 0.7234661      1.178863  0.1926335      1.124271  1.064702       5.215723  
1 1 1 42 2  0  o 8.079905 3.705838  0.8777094      1.364736  -0.3739455     2.763853  1.281287       1.569408  0.000000       0.000000  
1 1 1 42 2  1  o 7.651073 2.459645  -0.1415070     0.8226697 0.1307873      1.219344  -0.3690152     1.114565  0.9911208      4.919290  
1 1 1 42 2  2  o 7.565963 2.350717  0.1867417      0.6542150 0.7280039E-01  1.161818  0.2396441      0.7916529 0.7173185      4.701434  
1 1 1 42 3  0  o 6.303537 3.142053  -0.6986350     1.042706  0.5548162      2.311975  -1.018691      1.168268  0.000000       0.000000  
1 1 1 42 3  1  o 7.900611 2.479610  0.5811844E-01  0.6917917 0.7586609      1.341845  -0.1954895     0.8073587 3.005495       4.959220  
1 1 1 42 3  2  o 8.099554 2.241244  0.3141889      0.6715696 -1.773090      1.186651  1.297722       0.8145682 -4.311530      4.482487  
1 1 1 42 4  0  o 6.833181 3.302465  0.3552043      0.8362309 -1.894569      3.505579  0.4909466      0.8610889 0.000000       0.000000  
1 1 1 42 4  1  o 10.40686 2.717087  1.228881       0.7078404 1.846647       1.256731  0.9418424      0.8566449 2.508563       5.434175  
1 1 1 42 4  2  o 8.699648 2.513050  0.7076494      0.6750042 0.4342558      1.213341  0.8301862      0.8123099 -0.1449385     5.026099  
1 1 1 42 5  0  o 11.29723 3.872720  2.212445       0.8812267 1.672369       3.554065  2.247823       0.9096317 0.000000       0.000000  
1 1 1 42 5  1  o 7.321897 2.216954  0.2221688      0.5898268 0.4952357      0.8079107 -0.8948259E-01 0.8631043 1.076356       4.433908  
# 
#END OF REFLECTIONS
